==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 09-JUN-04 1TKO . COMPND 2 MOLECULE: IRON-RICH DPSA-HOMOLOG PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR K.ZETH,S.OFFERMANN,L.O.ESSEN,D.OESTERHELT . 705 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 22 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 440 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 8 0 4 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 8 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A S > 0 0 138 0, 0.0 3,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.0 72.6 69.9 21.5 2 3 A T T 3 + 0 0 138 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.053 360.0 51.4 -84.9 26.8 69.2 71.6 20.9 3 4 A Q T 3 S+ 0 0 183 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.145 80.2 111.8-151.3 27.1 69.4 70.5 17.3 4 5 A K < - 0 0 128 -3,-0.9 3,-0.0 1,-0.1 0, 0.0 -0.437 52.1-144.6 -99.3 175.1 70.2 66.8 17.1 5 6 A N S S+ 0 0 145 -2,-0.1 284,-0.4 283,-0.0 2,-0.2 0.833 74.1 74.3-105.3 -50.4 68.1 63.8 15.9 6 7 A A - 0 0 22 1,-0.1 282,-0.3 282,-0.1 3,-0.1 -0.449 68.6-143.7 -70.4 137.1 68.9 60.8 18.0 7 8 A R S S+ 0 0 156 280,-2.5 2,-0.3 1,-0.2 281,-0.2 0.792 87.3 7.7 -67.8 -28.9 67.5 60.9 21.6 8 9 A A B S-A 287 0A 29 279,-1.5 279,-2.3 5,-0.0 2,-0.5 -0.987 72.4-129.3-150.9 156.1 70.8 59.2 22.7 9 10 A T > - 0 0 40 -2,-0.3 3,-2.9 277,-0.2 277,-0.1 -0.935 33.4-106.2-115.0 130.6 74.2 58.3 21.3 10 11 A A T 3 S+ 0 0 43 -2,-0.5 3,-0.1 1,-0.3 276,-0.1 -0.236 109.6 29.6 -49.0 128.2 75.8 54.9 21.6 11 12 A G T 3 S+ 0 0 62 1,-0.4 -1,-0.3 79,-0.3 2,-0.2 0.042 92.1 115.7 107.8 -26.7 78.5 55.3 24.1 12 13 A E < - 0 0 94 -3,-2.9 -1,-0.4 77,-0.0 2,-0.3 -0.541 42.3-169.5 -82.1 143.6 76.9 58.0 26.2 13 14 A V + 0 0 19 -2,-0.2 14,-0.3 76,-0.2 76,-0.3 -0.744 10.9 176.2-135.2 87.4 75.9 57.4 29.8 14 15 A E - 0 0 163 74,-1.6 9,-0.4 -2,-0.3 74,-0.2 0.498 35.4-143.1 -70.5 -1.5 73.8 60.2 31.4 15 16 A G - 0 0 2 72,-0.7 2,-0.3 8,-0.2 -1,-0.2 -0.359 25.8 -79.5 71.4-156.6 73.4 58.3 34.7 16 17 A S B > -B 21 0B 25 5,-3.1 5,-3.1 71,-0.1 -1,-0.1 -0.904 25.0-170.4-154.8 123.5 70.1 58.5 36.5 17 18 A D T > 5S+ 0 0 153 -2,-0.3 3,-0.8 3,-0.2 -1,-0.1 0.858 95.3 54.6 -75.7 -37.2 68.5 61.0 38.8 18 19 A A T 3 5S+ 0 0 89 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.908 114.3 40.4 -62.8 -42.8 65.6 58.7 39.8 19 20 A L T 3 5S- 0 0 78 67,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.388 109.3-125.3 -87.0 3.4 68.1 56.0 40.8 20 21 A R T < 5 + 0 0 207 -3,-0.8 2,-0.5 1,-0.2 -3,-0.2 0.909 63.0 142.7 51.5 47.1 70.4 58.6 42.4 21 22 A M B < -B 16 0B 16 -5,-3.1 -5,-3.1 4,-0.0 -1,-0.2 -0.965 44.5-140.3-122.6 113.0 73.2 57.3 40.3 22 23 A D > - 0 0 77 -2,-0.5 4,-2.8 -7,-0.2 3,-0.4 -0.475 22.3-117.5 -74.6 142.1 75.8 59.8 39.0 23 24 A A H > S+ 0 0 43 -9,-0.4 4,-1.8 1,-0.2 -8,-0.2 0.671 112.7 63.0 -51.2 -19.7 77.1 59.4 35.4 24 25 A D H > S+ 0 0 120 2,-0.2 4,-0.8 3,-0.1 -1,-0.2 0.988 112.7 30.2 -71.1 -60.4 80.6 59.0 37.0 25 26 A R H >> S+ 0 0 70 -3,-0.4 4,-1.1 1,-0.2 3,-1.0 0.937 119.4 58.4 -61.7 -48.3 79.8 55.8 38.9 26 27 A A H >X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.3 3,-1.1 0.920 96.6 58.2 -47.0 -60.0 77.2 54.7 36.4 27 28 A E H 3X S+ 0 0 91 -4,-1.8 4,-1.5 1,-0.3 -1,-0.3 0.781 101.2 58.6 -45.8 -33.1 79.6 54.7 33.4 28 29 A Q H S- 0 0 52 -2,-0.3 3,-0.7 1,-0.2 4,-0.2 -0.735 93.8 -37.1 116.2-164.0 71.9 11.4 18.0 57 58 A A T 3 S+ 0 0 40 -2,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.864 137.1 38.2 -73.6 -38.8 70.9 9.1 20.8 58 59 A E T 3> S+ 0 0 47 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.004 86.6 118.6-100.7 27.5 70.8 11.8 23.5 59 60 A F H <> S+ 0 0 87 -3,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.919 71.0 43.2 -60.0 -52.9 69.3 14.2 21.0 60 61 A R H > S+ 0 0 172 -3,-0.3 4,-1.9 -4,-0.2 5,-0.2 0.874 113.1 53.1 -65.7 -37.3 65.9 15.0 22.6 61 62 A D H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 115.9 39.6 -62.2 -46.7 67.4 15.3 26.1 62 63 A L H X S+ 0 0 6 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.820 108.9 62.2 -71.8 -33.4 69.9 17.9 24.8 63 64 A H H X S+ 0 0 47 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.918 110.6 39.3 -58.0 -45.3 67.4 19.5 22.5 64 65 A L H X S+ 0 0 76 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.910 116.5 50.7 -71.9 -44.7 65.3 20.5 25.6 65 66 A F H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.943 112.1 45.6 -58.5 -51.8 68.3 21.3 27.7 66 67 A L H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.851 109.8 56.3 -62.4 -34.4 69.9 23.6 25.2 67 68 A G H X S+ 0 0 20 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.944 110.0 44.5 -61.7 -47.4 66.5 25.3 24.5 68 69 A E H X S+ 0 0 93 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.895 112.0 52.7 -62.4 -43.6 66.2 26.1 28.2 69 70 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.914 108.4 50.7 -58.8 -44.3 69.8 27.3 28.4 70 71 A A H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.930 110.2 50.4 -59.0 -44.5 69.1 29.6 25.4 71 72 A E H X S+ 0 0 111 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.900 109.1 50.4 -61.0 -43.6 66.1 31.0 27.2 72 73 A T H X S+ 0 0 19 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.923 109.5 51.4 -61.2 -45.2 68.0 31.7 30.4 73 74 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.922 108.8 51.1 -58.5 -44.9 70.7 33.5 28.4 74 75 A E H X S+ 0 0 27 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.892 111.4 47.6 -60.6 -40.1 68.0 35.6 26.7 75 76 A E H X S+ 0 0 107 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.911 112.3 48.8 -67.2 -43.2 66.5 36.5 30.1 76 77 A V H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.930 111.1 50.9 -61.5 -44.7 70.0 37.4 31.5 77 78 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.906 108.7 51.4 -58.8 -43.4 70.7 39.5 28.5 78 79 A D H X S+ 0 0 24 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.893 108.4 52.2 -61.9 -41.0 67.4 41.4 28.9 79 80 A E H X S+ 0 0 89 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.929 112.9 44.4 -60.7 -46.5 68.3 42.0 32.5 80 81 A L H >X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 3,-0.8 0.982 112.7 50.0 -61.3 -59.8 71.7 43.5 31.5 81 82 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.3 -1,-0.2 0.856 114.4 45.8 -47.3 -42.2 70.3 45.6 28.6 82 83 A E H 3X S+ 0 0 52 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.3 0.765 110.3 52.4 -76.5 -25.3 67.6 47.0 30.9 83 84 A R H S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 3,-0.4 0.975 111.6 46.1 -63.3 -55.7 72.3 49.6 31.3 85 86 A Q H ><5S+ 0 0 42 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.807 111.2 55.0 -57.8 -29.8 69.4 51.7 29.9 86 87 A A H 3<5S+ 0 0 31 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.898 103.9 53.6 -71.3 -39.2 68.4 52.3 33.5 87 88 A L T 3<5S- 0 0 0 -4,-1.9 -72,-0.7 -3,-0.4 -1,-0.2 0.222 128.1 -97.8 -79.5 14.2 71.8 53.6 34.4 88 89 A G T < 5S+ 0 0 11 -3,-1.0 -74,-1.6 1,-0.2 -3,-0.2 0.462 85.9 121.8 86.0 1.4 71.6 56.1 31.5 89 90 A G < - 0 0 5 -5,-2.3 -1,-0.2 -76,-0.3 -76,-0.2 -0.117 63.9-115.5 -88.0-172.9 73.5 54.1 29.0 90 91 A V - 0 0 12 -78,-0.1 -79,-0.3 -3,-0.1 3,-0.1 -0.924 29.0-139.5-128.4 104.1 72.7 52.7 25.6 91 92 A P - 0 0 2 0, 0.0 138,-0.1 0, 0.0 -10,-0.0 -0.316 28.2-100.6 -64.7 143.0 72.7 48.9 25.3 92 93 A H + 0 0 31 1,-0.1 -11,-0.0 -58,-0.1 193,-0.0 -0.329 50.0 167.7 -59.2 144.8 74.2 47.2 22.3 93 94 A A + 0 0 2 190,-0.1 -1,-0.1 -3,-0.1 132,-0.1 0.702 36.5 79.6-130.5 -54.9 71.4 46.2 19.9 94 95 A S S > S- 0 0 9 189,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.276 75.4-122.8 -63.7 148.7 72.1 45.0 16.3 95 96 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.898 114.7 53.9 -56.4 -39.2 73.3 41.4 15.8 96 97 A E H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.936 110.3 44.3 -59.9 -51.0 76.4 42.9 14.1 97 98 A T H > S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.897 110.7 56.0 -62.1 -43.1 77.3 45.2 17.1 98 99 A L H X S+ 0 0 0 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.924 111.8 40.7 -58.4 -47.6 76.6 42.4 19.5 99 100 A Q H >< S+ 0 0 22 -4,-2.3 3,-0.7 2,-0.2 -1,-0.2 0.940 115.1 52.1 -67.8 -44.6 79.1 40.0 17.9 100 101 A A H 3< S+ 0 0 80 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.964 113.5 43.6 -53.0 -55.8 81.6 42.7 17.3 101 102 A E H 3< S+ 0 0 105 -4,-3.0 2,-0.3 -5,-0.2 -1,-0.3 0.614 94.7 101.1 -66.6 -14.0 81.5 43.8 21.0 102 103 A A << - 0 0 15 -4,-0.9 -66,-0.1 -3,-0.7 -67,-0.1 -0.577 55.9-162.1 -78.6 135.9 81.6 40.2 22.2 103 104 A S + 0 0 96 -68,-0.3 2,-0.2 -2,-0.3 -1,-0.1 0.301 59.9 93.2 -98.0 7.6 84.9 38.9 23.5 104 105 A V S S- 0 0 9 -5,-0.1 2,-0.7 1,-0.0 20,-0.1 -0.534 83.4 -94.2 -99.5 168.0 84.1 35.2 23.3 105 106 A D - 0 0 134 -2,-0.2 2,-0.4 15,-0.1 19,-0.1 -0.705 37.0-166.1 -88.6 113.7 84.7 32.6 20.5 106 107 A V - 0 0 48 -2,-0.7 2,-0.1 -7,-0.1 -63,-0.0 -0.764 22.6-115.5 -98.0 139.7 81.8 32.1 18.1 107 108 A E - 0 0 15 -2,-0.4 163,-0.2 1,-0.1 -1,-0.0 -0.402 28.5-111.7 -71.8 147.1 81.7 29.1 15.7 108 109 A D - 0 0 83 1,-0.1 2,-0.6 -2,-0.1 -1,-0.1 -0.313 48.8 -85.6 -70.6 163.6 81.8 29.6 12.0 109 110 A E S S+ 0 0 31 2,-0.1 2,-0.2 77,-0.0 -1,-0.1 0.270 97.2 107.0 -59.5 15.3 78.6 28.7 10.2 110 111 A D S S- 0 0 39 -2,-0.6 2,-0.6 75,-0.1 75,-0.2 -0.572 71.1-119.1 -92.2 163.2 79.5 25.0 9.9 111 112 A V B -C 184 0C 13 73,-2.3 72,-2.5 -2,-0.2 73,-1.5 -0.893 29.8-169.4-106.2 119.8 77.9 22.3 12.1 112 113 A Y - 0 0 58 -2,-0.6 -59,-0.0 70,-0.3 5,-0.0 -0.609 33.2 -82.8-104.8 165.5 80.0 20.2 14.4 113 114 A D > - 0 0 66 -2,-0.2 4,-2.1 1,-0.1 -1,-0.2 -0.101 49.1-104.2 -55.1 163.5 79.4 17.0 16.4 114 115 A I H > S+ 0 0 35 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.857 117.1 54.7 -64.4 -37.4 77.7 17.5 19.8 115 116 A R H > S+ 0 0 140 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 110.8 46.4 -64.7 -38.7 80.8 17.0 22.0 116 117 A T H > S+ 0 0 54 2,-0.2 4,-2.3 3,-0.2 -2,-0.2 0.981 115.6 45.2 -64.8 -54.6 82.7 19.7 20.1 117 118 A S H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 3,-0.5 0.950 114.1 47.7 -51.9 -59.2 79.8 22.1 20.2 118 119 A L H X S+ 0 0 5 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.914 111.0 53.2 -49.6 -46.4 79.0 21.5 23.8 119 120 A A H X S+ 0 0 41 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.3 0.863 107.9 50.9 -58.5 -38.4 82.8 21.9 24.5 120 121 A N H X S+ 0 0 58 -4,-2.3 4,-1.7 -3,-0.5 -1,-0.2 0.914 110.0 48.9 -67.2 -42.1 82.7 25.3 22.8 121 122 A D H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.886 105.0 57.5 -64.7 -39.3 79.7 26.5 24.8 122 123 A M H X S+ 0 0 47 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.894 105.9 53.1 -57.9 -36.0 81.4 25.5 28.0 123 124 A A H X S+ 0 0 44 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.2 0.915 109.0 46.7 -64.2 -45.7 84.2 27.8 27.0 124 125 A I H X S+ 0 0 2 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.906 111.0 53.0 -63.8 -41.7 81.8 30.7 26.4 125 126 A Y H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.942 105.9 54.2 -59.1 -48.2 80.1 30.1 29.8 126 127 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.882 108.8 47.0 -54.1 -43.8 83.5 30.1 31.6 127 128 A D H X S+ 0 0 59 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.921 115.1 45.9 -65.8 -42.8 84.4 33.5 30.2 128 129 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.870 111.6 53.6 -66.5 -37.9 81.1 35.0 31.1 129 130 A I H X S+ 0 0 0 -4,-3.1 4,-1.6 -5,-0.2 -2,-0.2 0.906 112.9 41.6 -64.8 -42.8 81.2 33.4 34.5 130 131 A E H X S+ 0 0 84 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.892 114.4 51.3 -72.3 -39.0 84.6 34.9 35.4 131 132 A A H X S+ 0 0 23 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.879 111.1 50.0 -63.2 -38.9 83.7 38.3 33.9 132 133 A T H X S+ 0 0 7 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.846 103.0 57.8 -70.0 -37.8 80.5 38.3 35.9 133 134 A R H X S+ 0 0 11 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.905 110.7 45.1 -60.9 -39.6 82.2 37.5 39.2 134 135 A E H X S+ 0 0 127 -4,-1.5 4,-2.7 1,-0.2 3,-0.3 0.918 109.0 55.1 -69.6 -44.5 84.4 40.5 38.8 135 136 A H H X S+ 0 0 29 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.799 102.5 56.1 -60.7 -31.1 81.5 42.8 37.8 136 137 A T H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.905 109.9 46.1 -69.6 -36.6 79.5 42.0 40.9 137 138 A E H X S+ 0 0 80 -4,-1.1 4,-3.2 -3,-0.3 5,-0.3 0.947 110.2 53.4 -66.0 -47.9 82.5 43.1 43.0 138 139 A L H X S+ 0 0 54 -4,-2.7 4,-2.0 1,-0.2 6,-0.2 0.886 113.3 45.3 -52.4 -40.7 82.9 46.2 40.9 139 140 A A H <>S+ 0 0 1 -4,-2.0 5,-1.8 2,-0.2 -2,-0.2 0.913 111.6 48.2 -72.7 -45.4 79.2 46.9 41.5 140 141 A E H ><5S+ 0 0 61 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.921 114.9 48.8 -61.9 -39.2 79.2 46.2 45.3 141 142 A N H 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5,-0.2 0.911 100.5 56.6 -57.0 -45.1 52.4 35.2 8.8 332 157 B I H X S+ 0 0 106 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.893 110.3 45.0 -54.7 -42.0 49.1 35.8 10.5 333 158 B E H X S+ 0 0 96 -4,-0.9 4,-1.7 -5,-0.2 -2,-0.2 0.924 111.5 51.3 -69.3 -46.3 51.0 36.7 13.7 334 159 B L H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.895 108.6 52.1 -58.2 -43.6 53.5 39.0 11.9 335 160 B E H X S+ 0 0 71 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.845 106.5 53.4 -64.5 -34.2 50.7 40.9 10.2 336 161 B D H X S+ 0 0 75 -4,-1.3 4,-1.3 -5,-0.2 -1,-0.2 0.887 110.2 47.1 -69.7 -36.0 48.9 41.6 13.5 337 162 B D H X S+ 0 0 13 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.848 112.7 49.4 -72.4 -33.0 52.0 43.1 15.0 338 163 B A H X S+ 0 0 12 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.926 110.0 51.0 -69.6 -44.9 52.6 45.2 12.0 339 164 B H H X S+ 0 0 76 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.792 106.9 55.2 -62.7 -29.3 49.0 46.4 12.0 340 165 B H H X S+ 0 0 67 -4,-1.3 4,-1.6 2,-0.2 3,-0.5 0.944 106.4 49.3 -70.4 -44.6 49.4 47.3 15.6 341 166 B I H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.3 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-0.325 54.8-162.4 -61.1 134.9 45.1 64.5 24.3 352 177 B T > - 0 0 80 1,-0.1 4,-1.5 -2,-0.0 -2,-0.1 -0.903 32.2-117.9-120.4 149.4 43.7 67.9 23.7 353 178 B Q T 4 S+ 0 0 165 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.858 116.7 59.7 -52.0 -34.6 45.4 71.3 23.3 354 179 B G T 4 S+ 0 0 69 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 0.989 102.3 47.6 -56.3 -65.0 43.6 72.2 26.4 355 180 B A T 4 0 0 83 1,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.733 360.0 360.0 -48.9 -28.5 45.1 69.5 28.6 356 181 B L < 0 0 138 -4,-1.5 -1,-0.2 -3,-0.1 -2,-0.2 0.978 360.0 360.0 -56.6 360.0 48.5 70.4 27.3 357 !* 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 0.0 358 7 C A 0 0 85 0, 0.0 282,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 114.4 85.3 4.4 42.3 359 8 C R + 0 0 78 280,-2.7 2,-0.3 1,-0.2 281,-0.2 0.796 360.0 8.2 -68.1 -29.4 84.9 7.5 40.2 360 9 C A B S-E 639 0E 29 279,-1.4 279,-2.2 5,-0.0 2,-0.5 -0.983 71.2-129.5-149.6 157.1 85.6 9.8 43.2 361 10 C T > - 0 0 53 -2,-0.3 3,-2.9 277,-0.2 277,-0.1 -0.941 33.3-106.6-115.6 130.5 86.8 9.4 46.7 362 11 C A T 3 S+ 0 0 44 -2,-0.5 3,-0.1 1,-0.3 276,-0.1 -0.244 109.6 30.2 -49.6 130.3 85.1 10.9 49.7 363 12 C G T 3 S+ 0 0 60 1,-0.4 -1,-0.3 79,-0.3 2,-0.2 0.029 92.5 115.8 106.2 -26.6 87.3 13.8 50.8 364 13 C E < - 0 0 109 -3,-2.9 -1,-0.4 77,-0.0 2,-0.3 -0.532 42.0-170.2 -82.1 144.1 88.7 14.7 47.4 365 14 C V + 0 0 20 -2,-0.2 76,-0.3 76,-0.1 14,-0.3 -0.743 10.8 175.9-136.1 87.3 87.9 18.0 45.7 366 15 C E - 0 0 151 74,-1.6 9,-0.4 -2,-0.3 74,-0.2 0.491 35.6-143.0 -70.8 -1.4 89.0 18.3 42.1 367 16 C G - 0 0 3 72,-0.7 2,-0.3 8,-0.2 -1,-0.2 -0.343 25.6 -79.7 71.3-157.2 87.5 21.8 41.7 368 17 C S B > -F 373 0F 7 5,-3.0 5,-3.1 71,-0.1 -1,-0.1 -0.903 24.8-170.3-154.6 123.2 85.8 22.7 38.4 369 18 C D T > 5S+ 0 0 143 -2,-0.3 3,-0.8 3,-0.2 -1,-0.1 0.861 95.2 54.6 -75.4 -37.7 87.1 23.9 35.0 370 19 C A T 3 5S+ 0 0 2 1,-0.3 -1,-0.2 2,-0.1 -241,-0.1 0.889 114.2 40.4 -63.0 -41.1 83.6 24.7 33.8 371 20 C L T 3 5S- 0 0 0 67,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.379 109.3-125.4 -88.6 4.2 83.0 27.0 36.8 372 21 C R T < 5 + 0 0 63 -3,-0.8 2,-0.5 1,-0.2 -3,-0.2 0.911 63.0 142.5 50.8 47.4 86.6 28.3 36.6 373 22 C M B < -F 368 0F 5 -5,-3.1 -5,-3.0 4,-0.0 -1,-0.2 -0.967 44.6-140.3-122.8 113.2 87.1 27.3 40.2 374 23 C D > - 0 0 78 -2,-0.5 4,-2.8 -7,-0.2 3,-0.4 -0.482 22.6-116.8 -75.1 142.6 90.5 25.9 41.2 375 24 C A H > S+ 0 0 43 -9,-0.4 4,-1.8 1,-0.2 -8,-0.2 0.664 112.9 62.5 -51.2 -19.8 90.7 23.0 43.7 376 25 C D H > S+ 0 0 120 2,-0.2 4,-0.8 3,-0.1 -1,-0.2 0.982 112.7 30.5 -71.5 -58.9 92.5 25.3 46.1 377 26 C R H >> S+ 0 0 57 -3,-0.4 4,-1.1 1,-0.2 3,-1.1 0.945 119.3 58.5 -62.7 -49.1 89.7 27.9 46.5 378 27 C A H >X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.3 3,-1.1 0.910 96.8 58.1 -45.9 -60.3 87.1 25.2 46.0 379 28 C E H 3X S+ 0 0 92 -4,-1.8 4,-1.5 1,-0.3 -1,-0.3 0.779 101.2 58.7 -46.2 -32.6 88.2 22.9 48.9 380 29 C Q H S- 0 0 56 -2,-0.3 3,-0.7 1,-0.2 4,-0.2 -0.735 93.5 -37.3 116.8-164.1 47.9 18.4 71.7 409 58 C A T 3 S+ 0 0 97 -2,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.863 137.2 37.7 -73.6 -38.7 45.7 21.5 71.2 410 59 C E T 3> S+ 0 0 106 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.013 86.6 118.6-101.3 27.0 48.0 23.2 68.7 411 60 C F H <> S+ 0 0 90 -3,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.921 71.1 43.7 -59.3 -53.3 48.8 19.9 67.1 412 61 C R H > S+ 0 0 169 -3,-0.3 4,-1.8 -4,-0.2 5,-0.2 0.868 112.9 53.1 -65.8 -36.0 47.5 20.4 63.6 413 62 C D H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 116.0 39.5 -63.5 -44.8 49.0 23.9 63.3 414 63 C L H X S+ 0 0 6 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.826 108.7 62.3 -73.7 -33.2 52.4 22.6 64.3 415 64 C H H X S+ 0 0 46 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.926 110.7 39.0 -57.3 -46.5 52.0 19.5 62.2 416 65 C L H X S+ 0 0 86 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.905 116.5 51.1 -71.2 -44.2 51.8 21.6 59.1 417 66 C F H X S+ 0 0 12 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.954 112.1 45.3 -58.3 -53.0 54.5 24.1 60.2 418 67 C L H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.831 109.9 56.7 -62.1 -32.6 57.0 21.4 61.0 419 68 C G H X S+ 0 0 20 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.949 109.7 44.1 -63.5 -47.4 56.2 19.7 57.8 420 69 C E H X S+ 0 0 116 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4,-2.0 1,-0.2 -1,-0.2 0.887 108.4 52.1 -64.0 -39.3 69.9 19.6 48.2 431 80 C E H X S+ 0 0 89 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.920 112.8 44.9 -62.3 -45.1 71.3 23.0 47.3 432 81 C L H >X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 3,-0.8 0.982 112.5 49.5 -61.9 -60.1 74.4 22.4 49.5 433 82 C A H 3X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.843 114.2 46.4 -48.8 -39.6 75.0 18.9 48.3 434 83 C E H 3X S+ 0 0 50 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.3 0.772 110.3 51.9 -78.6 -25.0 74.8 20.0 44.6 435 84 C R H S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 3,-0.4 0.976 111.4 46.4 -62.0 -55.0 79.6 20.7 46.7 437 86 C Q H ><5S+ 0 0 16 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.808 111.1 54.7 -57.9 -30.1 79.4 18.2 43.8 438 87 C A H 3<5S+ 0 0 6 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.891 103.5 54.3 -71.2 -39.2 79.6 21.2 41.5 439 88 C L T 3<5S- 0 0 0 -4,-2.0 -72,-0.7 -3,-0.4 -1,-0.3 0.177 128.1 -98.0 -80.1 16.8 82.8 22.4 43.1 440 89 C G T < 5S+ 0 0 11 -3,-1.0 -74,-1.6 1,-0.2 -3,-0.2 0.471 85.8 122.2 82.8 2.8 84.4 19.0 42.5 441 90 C G < - 0 0 5 -5,-2.3 -1,-0.2 -76,-0.3 -76,-0.1 -0.101 63.8-116.0 -88.1-172.4 83.7 17.6 46.0 442 91 C V - 0 0 14 -78,-0.1 -79,-0.3 -3,-0.1 3,-0.1 -0.915 29.1-140.0-129.6 103.3 81.9 14.6 47.3 443 92 C P - 0 0 2 0, 0.0 138,-0.0 0, 0.0 -10,-0.0 -0.293 28.2-100.2 -64.1 143.1 78.8 15.4 49.4 444 93 C H + 0 0 30 1,-0.1 -11,-0.0 -58,-0.1 -57,-0.0 -0.331 50.0 167.7 -59.4 145.7 78.1 13.3 52.5 445 94 C A + 0 0 2 -3,-0.1 -1,-0.1 1,-0.1 132,-0.1 0.697 36.7 80.0-130.9 -54.3 75.4 10.8 51.7 446 95 C S S > S- 0 0 8 189,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.281 75.2-123.1 -64.2 148.7 74.6 7.9 54.1 447 96 C P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.895 114.7 53.7 -56.3 -39.3 72.4 8.6 57.1 448 97 C E H > S+ 0 0 118 175,-0.2 4,-2.3 1,-0.2 5,-0.2 0.928 110.4 44.4 -60.2 -50.6 75.3 7.3 59.3 449 98 C T H > S+ 0 0 24 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.902 110.6 55.9 -61.8 -44.2 77.8 9.6 57.7 450 99 C L H X S+ 0 0 0 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.932 111.8 40.7 -57.3 -49.2 75.5 12.6 57.9 451 100 C Q H < S+ 0 0 23 -4,-2.2 3,-0.5 2,-0.2 -1,-0.2 0.927 115.2 52.0 -66.7 -43.5 74.9 12.3 61.7 452 101 C A H < S+ 0 0 78 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.966 113.6 43.7 -54.6 -55.4 78.6 11.5 62.4 453 102 C E H < S+ 0 0 103 -4,-3.1 -1,-0.2 -5,-0.2 2,-0.2 0.639 95.0 100.5 -66.6 -15.8 79.7 14.6 60.4 454 103 C A < - 0 0 15 -4,-1.0 -66,-0.1 -3,-0.5 -67,-0.1 -0.540 56.1-161.8 -77.0 137.4 77.0 16.8 62.0 455 104 C S + 0 0 97 -68,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.300 59.8 92.8 -99.9 8.2 78.0 19.0 64.9 456 105 C V S S- 0 0 9 -5,-0.1 2,-0.7 1,-0.0 20,-0.1 -0.544 83.6 -93.9-100.3 168.9 74.6 19.7 66.3 457 106 C D - 0 0 134 -2,-0.2 2,-0.4 15,-0.1 19,-0.1 -0.712 37.0-166.1 -88.9 113.6 72.7 17.9 69.1 458 107 C V - 0 0 46 -2,-0.7 2,-0.1 -7,-0.1 -63,-0.0 -0.771 22.9-115.6 -98.0 138.2 70.3 15.2 68.0 459 108 C E - 0 0 15 -2,-0.4 163,-0.2 1,-0.1 -1,-0.0 -0.390 28.6-111.7 -70.6 146.1 67.7 13.7 70.3 460 109 C D - 0 0 84 1,-0.1 2,-0.5 -2,-0.1 -1,-0.1 -0.302 49.2 -85.2 -69.3 163.7 67.8 10.1 71.4 461 110 C E S S+ 0 0 30 2,-0.1 2,-0.2 77,-0.0 -1,-0.1 0.279 97.2 107.3 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-38.5 63.3 24.1 72.1 472 121 C N H X S+ 0 0 54 -4,-2.3 4,-1.7 -3,-0.4 -1,-0.2 0.898 110.4 49.0 -67.2 -40.8 65.8 21.5 70.8 473 122 C D H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.890 105.0 57.6 -66.3 -39.4 65.2 22.4 67.2 474 123 C M H X S+ 0 0 69 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.908 106.0 52.7 -56.6 -37.7 65.6 26.1 67.9 475 124 C A H X S+ 0 0 53 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.916 109.0 47.2 -63.0 -46.0 69.0 25.1 69.2 476 125 C I H X S+ 0 0 2 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.899 110.8 52.8 -63.7 -40.7 69.9 23.3 66.0 477 126 C Y H X S+ 0 0 1 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.947 105.7 54.8 -59.8 -48.6 68.7 26.3 63.9 478 127 C G H X S+ 0 0 28 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.890 108.7 46.2 -52.3 -47.0 70.9 28.6 65.8 479 128 C D H X S+ 0 0 71 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.920 115.3 46.3 -64.5 -42.7 74.1 26.7 65.2 480 129 C I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.873 111.5 53.3 -66.4 -37.4 73.2 26.3 61.5 481 130 C I H X S+ 0 0 16 -4,-3.2 4,-1.5 -5,-0.2 -2,-0.2 0.902 113.1 41.8 -65.4 -42.3 72.3 30.0 61.3 482 131 C E H X S+ 0 0 123 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.900 114.2 50.9 -72.3 -40.6 75.7 31.2 62.8 483 132 C A H X S+ 0 0 24 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.879 111.1 50.6 -61.7 -38.5 77.8 28.7 60.8 484 133 C T H X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.853 102.6 58.0 -70.2 -37.7 76.0 29.9 57.6 485 134 C R H X S+ 0 0 112 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.896 110.6 44.7 -60.5 -39.1 76.6 33.6 58.3 486 135 C E H X S+ 0 0 125 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.903 109.2 55.6 -71.0 -42.4 80.4 32.9 58.4 487 136 C H H X S+ 0 0 31 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.801 102.5 55.8 -62.7 -30.6 80.3 30.6 55.3 488 137 C T H X S+ 0 0 18 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.897 110.1 46.1 -70.3 -36.4 78.7 33.3 53.2 489 138 C E H X S+ 0 0 117 -4,-1.1 4,-3.2 2,-0.2 5,-0.3 0.943 110.3 53.3 -66.5 -47.5 81.6 35.7 54.1 490 139 C L H X S+ 0 0 55 -4,-2.7 4,-2.0 1,-0.2 6,-0.2 0.891 113.2 45.2 -53.0 -40.6 84.1 32.9 53.5 491 140 C A H <>S+ 0 0 1 -4,-2.0 5,-1.9 2,-0.2 -2,-0.2 0.923 111.7 48.3 -72.4 -45.9 82.5 32.6 50.0 492 141 C E H ><5S+ 0 0 42 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.917 114.8 48.9 -61.0 -39.6 82.3 36.3 49.2 493 142 C N H 3<5S+ 0 0 133 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.898 105.6 54.7 -65.6 -42.8 85.9 36.6 50.2 494 143 C L T 3<5S- 0 0 26 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.415 119.4-113.8 -71.7 4.2 87.0 33.6 48.2 495 144 C G T < 5S+ 0 0 10 -3,-1.1 2,-1.5 1,-0.2 3,-0.2 0.508 77.7 133.5 76.6 3.2 85.4 35.4 45.3 496 145 C D >< + 0 0 1 -5,-1.9 4,-1.9 -6,-0.2 -1,-0.2 -0.610 20.8 164.6 -88.7 78.0 82.8 32.7 45.0 497 146 C H H > + 0 0 3 -2,-1.5 4,-3.2 1,-0.2 5,-0.2 0.811 69.2 60.0 -64.4 -33.9 79.7 35.0 44.7 498 147 C A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.962 109.1 41.6 -59.8 -53.9 77.5 32.2 43.4 499 148 C T H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.871 115.1 52.4 -61.7 -39.1 77.9 30.1 46.5 500 149 C A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.967 110.0 48.2 -60.9 -52.4 77.7 33.2 48.7 501 150 C H H X S+ 0 0 10 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.915 110.9 50.6 -53.8 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