==== 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 1H9X . COMPND 2 MOLECULE: CYTOCHROME CD1 NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS PANTOTROPHUS; . AUTHOR T.SJOGREN,J.HAJDU . 1055 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 715 67.8 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 31.8 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 . 93 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 11.7 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 5 4 0 3 0 0 1 1 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 42 A A 0 0 145 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 132.3 103.3 16.5 187.8 2 43 A P - 0 0 104 0, 0.0 3,-0.1 0, 0.0 45,-0.1 -0.461 360.0 -84.7 -68.9 137.7 104.4 19.9 189.0 3 44 A E - 0 0 138 1,-0.1 2,-0.5 -2,-0.1 46,-0.0 0.018 49.5 -95.9 -47.8 149.4 108.1 20.3 189.7 4 45 A G - 0 0 75 -3,-0.1 2,-0.8 1,-0.1 -1,-0.1 -0.558 26.4-146.8 -76.6 119.4 109.5 19.2 193.0 5 46 A V - 0 0 49 -2,-0.5 -1,-0.1 -3,-0.1 79,-0.0 -0.763 30.0-124.2 -91.3 105.4 110.1 21.9 195.6 6 47 A S - 0 0 68 -2,-0.8 -1,-0.1 1,-0.0 81,-0.1 0.096 14.1-111.0 -49.6 157.2 113.2 20.9 197.5 7 48 A A - 0 0 93 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.974 30.2-158.0 -55.9 -87.4 113.5 20.3 201.3 8 49 A L - 0 0 30 4,-0.0 73,-0.0 5,-0.0 0, 0.0 0.701 18.4-119.2 93.1 110.9 115.6 23.0 203.1 9 50 A S > - 0 0 60 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.196 31.0-103.0 -67.7 167.7 117.3 22.3 206.4 10 51 A D H > S+ 0 0 137 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.893 123.6 49.4 -60.0 -43.6 116.4 24.3 209.5 11 52 A A H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.936 111.8 48.3 -62.8 -46.5 119.6 26.3 209.2 12 53 A Q H > S+ 0 0 75 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.921 113.0 48.0 -60.1 -45.5 119.0 27.0 205.5 13 54 A Y H X S+ 0 0 59 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.884 112.0 49.2 -62.6 -41.9 115.5 28.1 206.2 14 55 A N H X S+ 0 0 103 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.917 113.0 48.2 -63.3 -40.4 116.7 30.3 209.1 15 56 A E H X S+ 0 0 73 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.938 112.6 47.6 -64.5 -46.4 119.3 31.8 206.8 16 57 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.911 111.1 52.0 -60.8 -44.1 116.8 32.4 204.0 17 58 A N H X S+ 0 0 36 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.873 106.8 51.8 -60.9 -43.6 114.3 34.0 206.4 18 59 A K H X S+ 0 0 134 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.950 112.2 47.1 -60.9 -47.5 116.9 36.4 207.8 19 60 A I H X>S+ 0 0 16 -4,-2.2 4,-3.8 1,-0.2 5,-0.6 0.954 110.1 53.8 -58.3 -49.2 117.8 37.5 204.2 20 61 A Y H X>S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 5,-2.2 0.941 115.2 37.1 -52.6 -56.9 114.1 37.8 203.3 21 62 A F H <5S+ 0 0 14 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.806 122.4 44.8 -68.4 -30.7 113.1 40.2 206.2 22 63 A E H <5S+ 0 0 77 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.892 132.3 12.4 -81.7 -39.2 116.4 42.1 206.1 23 64 A R H <5S+ 0 0 84 -4,-3.8 -3,-0.2 -5,-0.2 -2,-0.2 0.568 129.5 34.5-120.1 -6.4 116.7 42.6 202.3 24 65 A C T >X< - 0 0 6 -4,-2.4 3,-1.2 -5,-0.3 -3,-0.1 0.246 20.3 -94.2 94.0 144.6 106.2 43.0 201.9 30 71 A V T 3 S+ 0 0 11 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.801 131.2 37.9 -65.7 -25.0 106.5 41.2 205.2 31 72 A L T 3 S- 0 0 62 -6,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.254 118.2-113.9-107.1 10.3 103.8 38.7 204.2 32 73 A R S < S+ 0 0 2 -3,-1.2 8,-3.0 1,-0.1 9,-0.4 0.689 79.1 127.1 64.4 26.6 105.1 38.7 200.6 33 74 A K S S- 0 0 153 6,-0.3 6,-0.4 1,-0.2 -4,-0.2 0.423 72.2-106.1 -94.0 3.8 102.0 40.4 199.1 34 75 A G - 0 0 28 -6,-2.9 -6,-0.2 4,-0.3 -1,-0.2 0.108 39.4-175.3 95.0 155.7 104.0 43.1 197.3 35 76 A A S S- 0 0 47 2,-1.7 -8,-0.1 -8,-1.3 -7,-0.1 -0.138 89.6 -17.6-148.7-101.3 104.8 46.8 197.7 36 77 A T S S+ 0 0 60 -10,-0.3 2,-0.2 -2,-0.1 -8,-0.1 0.820 138.9 62.2 -80.6 -25.4 106.9 48.3 195.0 37 78 A G S S- 0 0 17 -10,-2.8 -2,-1.7 1,-0.1 3,-0.1 -0.631 101.3 -90.8 -93.8 156.0 107.9 44.7 194.2 38 79 A K - 0 0 161 -2,-0.2 -4,-0.3 -4,-0.2 -1,-0.1 -0.092 47.3 -90.4 -63.0 156.2 105.5 42.0 193.0 39 80 A A - 0 0 29 -6,-0.4 -6,-0.3 -5,-0.1 -1,-0.1 -0.459 34.4-167.7 -62.4 142.1 103.7 39.6 195.4 40 81 A L + 0 0 25 -8,-3.0 -7,-0.2 -12,-0.3 -1,-0.1 -0.142 31.8 144.1-127.0 33.6 105.8 36.5 195.9 41 82 A T >> - 0 0 28 -9,-0.4 4,-2.3 1,-0.1 3,-1.8 -0.451 62.4-111.8 -71.2 153.0 103.2 34.3 197.6 42 83 A P H 3> S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 5,-0.4 0.774 113.9 67.8 -65.8 -23.6 103.4 30.6 196.7 43 84 A D H 34 S+ 0 0 116 1,-0.2 4,-0.2 2,-0.2 44,-0.0 0.808 115.8 31.9 -61.6 -28.4 100.1 30.5 194.7 44 85 A L H <> S+ 0 0 83 -3,-1.8 4,-1.2 2,-0.1 3,-0.3 0.847 120.5 48.2 -92.4 -46.8 102.1 32.8 192.3 45 86 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 41,-0.2 -2,-0.2 0.843 102.4 59.3 -70.0 -34.8 105.7 31.5 192.7 46 87 A R H < S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.2 4,-0.1 0.864 107.3 50.0 -62.9 -33.4 105.1 27.8 192.4 47 88 A D H 4 S+ 0 0 146 -5,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.828 110.4 48.7 -67.3 -38.3 103.6 28.5 188.9 48 89 A L H < S- 0 0 78 -4,-1.2 4,-0.4 2,-0.0 -2,-0.2 0.943 105.9-153.6 -66.9 -45.9 106.7 30.6 188.0 49 90 A G X - 0 0 12 -4,-2.8 4,-2.0 1,-0.1 3,-0.5 0.143 26.0 -70.0 88.7 158.6 108.9 27.8 189.2 50 91 A F H > S+ 0 0 45 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.848 125.3 53.7 -49.2 -52.0 112.5 27.6 190.6 51 92 A D H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 110.4 47.1 -56.9 -45.5 114.4 28.4 187.4 52 93 A Y H > S+ 0 0 94 -3,-0.5 4,-2.1 -4,-0.4 -1,-0.2 0.894 114.4 46.8 -62.9 -44.5 112.4 31.6 186.8 53 94 A L H X S+ 0 0 7 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.929 111.9 50.7 -64.4 -47.2 112.8 32.8 190.4 54 95 A Q H X S+ 0 0 60 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.899 110.7 49.8 -55.1 -43.9 116.6 31.9 190.4 55 96 A S H X S+ 0 0 55 -4,-2.1 4,-2.7 -5,-0.2 5,-0.4 0.925 111.6 47.6 -63.3 -46.6 117.0 33.9 187.1 56 97 A F H X S+ 0 0 76 -4,-2.1 4,-2.2 1,-0.2 12,-0.2 0.903 114.2 45.9 -62.2 -42.0 115.2 37.0 188.5 57 98 A I H < S+ 0 0 13 -4,-2.4 12,-1.4 2,-0.2 11,-0.4 0.864 115.5 48.4 -71.4 -34.6 117.1 37.0 191.7 58 99 A T H < S+ 0 0 31 -4,-2.2 12,-2.6 -5,-0.3 11,-0.3 0.968 128.2 19.7 -67.7 -51.2 120.4 36.5 189.8 59 100 A Y H < S- 0 0 152 -4,-2.7 8,-0.2 -5,-0.2 -2,-0.2 0.612 89.3-154.3 -99.6 -16.5 120.0 39.2 187.2 60 101 A G < - 0 0 13 -4,-2.2 -1,-0.2 -5,-0.4 7,-0.1 -0.114 21.9 -97.3 69.3-167.4 117.3 41.6 188.6 61 102 A S B >> -A 65 0A 33 4,-2.4 3,-1.4 -4,-0.1 4,-1.0 -0.996 14.9-119.5-149.9 149.7 115.2 43.6 186.3 62 103 A P T 34 S+ 0 0 63 0, 0.0 422,-0.7 0, 0.0 423,-0.2 0.612 104.4 77.3 -67.6 -10.4 115.3 47.2 185.0 63 104 A A T 34 S- 0 0 87 420,-0.1 -3,-0.0 421,-0.1 420,-0.0 0.356 128.5 -76.5 -82.0 9.9 111.9 47.9 186.6 64 105 A G T <4 S+ 0 0 26 -3,-1.4 93,-0.1 1,-0.3 -28,-0.0 0.539 90.3 128.9 115.3 3.5 113.6 48.2 190.1 65 106 A M B < -A 61 0A 41 -4,-1.0 -4,-2.4 -6,-0.0 -1,-0.3 -0.846 59.8-121.5 -92.5 115.7 114.5 44.6 191.2 66 107 A P - 0 0 16 0, 0.0 2,-1.6 0, 0.0 -6,-0.3 -0.163 14.7-117.7 -55.2 151.1 118.1 44.5 192.2 67 108 A N > + 0 0 45 -8,-0.2 4,-2.1 1,-0.2 6,-0.4 -0.563 41.0 175.0 -87.8 74.6 120.5 42.1 190.5 68 109 A W T 4>S+ 0 0 17 -2,-1.6 6,-2.5 -11,-0.4 5,-0.8 0.840 73.5 36.1 -51.6 -47.9 121.3 40.1 193.7 69 110 A G T >45S+ 0 0 21 -12,-1.4 3,-1.8 -11,-0.3 -11,-0.2 0.962 119.6 45.0 -76.0 -50.9 123.5 37.5 192.1 70 111 A T T 345S+ 0 0 89 -12,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.693 112.6 53.2 -69.8 -16.5 125.3 39.5 189.4 71 112 A S T 3<5S- 0 0 45 -4,-2.1 -1,-0.3 -13,-0.3 -2,-0.2 0.488 109.4-125.7 -90.5 -6.5 126.0 42.3 191.9 72 113 A G T < 5S+ 0 0 54 -3,-1.8 -3,-0.2 2,-0.3 -2,-0.1 0.589 77.7 123.0 70.0 11.5 127.6 39.8 194.3 73 114 A E S - 0 0 57 -2,-0.4 4,-2.6 -3,-0.1 5,-0.2 -0.250 34.4 -99.3 -72.5 171.3 126.3 34.3 196.5 76 117 A A H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.923 126.7 48.8 -59.5 -44.0 125.2 31.6 194.1 77 118 A E H > S+ 0 0 137 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.905 110.4 50.9 -62.8 -41.9 124.2 29.4 197.0 78 119 A Q H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.899 107.5 54.0 -64.1 -38.8 122.2 32.3 198.6 79 120 A V H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.935 111.4 43.8 -60.6 -47.3 120.4 32.9 195.3 80 121 A D H X S+ 0 0 58 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.906 111.1 56.4 -66.3 -38.8 119.3 29.3 195.1 81 122 A L H X S+ 0 0 8 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.925 109.4 45.2 -54.9 -48.5 118.4 29.4 198.8 82 123 A M H X S+ 0 0 5 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.878 110.6 52.7 -67.1 -39.0 116.1 32.4 198.2 83 124 A A H X S+ 0 0 0 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.936 112.3 46.8 -62.1 -41.1 114.5 30.8 195.1 84 125 A N H >< S+ 0 0 24 -4,-2.7 3,-1.4 1,-0.2 4,-0.5 0.950 110.1 53.1 -65.4 -43.8 113.7 27.7 197.2 85 126 A Y H >< S+ 0 0 1 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.862 101.8 59.0 -59.9 -38.0 112.4 29.8 200.1 86 127 A L H 3< S+ 0 0 11 -4,-2.1 -1,-0.3 1,-0.3 -41,-0.2 0.660 97.5 60.6 -67.4 -17.5 109.9 31.6 197.9 87 128 A L T << S+ 0 0 8 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.587 97.3 78.8 -81.5 -13.5 108.3 28.3 196.9 88 129 A L S < S- 0 0 41 -3,-1.5 3,-0.1 -4,-0.5 -43,-0.1 -0.462 97.8 -81.9 -94.0 161.9 107.4 27.8 200.6 89 130 A D - 0 0 123 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.323 60.6 -85.5 -62.8 144.9 104.6 29.3 202.6 90 131 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -59,-0.1 -0.273 45.1-127.1 -54.7 131.0 105.1 32.8 203.9 91 132 A A - 0 0 15 1,-0.1 0, 0.0 -3,-0.1 0, 0.0 -0.330 33.2 -89.7 -72.6 162.5 106.9 32.9 207.3 92 133 A A - 0 0 83 1,-0.1 -1,-0.1 -2,-0.1 -61,-0.1 -0.524 49.8-109.2 -72.0 126.8 105.5 34.8 210.3 93 134 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.399 37.3-128.2 -61.6 131.5 106.8 38.4 210.2 94 135 A P - 0 0 49 0, 0.0 105,-0.1 0, 0.0 2,-0.1 -0.348 12.4-113.0 -78.9 163.1 109.3 39.0 213.0 95 136 A E - 0 0 55 -2,-0.1 2,-0.2 688,-0.1 103,-0.1 -0.313 21.1-149.1 -81.0 171.9 109.4 41.8 215.6 96 137 A F + 0 0 32 101,-0.1 103,-0.0 -2,-0.1 2,-0.0 -0.660 30.6 161.3-149.9 83.4 112.3 44.3 215.4 97 138 A G > - 0 0 1 -2,-0.2 4,-2.6 686,-0.1 685,-0.2 -0.007 55.7 -69.4 -93.7-163.9 113.3 45.6 218.9 98 139 A M H > S+ 0 0 17 683,-2.4 4,-2.9 682,-0.4 5,-0.2 0.870 127.0 54.7 -59.9 -42.2 116.2 47.4 220.5 99 140 A K H > S+ 0 0 154 681,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.935 112.2 43.6 -58.4 -48.3 118.5 44.4 220.3 100 141 A E H > S+ 0 0 50 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.878 114.0 50.8 -65.4 -39.9 118.0 44.1 216.5 101 142 A M H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 95,-0.4 0.936 111.0 48.0 -64.4 -46.4 118.2 47.9 216.0 102 143 A R H < S+ 0 0 99 -4,-2.9 3,-0.5 1,-0.2 -2,-0.2 0.847 106.3 57.4 -66.0 -31.2 121.5 48.1 218.0 103 144 A E H < S+ 0 0 137 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 113.2 41.2 -64.8 -33.8 123.0 45.2 216.0 104 145 A S H < S+ 0 0 27 -4,-1.4 2,-0.4 -3,-0.3 -1,-0.2 0.567 92.3 108.9 -86.5 -12.1 122.3 47.2 212.8 105 146 A W < + 0 0 58 -4,-0.8 2,-0.4 -3,-0.5 90,-0.2 -0.552 43.0 174.8 -74.3 122.9 123.5 50.5 214.3 106 147 A K E -B 194 0B 102 88,-2.5 88,-2.7 -2,-0.4 2,-0.7 -0.991 21.8-162.9-131.6 126.3 126.8 51.8 212.9 107 148 A V E +B 193 0B 56 -2,-0.4 86,-0.3 86,-0.2 3,-0.2 -0.949 11.4 179.1-106.2 104.1 128.6 55.1 213.7 108 149 A H S S+ 0 0 103 84,-1.7 2,-0.4 -2,-0.7 85,-0.2 0.833 77.2 23.8 -73.9 -38.4 131.1 55.5 210.9 109 150 A V S S- 0 0 35 83,-1.9 -1,-0.3 125,-0.0 5,-0.1 -0.940 85.7-135.7-130.0 109.6 132.4 58.9 212.1 110 151 A A > - 0 0 42 -2,-0.4 3,-1.6 -3,-0.2 4,-0.4 -0.273 26.7-111.5 -62.1 151.4 131.9 59.7 215.8 111 152 A P G > S+ 0 0 46 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.874 115.2 58.6 -53.6 -40.3 130.7 63.2 216.6 112 153 A E G 3 S+ 0 0 186 1,-0.3 -2,-0.1 4,-0.0 4,-0.0 0.687 106.7 48.7 -64.3 -21.5 134.0 64.3 218.2 113 154 A D G < S+ 0 0 126 -3,-1.6 -1,-0.3 2,-0.0 3,-0.1 0.370 92.5 96.1 -98.8 0.3 135.9 63.5 215.0 114 155 A R S < S- 0 0 11 -3,-1.5 -4,-0.0 -4,-0.4 72,-0.0 -0.514 89.2 -80.9 -85.8 163.0 133.5 65.3 212.6 115 156 A P - 0 0 17 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.090 25.1-146.3 -57.3 160.6 134.2 68.9 211.4 116 157 A T S S+ 0 0 126 1,-0.2 2,-0.3 69,-0.1 -2,-0.0 0.380 84.8 17.1-110.6 1.5 133.3 71.8 213.7 117 158 A Q S S- 0 0 133 68,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.950 107.6 -64.3-161.2 161.4 132.4 74.1 210.8 118 159 A Q - 0 0 74 -2,-0.3 68,-0.2 1,-0.1 67,-0.1 -0.344 44.0-175.7 -54.3 123.4 131.6 73.6 207.1 119 160 A E + 0 0 87 66,-3.6 2,-0.2 -2,-0.1 -1,-0.1 0.381 59.8 65.8-105.2 3.2 134.7 72.2 205.3 120 161 A N S S- 0 0 22 64,-0.2 67,-0.1 65,-0.2 68,-0.1 -0.650 81.5-122.7-110.7 179.8 133.5 72.1 201.7 121 162 A D + 0 0 131 -2,-0.2 66,-0.1 66,-0.2 -3,-0.0 0.211 65.6 127.0-104.3 5.0 132.6 75.2 199.5 122 163 A W - 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0 0 6 -4,-2.0 3,-0.9 -5,-0.3 -3,-0.1 0.237 21.3 -92.2 90.2 145.7 92.8 31.2 232.6 560 71 B V T 3 S+ 0 0 16 1,-0.2 -1,-0.1 2,-0.1 -5,-0.1 0.812 130.2 38.8 -63.9 -30.5 92.6 32.3 228.9 561 72 B L T 3 S- 0 0 62 -6,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.235 118.8-112.2-100.6 10.3 95.1 29.6 227.8 562 73 B R S < S+ 0 0 2 -3,-0.9 8,-2.3 1,-0.1 9,-0.3 0.725 78.4 133.6 68.6 25.0 93.6 27.2 230.3 563 74 B K - 0 0 150 6,-0.2 6,-0.3 1,-0.2 -4,-0.2 0.512 68.5-109.0 -84.6 1.5 96.7 27.3 232.5 564 75 B G + 0 0 28 -6,-2.9 -6,-0.2 4,-0.3 4,-0.2 0.221 41.2 179.6 90.8 145.1 94.7 27.8 235.7 565 76 B A S S- 0 0 50 2,-1.8 -7,-0.2 -8,-1.3 -8,-0.1 0.021 85.0 -14.1-136.4 -95.1 94.2 30.7 238.0 566 77 B T S S+ 0 0 66 -9,-0.5 2,-0.2 -10,-0.3 -8,-0.2 0.800 139.3 55.7 -83.4 -30.8 92.0 30.2 241.0 567 78 B G S S- 0 0 16 -10,-2.9 -2,-1.8 -13,-0.1 3,-0.1 -0.624 103.7 -88.6 -97.2 159.0 90.7 27.1 239.2 568 79 B K - 0 0 175 -2,-0.2 -4,-0.3 -4,-0.2 -1,-0.1 -0.174 48.8 -85.3 -67.9 157.5 93.0 24.2 238.1 569 80 B A - 0 0 33 -6,-0.3 -6,-0.2 -5,-0.1 -1,-0.1 -0.376 35.9-169.3 -58.8 138.2 94.7 24.0 234.8 570 81 B L + 0 0 24 -8,-2.3 -7,-0.1 -12,-0.3 -1,-0.1 -0.188 32.7 141.9-123.9 33.7 92.4 22.4 232.2 571 82 B T >> - 0 0 24 -9,-0.3 4,-2.7 1,-0.1 3,-0.9 -0.368 65.1-106.2 -76.3 158.2 95.0 21.8 229.4 572 83 B P H 3> S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.891 114.5 66.2 -54.7 -41.8 94.8 18.6 227.3 573 84 B D H 34 S+ 0 0 107 1,-0.2 4,-0.4 2,-0.2 44,-0.0 0.874 116.4 28.1 -46.3 -44.8 97.8 16.9 229.0 574 85 B L H X> S+ 0 0 81 -3,-0.9 4,-0.7 2,-0.1 3,-0.5 0.869 117.3 56.4 -87.8 -43.2 95.8 16.8 232.2 575 86 B T H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.5 0.793 96.8 63.0 -67.0 -29.1 92.2 16.6 230.9 576 87 B R H 3< S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.1 0.909 104.7 49.6 -63.2 -34.9 92.7 13.5 228.8 577 88 B D H <4 S+ 0 0 143 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.651 107.3 53.0 -76.1 -18.3 93.5 11.6 232.0 578 89 B L H S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.875 128.2 50.5 -51.4 -51.8 84.9 12.6 229.6 581 92 B D H > S+ 0 0 110 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.880 109.6 50.1 -65.4 -33.3 82.9 11.2 232.5 582 93 B Y H X S+ 0 0 106 -4,-0.5 4,-3.8 -3,-0.3 5,-0.2 0.961 113.6 46.1 -63.3 -52.1 85.0 12.9 235.2 583 94 B L H X S+ 0 0 6 -4,-2.0 4,-3.2 1,-0.3 5,-0.3 0.906 111.5 51.4 -57.1 -46.2 84.7 16.3 233.5 584 95 B Q H X S+ 0 0 52 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.3 0.862 115.0 42.7 -60.5 -41.1 81.0 16.0 232.9 585 96 B S H X>S+ 0 0 50 -4,-1.7 4,-3.2 -3,-0.2 5,-0.5 0.920 113.9 50.4 -73.9 -43.2 80.5 15.2 236.6 586 97 B F H X5S+ 0 0 73 -4,-3.8 4,-2.5 1,-0.2 12,-0.2 0.936 115.0 43.8 -59.1 -43.1 83.0 17.9 237.8 587 98 B I H <5S+ 0 0 17 -4,-3.2 12,-1.3 -5,-0.2 11,-0.7 0.844 117.7 47.8 -71.0 -28.7 81.2 20.5 235.7 588 99 B T H <5S+ 0 0 27 -4,-1.3 12,-2.3 -5,-0.3 13,-0.3 0.940 128.0 19.4 -73.1 -51.5 77.8 19.1 236.8 589 100 B Y H <5S- 0 0 158 -4,-3.2 -3,-0.2 10,-0.2 8,-0.2 0.685 86.7-166.4 -96.1 -24.1 78.4 18.9 240.5 590 101 B G << - 0 0 15 -4,-2.5 -1,-0.2 -5,-0.5 7,-0.1 -0.222 20.9-101.5 65.9-161.1 81.3 21.3 241.2 591 102 B S B >> -H 595 0L 31 4,-2.1 3,-1.6 1,-0.0 4,-0.6 -0.989 18.2-105.7-158.4 160.2 83.1 21.2 244.5 592 103 B P T 34 S+ 0 0 73 0, 0.0 422,-0.8 0, 0.0 423,-0.2 0.601 105.8 79.2 -66.8 -7.6 83.4 23.0 247.8 593 104 B A T 34 S- 0 0 83 420,-0.1 -3,-0.0 421,-0.1 0, 0.0 0.485 125.9 -81.3 -79.5 0.8 86.8 24.5 246.8 594 105 B G T <4 S+ 0 0 23 -3,-1.6 93,-0.1 1,-0.3 -1,-0.1 0.370 87.5 132.1 120.0 -5.6 85.0 27.1 244.6 595 106 B M B < -H 591 0L 35 -4,-0.6 -4,-2.1 1,-0.1 -1,-0.3 -0.738 57.9-122.2 -81.6 115.9 84.0 25.4 241.4 596 107 B P - 0 0 13 0, 0.0 2,-1.6 0, 0.0 3,-0.2 -0.182 12.2-119.7 -55.6 151.4 80.4 26.1 240.6 597 108 B N > + 0 0 46 1,-0.2 4,-1.9 -8,-0.2 6,-0.3 -0.614 41.1 172.0 -90.7 73.3 77.8 23.3 240.2 598 109 B W H >>S+ 0 0 22 -2,-1.6 6,-1.7 -11,-0.7 4,-0.6 0.890 71.5 45.7 -53.1 -46.4 77.0 24.3 236.7 599 110 B G H >45S+ 0 0 21 -12,-1.3 3,-1.0 -3,-0.2 -10,-0.2 0.969 115.1 40.4 -65.2 -58.8 74.8 21.2 236.0 600 111 B T H 345S+ 0 0 82 -12,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.732 111.7 57.0 -69.7 -18.7 72.7 21.0 239.2 601 112 B S H 3<5S- 0 0 47 -4,-1.9 -1,-0.3 -13,-0.3 -2,-0.2 0.679 108.6-121.7 -81.5 -19.0 72.1 24.8 239.4 602 113 B G T <<5S+ 0 0 58 -3,-1.0 -3,-0.1 -4,-0.6 -2,-0.1 0.395 78.3 125.6 92.5 0.0 70.6 24.8 235.9 603 114 B E S - 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