==== 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 05-MAY-01 1HCM . 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) . 39670.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 717 68.0 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 . 337 31.9 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 . 101 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.8 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 11 23 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 0 146 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.6 111.4 25.0 209.3 2 43 A P - 0 0 121 0, 0.0 45,-0.1 0, 0.0 44,-0.0 -0.158 360.0 -91.1 -58.8 156.6 108.3 23.9 207.5 3 44 A E - 0 0 130 43,-0.2 2,-0.3 1,-0.1 46,-0.0 -0.278 45.0-102.1 -68.6 158.3 107.9 20.2 206.5 4 45 A G - 0 0 74 -3,-0.1 2,-0.7 1,-0.0 -1,-0.1 -0.634 27.1-135.1 -85.8 139.0 109.1 19.0 203.2 5 46 A V - 0 0 46 -2,-0.3 -1,-0.0 82,-0.0 79,-0.0 -0.834 24.4-120.0-100.7 112.4 106.6 18.4 200.3 6 47 A S - 0 0 64 -2,-0.7 2,-0.6 1,-0.1 -1,-0.0 -0.029 16.3-128.1 -48.3 139.2 107.1 15.1 198.4 7 48 A A - 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.857 30.0-154.5 -93.0 119.0 107.8 15.3 194.7 8 49 A L - 0 0 34 -2,-0.6 73,-0.0 1,-0.1 5,-0.0 -0.783 13.0-114.7 -98.3 143.4 105.3 12.9 193.0 9 50 A S > - 0 0 59 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.158 30.1-107.4 -70.2 167.6 105.8 11.2 189.7 10 51 A D H > S+ 0 0 136 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.933 121.6 48.8 -59.6 -46.1 103.6 12.0 186.7 11 52 A A H > S+ 0 0 70 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.947 111.5 48.8 -58.8 -51.3 101.8 8.6 187.0 12 53 A Q H > S+ 0 0 82 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.909 113.8 47.8 -54.8 -44.0 101.2 9.2 190.7 13 54 A Y H X S+ 0 0 64 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.816 110.1 50.6 -69.2 -33.5 99.9 12.7 190.0 14 55 A N H X S+ 0 0 99 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.958 113.1 47.5 -68.5 -45.4 97.6 11.5 187.2 15 56 A E H X S+ 0 0 79 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.936 113.4 46.2 -57.2 -52.1 96.2 8.9 189.5 16 57 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.831 112.8 51.5 -61.3 -35.3 95.7 11.4 192.4 17 58 A N H X S+ 0 0 36 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.898 108.3 50.3 -67.9 -44.1 94.1 13.9 190.0 18 59 A K H X S+ 0 0 138 -4,-2.6 4,-1.9 1,-0.2 5,-0.3 0.946 112.7 47.3 -60.7 -46.8 91.7 11.3 188.6 19 60 A I H X>S+ 0 0 10 -4,-2.4 4,-3.4 -5,-0.2 5,-0.5 0.940 110.8 52.7 -61.5 -46.9 90.6 10.4 192.2 20 61 A Y H X>S+ 0 0 1 -4,-2.3 5,-2.5 1,-0.2 4,-2.2 0.936 113.5 39.9 -55.9 -53.0 90.3 14.1 193.2 21 62 A F H <5S+ 0 0 14 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.819 123.4 42.0 -69.8 -26.6 88.0 15.1 190.3 22 63 A E H <5S+ 0 0 79 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.847 131.2 17.8 -88.3 -34.9 86.0 11.9 190.6 23 64 A R H <5S+ 0 0 72 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.591 130.0 29.2-116.8 -13.9 85.7 11.5 194.3 24 65 A C T >X< - 0 0 6 -4,-1.7 3,-1.2 -5,-0.3 -3,-0.1 0.235 25.7 -91.1 85.3 150.1 84.9 22.1 194.8 30 71 A V T 3 S+ 0 0 16 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.739 130.7 38.9 -68.9 -21.8 86.7 21.6 191.5 31 72 A L T 3 S- 0 0 65 -6,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.205 118.2-111.1-110.7 13.7 89.3 24.2 192.4 32 73 A R S < S+ 0 0 3 -3,-1.2 8,-2.9 1,-0.1 9,-0.4 0.635 81.7 127.2 66.8 19.1 89.4 23.0 196.1 33 74 A K S S- 0 0 159 6,-0.2 6,-0.3 1,-0.2 -4,-0.2 0.561 72.3-110.0 -80.9 -7.7 87.8 26.2 197.4 34 75 A G - 0 0 27 -6,-2.7 -6,-0.2 4,-0.2 -1,-0.2 -0.131 40.2-175.8 99.1 161.7 85.2 24.2 199.2 35 76 A A S S- 0 0 51 2,-2.1 -7,-0.2 -8,-0.9 -8,-0.1 -0.193 85.9 -16.2-156.0-104.7 81.5 23.4 199.0 36 77 A T S S+ 0 0 61 -9,-0.3 2,-0.2 -10,-0.3 -8,-0.2 0.799 136.8 61.3 -81.6 -28.5 79.8 21.2 201.6 37 78 A G S S- 0 0 17 -10,-3.2 -2,-2.1 1,-0.1 3,-0.1 -0.650 102.4 -90.6 -94.9 151.5 83.4 20.2 202.5 38 79 A K - 0 0 169 -2,-0.2 -4,-0.2 -4,-0.2 -1,-0.1 -0.020 50.2 -86.5 -56.7 160.7 86.1 22.6 203.8 39 80 A A - 0 0 30 -6,-0.3 -6,-0.2 -5,-0.1 -1,-0.1 -0.442 34.3-166.4 -68.9 141.6 88.5 24.4 201.4 40 81 A L + 0 0 25 -8,-2.9 -7,-0.2 -12,-0.4 -1,-0.1 -0.095 33.1 142.2-123.1 34.0 91.6 22.3 200.6 41 82 A T >> - 0 0 27 -9,-0.4 3,-2.2 1,-0.1 4,-2.0 -0.465 63.4-112.6 -74.1 148.8 93.8 24.9 199.1 42 83 A P H 3> S+ 0 0 20 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.665 112.8 69.3 -58.1 -19.1 97.5 24.7 199.9 43 84 A D H 34 S+ 0 0 114 1,-0.2 4,-0.1 2,-0.2 44,-0.0 0.750 114.1 29.7 -70.9 -22.1 97.5 27.9 201.9 44 85 A L H <> S+ 0 0 82 -3,-2.2 4,-0.9 2,-0.1 3,-0.3 0.782 120.4 50.5-101.5 -42.9 95.4 26.0 204.5 45 86 A T H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 3,-0.2 0.844 101.3 60.3 -68.5 -39.3 96.6 22.4 204.1 46 87 A R H < S+ 0 0 144 -4,-1.7 -43,-0.2 1,-0.2 -1,-0.2 0.822 106.1 49.9 -60.3 -31.0 100.3 23.1 204.3 47 88 A D H 4 S+ 0 0 147 -3,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 0.787 111.0 49.3 -74.0 -32.0 99.7 24.5 207.8 48 89 A L H < S- 0 0 78 -4,-0.9 4,-0.5 -3,-0.2 -2,-0.2 0.911 104.7-154.2 -73.1 -41.8 97.7 21.3 208.7 49 90 A G X - 0 0 9 -4,-2.9 4,-2.0 2,-0.1 5,-0.2 0.133 26.3 -68.9 85.9 160.8 100.5 19.1 207.4 50 91 A F H > S+ 0 0 42 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.920 124.8 53.1 -48.4 -61.0 100.7 15.6 206.0 51 92 A D H > S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.886 110.6 48.2 -47.2 -48.3 99.9 13.6 209.1 52 93 A Y H > S+ 0 0 98 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.919 113.4 46.1 -61.1 -46.3 96.7 15.6 209.8 53 94 A L H X S+ 0 0 10 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.933 112.6 51.5 -64.2 -43.2 95.4 15.2 206.2 54 95 A Q H X S+ 0 0 59 -4,-3.1 4,-1.9 -5,-0.2 -2,-0.2 0.941 109.9 49.6 -59.8 -45.4 96.3 11.5 206.2 55 96 A S H X S+ 0 0 53 -4,-2.6 4,-2.8 -5,-0.3 5,-0.4 0.963 113.0 45.5 -59.4 -53.1 94.4 11.0 209.4 56 97 A F H X S+ 0 0 77 -4,-2.3 4,-2.0 1,-0.2 12,-0.2 0.903 113.3 48.5 -59.9 -42.0 91.2 12.8 208.2 57 98 A I H < S+ 0 0 15 -4,-2.7 12,-1.3 -5,-0.2 11,-0.4 0.826 116.3 46.7 -68.1 -29.6 91.3 11.0 204.8 58 99 A T H < S+ 0 0 28 -4,-1.9 12,-2.7 -5,-0.3 13,-0.3 0.946 127.5 19.8 -76.5 -55.0 91.7 7.7 206.6 59 100 A Y H < S- 0 0 158 -4,-2.8 8,-0.2 1,-0.2 -3,-0.2 0.577 91.4-154.9 -95.6 -12.7 89.1 7.9 209.4 60 101 A G < - 0 0 12 -4,-2.0 -1,-0.2 -5,-0.4 7,-0.1 -0.220 22.4 -90.0 68.6-161.5 86.8 10.6 208.0 61 102 A S B >> -A 65 0A 36 4,-2.3 3,-1.8 -4,-0.1 4,-0.9 -0.984 16.1-123.3-151.4 140.8 84.6 12.7 210.3 62 103 A P T 34 S+ 0 0 71 0, 0.0 422,-0.4 0, 0.0 423,-0.2 0.617 104.3 74.3 -59.2 -13.6 81.1 12.2 211.7 63 104 A A T 34 S- 0 0 83 421,-0.1 -3,-0.0 420,-0.1 420,-0.0 0.321 127.6 -66.2 -85.0 7.4 80.3 15.6 210.2 64 105 A G T <4 S+ 0 0 32 -3,-1.8 93,-0.1 1,-0.3 -28,-0.0 0.374 94.2 118.0 130.1 -10.0 80.1 14.5 206.5 65 106 A M B < -A 61 0A 48 -4,-0.9 -4,-2.3 1,-0.0 -1,-0.3 -0.837 61.8-125.3 -96.0 120.3 83.6 13.4 205.3 66 107 A P - 0 0 20 0, 0.0 2,-1.4 0, 0.0 -6,-0.2 -0.177 18.2-116.6 -59.2 152.7 83.7 9.7 204.3 67 108 A N > + 0 0 47 -8,-0.2 4,-2.0 1,-0.2 6,-0.3 -0.597 39.9 177.1 -91.6 72.8 86.2 7.4 205.9 68 109 A W T 4>S+ 0 0 22 -2,-1.4 6,-2.3 -11,-0.4 5,-0.6 0.829 75.3 35.1 -46.5 -47.8 88.1 6.7 202.6 69 110 A G T >45S+ 0 0 22 -12,-1.3 3,-1.7 -11,-0.2 -1,-0.2 0.963 119.9 45.9 -75.5 -55.7 90.8 4.5 204.2 70 111 A T T 345S+ 0 0 87 -12,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.662 112.1 54.3 -62.9 -17.0 88.9 2.7 206.9 71 112 A S T 3<5S- 0 0 43 -4,-2.0 -1,-0.3 -13,-0.3 -2,-0.2 0.555 109.7-122.7 -94.8 -9.7 86.1 2.0 204.4 72 113 A G T < 5S+ 0 0 57 -3,-1.7 -3,-0.2 2,-0.3 -2,-0.1 0.413 80.4 118.6 83.3 -2.6 88.4 0.3 202.0 73 114 A E S - 0 0 51 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.195 32.8-102.3 -72.3 175.1 94.1 1.8 199.7 76 117 A A H > S+ 0 0 79 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.904 125.6 52.4 -64.6 -37.6 96.7 2.9 202.3 77 118 A E H > S+ 0 0 155 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 109.3 47.4 -63.7 -44.8 98.9 3.9 199.3 78 119 A Q H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.859 106.6 58.8 -66.4 -34.2 96.2 6.0 197.7 79 120 A V H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.909 110.1 41.9 -59.8 -46.3 95.4 7.7 201.0 80 121 A D H X S+ 0 0 57 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.936 111.5 57.6 -67.2 -42.3 99.0 9.0 201.3 81 122 A L H X S+ 0 0 12 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.920 110.6 42.6 -51.8 -48.0 98.9 9.8 197.5 82 123 A M H X S+ 0 0 6 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.864 109.7 56.5 -69.2 -37.3 95.9 12.1 198.2 83 124 A A H < S+ 0 0 0 -4,-2.0 4,-0.4 -5,-0.2 -2,-0.2 0.915 112.5 42.6 -61.7 -40.6 97.4 13.6 201.3 84 125 A N H >X S+ 0 0 23 -4,-2.6 3,-1.2 2,-0.2 4,-0.7 0.897 110.2 57.1 -70.6 -42.5 100.5 14.7 199.3 85 126 A Y H >< S+ 0 0 1 -4,-2.2 3,-1.5 -5,-0.3 -2,-0.2 0.919 101.6 56.0 -55.1 -45.6 98.3 15.8 196.4 86 127 A L T 3< S+ 0 0 11 -4,-2.5 -1,-0.3 1,-0.3 -41,-0.2 0.712 100.7 60.1 -62.5 -19.0 96.4 18.2 198.6 87 128 A L T <4 S+ 0 0 11 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.736 97.2 74.7 -80.2 -21.7 99.7 19.8 199.6 88 129 A L S << S- 0 0 44 -3,-1.5 3,-0.1 -4,-0.7 -42,-0.0 -0.273 99.7 -77.4 -84.7 172.8 100.5 20.7 196.0 89 130 A D - 0 0 126 1,-0.1 -1,-0.1 -48,-0.1 -2,-0.1 -0.455 60.6 -87.1 -73.3 141.6 98.9 23.5 193.9 90 131 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -59,-0.1 -0.166 42.5-129.2 -51.1 131.3 95.4 23.0 192.6 91 132 A A - 0 0 12 1,-0.1 0, 0.0 -3,-0.1 0, 0.0 -0.301 32.4 -90.5 -76.7 166.7 95.2 21.2 189.2 92 133 A A - 0 0 84 1,-0.1 -1,-0.1 -2,-0.0 -61,-0.1 -0.676 48.3-107.1 -79.7 128.0 93.1 22.6 186.3 93 134 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.294 39.1-131.9 -55.9 130.4 89.6 21.3 186.3 94 135 A P - 0 0 51 0, 0.0 2,-0.1 0, 0.0 105,-0.1 -0.310 13.0-110.1 -82.2 167.2 89.1 18.8 183.5 95 136 A E - 0 0 58 -2,-0.1 2,-0.2 688,-0.1 103,-0.1 -0.414 20.4-151.0 -86.4 169.8 86.3 18.5 180.9 96 137 A F + 0 0 32 -2,-0.1 103,-0.0 101,-0.1 686,-0.0 -0.690 30.3 157.0-150.0 85.7 83.8 15.6 181.0 97 138 A G > - 0 0 2 -2,-0.2 4,-2.3 686,-0.1 685,-0.2 0.057 58.2 -61.4 -94.5-158.2 82.4 14.7 177.6 98 139 A M H > S+ 0 0 22 683,-2.4 4,-2.2 682,-0.4 5,-0.2 0.868 127.4 54.8 -61.0 -39.3 80.8 11.8 175.8 99 140 A K H > S+ 0 0 136 681,-0.3 4,-1.3 682,-0.2 -1,-0.2 0.907 111.6 43.0 -63.9 -43.1 83.7 9.4 176.3 100 141 A E H > S+ 0 0 48 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.876 112.6 51.5 -72.1 -41.1 83.9 9.9 180.1 101 142 A M H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 95,-0.4 0.937 111.2 49.3 -62.2 -43.5 80.1 9.7 180.6 102 143 A R H < S+ 0 0 101 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.811 106.2 55.8 -65.1 -30.7 80.0 6.4 178.7 103 144 A E H < S+ 0 0 123 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.851 113.5 41.4 -69.2 -33.0 82.9 5.0 180.7 104 145 A S H < S+ 0 0 28 -4,-1.6 2,-0.5 -3,-0.2 -1,-0.2 0.557 92.8 110.7 -87.8 -9.7 80.9 5.6 183.9 105 146 A W < + 0 0 56 -4,-0.8 2,-0.4 -5,-0.2 90,-0.2 -0.534 41.6 170.1 -73.4 119.2 77.7 4.4 182.2 106 147 A K E -B 194 0B 104 88,-2.5 88,-2.7 -2,-0.5 2,-0.7 -0.992 22.9-162.7-134.1 129.2 76.4 1.1 183.6 107 148 A V E -B 193 0B 53 -2,-0.4 3,-0.3 86,-0.2 86,-0.3 -0.943 9.1-179.7-109.6 106.9 73.1 -0.6 183.0 108 149 A H S S+ 0 0 105 84,-1.4 2,-0.4 -2,-0.7 85,-0.2 0.851 77.8 25.0 -75.2 -38.5 72.6 -3.2 185.8 109 150 A V S S- 0 0 37 83,-1.9 -1,-0.3 125,-0.0 5,-0.1 -0.878 84.7-138.3-130.6 99.9 69.2 -4.5 184.6 110 151 A A > - 0 0 38 -2,-0.4 3,-2.3 -3,-0.3 4,-0.3 -0.166 26.9-111.5 -53.7 149.3 68.5 -4.0 180.8 111 152 A P G > S+ 0 0 45 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.860 115.5 64.3 -52.1 -40.1 64.9 -2.9 180.1 112 153 A E G 3 S+ 0 0 187 1,-0.3 -2,-0.1 0, 0.0 -3,-0.0 0.559 106.0 45.5 -62.4 -10.2 64.1 -6.2 178.5 113 154 A D G < S+ 0 0 122 -3,-2.3 -1,-0.3 2,-0.1 -3,-0.1 0.320 91.3 99.8-114.4 1.8 64.6 -7.9 181.9 114 155 A R S < S- 0 0 13 -3,-1.9 72,-0.0 -4,-0.3 -4,-0.0 -0.526 86.0 -83.8 -86.7 160.8 62.7 -5.5 184.1 115 156 A P - 0 0 16 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.054 23.9-145.2 -56.3 162.4 59.2 -6.2 185.2 116 157 A T S S+ 0 0 131 1,-0.3 2,-0.3 69,-0.1 -2,-0.0 0.438 84.7 17.8-108.2 -6.0 56.3 -5.4 182.9 117 158 A Q S S- 0 0 134 68,-0.2 -1,-0.3 0, 0.0 0, 0.0 -0.976 106.1 -65.8-157.4 159.7 54.1 -4.5 185.9 118 159 A Q - 0 0 76 -2,-0.3 68,-0.2 1,-0.2 67,-0.1 -0.282 45.2-176.7 -51.1 126.8 54.4 -3.5 189.5 119 160 A E + 0 0 88 66,-2.2 2,-0.2 65,-0.1 -1,-0.2 0.264 56.6 68.5-112.7 9.1 55.8 -6.6 191.3 120 161 A N S S- 0 0 21 64,-0.2 67,-0.1 2,-0.1 68,-0.1 -0.727 79.7-123.9-118.6 173.1 55.8 -5.5 194.9 121 162 A D + 0 0 136 -2,-0.2 66,-0.1 66,-0.2 -3,-0.0 0.420 66.9 125.0 -97.5 -2.9 52.9 -4.7 197.2 122 163 A W - 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0 0 6 -4,-2.3 3,-1.3 -5,-0.4 -3,-0.1 0.269 22.1 -91.2 87.3 149.4 96.9 35.1 164.0 560 71 B V T 3 S+ 0 0 12 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.746 130.0 39.2 -67.0 -25.5 96.0 35.5 167.6 561 72 B L T 3 S- 0 0 57 -6,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.192 117.4-113.4-105.2 10.7 98.5 32.8 168.7 562 73 B R S < S+ 0 0 2 -3,-1.3 8,-2.6 1,-0.1 9,-0.4 0.619 80.3 129.1 67.5 16.1 101.0 34.2 166.2 563 74 B K - 0 0 151 6,-0.2 6,-0.3 1,-0.2 -4,-0.2 0.512 69.7-116.6 -79.3 -2.1 100.9 31.0 164.2 564 75 B G - 0 0 29 -6,-2.9 -6,-0.2 4,-0.2 4,-0.2 0.171 38.0-174.2 86.3 157.0 100.3 33.1 161.0 565 76 B A S S- 0 0 50 2,-1.7 -7,-0.1 -8,-1.2 -8,-0.1 -0.096 84.6 -10.3-147.7-105.4 97.5 33.5 158.5 566 77 B T S S+ 0 0 59 -10,-0.3 2,-0.2 -9,-0.2 -8,-0.2 0.785 137.0 58.0 -74.6 -25.5 98.0 35.7 155.4 567 78 B G S S- 0 0 19 -10,-2.7 -2,-1.7 1,-0.1 3,-0.1 -0.638 102.1 -88.6-100.8 159.4 101.2 36.8 157.2 568 79 B K - 0 0 178 -2,-0.2 -4,-0.2 -4,-0.2 -1,-0.1 -0.144 50.2 -86.6 -66.2 158.6 104.1 34.7 158.3 569 80 B A - 0 0 34 -6,-0.3 -6,-0.2 -5,-0.1 -1,-0.1 -0.393 34.8-171.3 -66.8 141.6 104.3 33.0 161.7 570 81 B L + 0 0 25 -8,-2.6 -7,-0.2 -12,-0.3 -1,-0.1 -0.100 31.1 141.2-127.2 34.0 105.8 35.2 164.5 571 82 B T >> - 0 0 26 -9,-0.4 4,-2.5 1,-0.1 3,-1.0 -0.388 65.7-104.4 -75.7 154.4 106.2 32.7 167.3 572 83 B P H 3> S+ 0 0 16 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.796 115.3 63.3 -51.5 -35.8 109.3 32.9 169.5 573 84 B D H 3> S+ 0 0 105 1,-0.2 4,-0.6 2,-0.2 44,-0.0 0.910 115.7 30.2 -58.3 -44.0 111.1 29.9 167.9 574 85 B L H <> S+ 0 0 79 -3,-1.0 4,-0.9 2,-0.2 -1,-0.2 0.817 117.4 58.3 -83.6 -35.3 111.3 31.7 164.5 575 86 B T H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 8,-0.2 0.806 99.8 57.0 -66.5 -32.6 111.5 35.2 165.9 576 87 B R H < S+ 0 0 107 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.903 104.7 51.4 -68.1 -39.2 114.6 34.5 168.0 577 88 B D H < S+ 0 0 144 -4,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.721 111.0 48.2 -69.7 -24.3 116.6 33.4 164.9 578 89 B L H X S- 0 0 79 -4,-0.9 4,-0.5 -3,-0.1 -1,-0.2 0.827 103.2-154.1 -83.6 -35.1 115.6 36.6 163.0 579 90 B G H X - 0 0 23 -4,-1.7 4,-2.2 1,-0.1 3,-0.5 0.266 27.8 -67.9 77.6 159.2 116.5 38.8 165.9 580 91 B F H > S+ 0 0 53 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.845 125.9 51.2 -45.7 -53.3 115.4 42.3 167.0 581 92 B D H > S+ 0 0 114 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.867 110.0 48.7 -61.6 -40.6 116.9 44.3 164.2 582 93 B Y H X S+ 0 0 107 -4,-0.5 4,-2.9 -3,-0.5 5,-0.2 0.987 115.1 44.9 -62.3 -54.8 115.4 42.2 161.4 583 94 B L H X S+ 0 0 7 -4,-2.2 4,-2.4 1,-0.3 5,-0.3 0.905 113.0 52.1 -53.8 -45.2 111.9 42.4 163.1 584 95 B Q H X S+ 0 0 55 -4,-3.2 4,-1.6 -5,-0.3 -1,-0.3 0.908 111.9 45.9 -59.6 -42.7 112.4 46.1 163.7 585 96 B S H X S+ 0 0 48 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.898 111.9 49.6 -69.1 -41.1 113.3 46.6 160.0 586 97 B F H X S+ 0 0 69 -4,-2.9 4,-3.5 2,-0.2 12,-0.2 0.943 112.3 47.5 -65.1 -44.2 110.4 44.6 158.7 587 98 B I H < S+ 0 0 15 -4,-2.4 12,-1.1 -5,-0.2 11,-0.7 0.864 116.4 46.5 -64.0 -33.7 107.9 46.3 160.9 588 99 B T H < S+ 0 0 28 -4,-1.6 12,-2.0 -5,-0.3 13,-0.2 0.877 128.5 21.1 -74.7 -43.0 109.4 49.7 159.8 589 100 B Y H < S- 0 0 154 -4,-2.9 -3,-0.2 10,-0.2 -2,-0.2 0.665 83.4-169.3-105.2 -18.2 109.5 49.0 156.1 590 101 B G < - 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