==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JUN-06 2H9A . COMPND 2 MOLECULE: CARBON MONOXIDE DEHYDROGENASE CORRINOID/IRON-SULF . SOURCE 2 ORGANISM_SCIENTIFIC: CARBOXYDOTHERMUS HYDROGENOFORMANS; . AUTHOR H.DOBBEK . 690 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 497 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.1 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 . 51 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 3 1 2 0 1 0 2 3 2 3 5 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 3 8 3 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 . 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 1 0 0 0 2 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 59 A P 0 0 121 0, 0.0 18,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 148.3 208.7 26.8 200.3 2 60 A P + 0 0 37 0, 0.0 2,-0.5 0, 0.0 19,-0.1 0.852 360.0 27.4 -46.3 -50.9 210.9 28.9 202.8 3 61 A V S S- 0 0 8 17,-0.4 16,-1.6 191,-0.0 200,-0.3 -0.980 85.2-124.6-126.0 123.8 211.2 32.1 200.8 4 62 A A - 0 0 30 198,-3.5 2,-0.5 -2,-0.5 15,-0.3 -0.213 24.9-119.4 -62.2 150.1 208.6 33.2 198.3 5 63 A L - 0 0 49 13,-0.3 2,-0.4 14,-0.1 13,-0.2 -0.833 36.0-172.0 -91.4 134.2 209.8 33.8 194.8 6 64 A I E -A 17 0A 3 11,-3.0 11,-2.6 -2,-0.5 2,-0.4 -0.986 9.3-153.2-130.5 140.9 209.1 37.5 193.9 7 65 A K E -A 16 0A 97 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.947 5.7-167.8-120.9 132.6 209.5 39.1 190.5 8 66 A V E -A 15 0A 0 7,-2.0 7,-2.3 -2,-0.4 112,-0.1 -0.966 65.9 -0.5-114.2 134.4 210.1 42.8 189.8 9 67 A G S S- 0 0 2 111,-3.4 2,-0.3 -2,-0.4 111,-0.1 -0.268 80.2-120.2 80.6-176.0 209.7 44.0 186.3 10 68 A K > + 0 0 121 109,-0.2 3,-1.2 1,-0.2 4,-0.1 -0.916 67.5 47.5-154.5-179.6 208.7 41.7 183.5 11 69 A G T 3 S- 0 0 64 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.0 0.883 120.1 -47.8 46.0 58.7 209.7 40.2 180.2 12 70 A E T 3 S+ 0 0 190 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.562 135.9 74.7 70.4 -0.2 213.3 39.0 180.5 13 71 A K S < S+ 0 0 66 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.250 78.9 124.3-113.1 -1.6 214.4 42.2 182.1 14 72 A V - 0 0 48 -5,-0.1 2,-0.5 84,-0.1 -5,-0.2 -0.122 58.7-141.9 -57.0 146.9 212.5 40.6 185.0 15 73 A L E -A 8 0A 14 -7,-2.3 -7,-2.0 -6,-0.1 2,-0.5 -0.982 13.8-165.8-118.3 124.9 214.3 40.0 188.3 16 74 A E E +A 7 0A 70 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.979 16.4 165.4-115.8 121.4 213.4 36.8 190.1 17 75 A I E +A 6 0A 0 -11,-2.6 -11,-3.0 -2,-0.5 2,-0.3 -0.969 32.6 42.9-137.0 150.7 214.4 36.5 193.7 18 76 A G + 0 0 4 14,-0.3 -13,-0.3 -2,-0.3 -14,-0.2 -0.772 49.7 108.9 116.7-163.2 213.6 34.3 196.6 19 77 A H + 0 0 74 -16,-1.6 2,-0.3 -15,-0.3 -15,-0.1 0.830 50.4 152.2 54.6 37.1 213.2 30.4 196.7 20 78 A E + 0 0 7 -16,-0.1 -17,-0.4 1,-0.1 -1,-0.2 -0.697 21.8 176.7 -91.0 148.8 216.5 30.1 198.6 21 79 A T + 0 0 54 8,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.482 52.3 57.9-135.0 -10.2 216.8 27.1 200.9 22 80 A V - 0 0 17 7,-0.2 3,-0.1 1,-0.1 172,-0.0 -0.792 54.9-149.4-122.8 167.3 220.3 27.1 202.5 23 81 A L S S+ 0 0 13 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.564 93.3 45.2-106.6 -18.4 222.4 29.5 204.6 24 82 A F S >> S- 0 0 21 1,-0.1 3,-2.4 5,-0.1 4,-0.6 -0.998 77.4-140.2-130.8 123.8 225.7 28.3 203.2 25 83 A R G >4 S+ 0 0 5 -2,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.784 100.6 64.7 -53.4 -32.2 226.1 27.8 199.4 26 84 A H G 34 S+ 0 0 35 1,-0.2 -1,-0.3 3,-0.1 229,-0.0 0.704 91.0 66.8 -69.1 -12.2 228.1 24.6 199.9 27 85 A D G <4 S- 0 0 102 -3,-2.4 -1,-0.2 0, 0.0 -2,-0.2 0.858 138.7 -43.2 -74.0 -31.5 225.0 23.0 201.5 28 86 A K S << S- 0 0 104 -3,-0.9 229,-0.3 -4,-0.6 2,-0.3 -0.012 90.8 -80.2-153.2 -86.3 223.3 23.2 198.1 29 87 A R - 0 0 98 226,-0.1 2,-0.4 227,-0.1 -8,-0.3 -0.870 38.8 -95.3 175.9 155.1 223.8 26.4 196.1 30 88 A F - 0 0 7 222,-0.4 -10,-0.1 224,-0.3 -7,-0.0 -0.745 38.2-158.3 -86.7 137.8 222.2 29.9 196.2 31 89 A E + 0 0 51 -2,-0.4 -1,-0.1 1,-0.2 -11,-0.1 0.868 64.4 35.9 -88.1 -39.8 219.5 29.9 193.6 32 90 A H S S- 0 0 48 -14,-0.2 -14,-0.3 -17,-0.0 -1,-0.2 -0.895 75.6-130.2-129.5 107.5 218.7 33.5 192.5 33 91 A P - 0 0 61 0, 0.0 -17,-0.2 0, 0.0 217,-0.1 -0.118 35.7-108.2 -48.1 132.4 221.4 36.2 192.1 34 92 A C - 0 0 0 195,-0.1 197,-0.3 191,-0.1 2,-0.2 -0.287 29.6-116.7 -66.2 149.3 220.4 39.4 193.9 35 93 A G E -b 231 0B 0 195,-2.3 197,-2.8 -3,-0.1 2,-0.5 -0.557 19.6-142.7 -83.4 152.7 219.4 42.4 191.9 36 94 A L E -b 232 0B 0 33,-0.2 35,-2.4 195,-0.2 36,-1.4 -0.969 17.9-165.9-114.3 125.1 221.5 45.5 192.1 37 95 A A E -bc 233 72B 0 195,-3.5 197,-3.3 -2,-0.5 2,-0.5 -0.844 8.5-148.5-111.4 147.5 219.6 48.9 191.9 38 96 A I E -bc 234 73B 0 34,-1.7 36,-3.4 -2,-0.3 2,-0.2 -0.940 22.3-119.5-117.2 138.4 220.9 52.4 191.4 39 97 A L E + c 0 74B 11 195,-2.4 2,-0.4 -2,-0.5 36,-0.2 -0.531 27.9 178.6 -80.8 138.8 219.4 55.4 192.9 40 98 A V E - c 0 75B 0 34,-2.9 36,-3.6 -2,-0.2 2,-0.3 -0.980 18.6-143.2-141.8 121.8 217.9 58.4 191.0 41 99 A E E > - c 0 76B 75 -2,-0.4 3,-1.4 34,-0.2 36,-0.2 -0.654 11.7-137.5 -88.3 137.9 216.3 61.4 192.7 42 100 A D T 3 S+ 0 0 2 34,-3.0 35,-0.1 -2,-0.3 -1,-0.1 0.431 95.2 76.3 -76.4 4.5 213.3 63.0 191.1 43 101 A T T 3 S+ 0 0 83 33,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.526 73.2 102.3 -92.1 -2.0 214.7 66.5 191.9 44 102 A L S < S- 0 0 53 -3,-1.4 -4,-0.0 1,-0.1 2,-0.0 -0.361 82.8-102.9 -72.5 154.8 217.1 66.2 189.0 45 103 A S > - 0 0 58 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.259 33.4-102.8 -72.1 170.1 216.2 68.0 185.8 46 104 A E H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.943 126.9 49.2 -57.5 -47.1 214.8 66.1 182.8 47 105 A G H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.869 112.1 48.3 -59.5 -38.8 218.3 66.3 181.3 48 106 A E H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.851 108.1 52.3 -71.6 -38.1 219.9 65.1 184.4 49 107 A I H X S+ 0 0 4 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.919 112.4 46.6 -65.0 -45.4 217.6 62.1 184.9 50 108 A K H X S+ 0 0 58 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.954 111.5 50.5 -62.2 -50.4 218.3 61.0 181.4 51 109 A E H X S+ 0 0 104 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.924 113.3 46.8 -53.7 -45.7 222.0 61.4 181.7 52 110 A R H X S+ 0 0 49 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.943 112.4 47.3 -63.5 -52.0 222.1 59.4 184.9 53 111 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.872 108.6 56.6 -58.9 -35.9 219.9 56.5 183.7 54 112 A E H X S+ 0 0 110 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.905 108.7 46.7 -62.1 -41.3 222.0 56.4 180.6 55 113 A K H < S+ 0 0 101 -4,-1.9 3,-0.3 -5,-0.2 -2,-0.2 0.900 109.8 54.1 -67.5 -37.3 225.1 55.9 182.9 56 114 A I H >< S+ 0 0 1 -4,-2.6 3,-2.1 1,-0.2 14,-0.3 0.928 103.6 55.1 -59.8 -43.2 223.1 53.3 184.7 57 115 A N H 3< S+ 0 0 62 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.816 102.3 58.7 -58.4 -32.1 222.4 51.4 181.4 58 116 A K T 3< S+ 0 0 159 -4,-1.2 2,-2.0 -3,-0.3 -1,-0.3 0.439 75.1 99.5 -75.8 -2.4 226.2 51.3 180.9 59 117 A L < + 0 0 1 -3,-2.1 11,-1.6 -4,-0.2 2,-0.4 -0.414 58.3 116.1 -84.8 63.7 226.7 49.4 184.2 60 118 A V E -J 69 0C 52 -2,-2.0 2,-0.4 9,-0.2 9,-0.2 -0.983 42.8-175.2-130.5 138.7 227.0 46.2 182.2 61 119 A F E -J 68 0C 7 7,-2.9 7,-2.2 -2,-0.4 2,-0.5 -0.996 28.1-123.0-141.3 142.9 230.1 44.0 182.0 62 120 A D E +J 67 0C 104 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.714 36.7 175.1 -83.1 129.8 231.1 40.9 180.2 63 121 A R E > -J 66 0C 26 3,-3.1 3,-2.6 -2,-0.5 223,-0.1 -0.992 66.8 -14.7-138.6 129.0 232.1 38.2 182.8 64 122 A V T 3 S- 0 0 25 -2,-0.4 222,-0.1 1,-0.3 -1,-0.1 0.911 131.0 -50.8 43.2 50.2 233.1 34.7 181.8 65 123 A G T 3 S+ 0 0 38 1,-0.2 2,-0.3 221,-0.1 -1,-0.3 0.527 120.3 99.1 72.7 6.5 231.6 35.3 178.4 66 124 A Q E < S-J 63 0C 102 -3,-2.6 -3,-3.1 -5,-0.1 2,-0.4 -0.949 73.6-117.6-127.7 147.5 228.3 36.6 179.5 67 125 A M E +J 62 0C 101 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.658 37.5 177.4 -82.0 133.5 226.8 40.1 179.9 68 126 A H E +J 61 0C 45 -7,-2.2 -7,-2.9 -2,-0.4 2,-0.3 -0.999 7.7 151.1-136.2 141.2 226.0 40.9 183.5 69 127 A S E -J 60 0C 16 -2,-0.3 -33,-0.2 -9,-0.2 -9,-0.2 -0.882 47.4 -66.1-156.5-175.7 224.6 44.1 184.9 70 128 A V - 0 0 2 -11,-1.6 -33,-0.2 -14,-0.3 3,-0.1 -0.384 41.9-158.4 -73.2 160.8 222.7 46.1 187.4 71 129 A N + 0 0 36 -35,-2.4 2,-0.3 1,-0.2 -34,-0.2 0.548 55.8 39.5-129.4 -3.5 218.9 45.4 187.1 72 130 A L E -c 37 0B 0 -36,-1.4 -34,-1.7 26,-0.2 2,-0.5 -0.979 56.4-141.3-148.7 152.0 216.8 48.2 188.6 73 131 A V E -cd 38 100B 0 26,-1.7 28,-2.1 -2,-0.3 2,-0.9 -0.984 19.8-150.0-114.3 123.2 216.6 51.9 188.7 74 132 A A E -cd 39 101B 0 -36,-3.4 -34,-2.9 -2,-0.5 2,-0.5 -0.826 11.4-160.9 -99.5 100.7 215.4 53.1 192.1 75 133 A L E -cd 40 102B 0 26,-2.0 28,-2.7 -2,-0.9 2,-0.5 -0.696 6.1-154.8 -83.9 125.0 213.6 56.4 191.5 76 134 A K E -cd 41 103B 81 -36,-3.6 -34,-3.0 -2,-0.5 2,-1.7 -0.899 14.2-141.6-108.4 124.8 213.3 58.4 194.7 77 135 A G > + 0 0 4 26,-3.1 3,-2.8 -2,-0.5 28,-0.2 -0.136 44.9 148.0 -75.5 44.7 210.6 61.0 195.2 78 136 A S T 3 + 0 0 32 -2,-1.7 -1,-0.2 1,-0.3 -37,-0.1 0.740 63.8 69.9 -50.4 -27.9 212.8 63.5 197.0 79 137 A S T 3 S- 0 0 32 -3,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.742 93.7-143.5 -61.4 -27.6 210.7 66.3 195.5 80 138 A Q < + 0 0 144 -3,-2.8 2,-0.4 1,-0.2 -1,-0.1 0.218 65.4 116.5 79.3 -15.7 207.8 65.2 197.8 81 139 A D > - 0 0 72 1,-0.1 4,-2.6 26,-0.0 -1,-0.2 -0.698 59.2-154.0 -90.5 129.1 205.6 66.2 194.8 82 140 A A H > S+ 0 0 29 -2,-0.4 4,-3.2 2,-0.2 5,-0.3 0.935 98.1 49.8 -70.5 -40.2 203.5 63.5 192.9 83 141 A A H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.956 113.6 46.8 -61.9 -45.8 203.5 65.4 189.6 84 142 A T H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.968 114.8 46.1 -60.2 -50.4 207.3 65.8 189.8 85 143 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.940 112.2 50.9 -56.1 -51.9 207.8 62.1 190.7 86 144 A A H X S+ 0 0 24 -4,-3.2 4,-2.2 1,-0.3 -1,-0.2 0.929 111.9 46.5 -56.2 -45.4 205.4 60.9 188.0 87 145 A K H X S+ 0 0 96 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.3 0.836 110.5 53.8 -65.0 -33.6 207.1 62.9 185.3 88 146 A A H X S+ 0 0 3 -4,-2.0 4,-2.7 -3,-0.3 -1,-0.2 0.888 108.9 47.6 -69.5 -41.4 210.6 61.8 186.5 89 147 A V H X S+ 0 0 4 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.914 111.4 51.5 -65.5 -40.8 209.7 58.1 186.3 90 148 A A H X S+ 0 0 37 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.951 110.8 49.0 -61.4 -45.4 208.2 58.7 182.8 91 149 A T H X S+ 0 0 2 -4,-2.4 4,-0.6 2,-0.2 3,-0.4 0.932 112.3 46.6 -56.8 -49.4 211.5 60.4 181.9 92 150 A A H >X S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 4,-0.6 0.910 109.3 56.8 -61.2 -35.9 213.6 57.5 183.2 93 151 A R H >< S+ 0 0 49 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.822 98.4 59.9 -66.4 -29.7 211.3 55.1 181.4 94 152 A E H 3< S+ 0 0 114 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.721 111.2 42.3 -70.8 -17.8 212.0 56.8 178.1 95 153 A V H << S+ 0 0 30 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 0.433 115.6 29.4-115.5 7.0 215.6 55.9 178.5 96 154 A T << - 0 0 14 -4,-0.6 -1,-0.1 -3,-0.6 -42,-0.1 -0.993 48.8-147.2-159.6 159.0 215.9 52.4 179.8 97 155 A D + 0 0 99 -2,-0.3 -4,-0.1 -3,-0.1 -1,-0.1 0.366 63.7 120.6-104.9 -2.4 214.1 49.1 179.9 98 156 A L S S- 0 0 7 1,-0.1 -26,-0.2 -89,-0.1 -2,-0.1 -0.386 71.5-110.5 -64.0 142.2 215.3 48.2 183.5 99 157 A P - 0 0 3 0, 0.0 -26,-1.7 0, 0.0 2,-0.2 -0.311 37.5-124.6 -69.3 157.2 212.4 47.7 185.9 100 158 A F E -d 73 0B 0 19,-0.3 22,-2.0 -28,-0.2 2,-0.5 -0.678 11.8-149.2-107.7 157.9 212.0 50.4 188.5 101 159 A I E -de 74 122B 1 -28,-2.1 -26,-2.0 -2,-0.2 2,-0.8 -0.992 26.0-146.4-117.2 124.1 211.8 50.5 192.3 102 160 A L E -de 75 123B 0 20,-3.1 22,-3.1 -2,-0.5 2,-0.7 -0.881 15.0-171.8-102.9 106.4 209.4 53.4 193.2 103 161 A I E +de 76 124B 19 -28,-2.7 -26,-3.1 -2,-0.8 2,-0.3 -0.828 40.5 86.9 -94.8 106.0 210.5 55.1 196.4 104 162 A G S S- 0 0 18 20,-1.1 -26,-0.1 -2,-0.7 -2,-0.1 -0.996 75.4 -58.8-179.6 179.9 207.9 57.7 197.4 105 163 A T > - 0 0 44 -2,-0.3 4,-2.8 -28,-0.2 5,-0.2 -0.299 57.3-101.2 -73.7 166.6 204.8 58.6 199.2 106 164 A P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.902 124.2 51.2 -55.2 -41.9 201.5 56.9 198.3 107 165 A E H > S+ 0 0 122 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.890 111.2 48.8 -65.7 -38.4 200.3 59.8 196.3 108 166 A Q H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 113.0 46.5 -67.5 -44.9 203.6 59.8 194.3 109 167 A L H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 -2,-0.2 0.920 109.7 54.1 -64.1 -39.1 203.5 56.1 193.6 110 168 A A H X S+ 0 0 31 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.897 110.2 45.4 -64.4 -39.8 199.8 56.3 192.5 111 169 A A H >X S+ 0 0 41 -4,-1.7 3,-0.7 1,-0.2 4,-0.5 0.954 117.6 46.5 -63.9 -45.6 200.4 59.0 189.9 112 170 A A H >X S+ 0 0 3 -4,-2.0 4,-3.0 1,-0.2 3,-1.2 0.877 105.3 58.4 -63.1 -43.8 203.5 57.1 188.7 113 171 A L H 3X S+ 0 0 1 -4,-3.4 4,-1.9 1,-0.3 5,-0.3 0.703 85.5 78.8 -63.9 -21.1 201.8 53.7 188.6 114 172 A E H << S+ 0 0 148 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.893 118.8 12.8 -54.4 -39.1 199.2 54.9 186.1 115 173 A T H X< S+ 0 0 77 -3,-1.2 3,-0.5 -4,-0.5 -2,-0.2 0.781 133.5 48.2-105.3 -36.9 201.9 54.6 183.5 116 174 A E H >< S+ 0 0 4 -4,-3.0 3,-2.5 1,-0.2 -3,-0.2 0.718 88.8 81.3 -78.5 -22.6 204.6 52.5 185.3 117 175 A G G >< S+ 0 0 10 -4,-1.9 3,-2.0 1,-0.3 -1,-0.2 0.847 82.9 64.8 -50.0 -38.2 202.4 49.8 186.7 118 176 A A G < S+ 0 0 70 -3,-0.5 -1,-0.3 -5,-0.3 -2,-0.1 0.755 97.3 58.4 -55.3 -27.9 202.5 48.0 183.4 119 177 A N G < S- 0 0 39 -3,-2.5 -1,-0.3 -4,-0.2 -19,-0.3 0.207 109.8-122.0 -93.5 15.0 206.2 47.5 184.0 120 178 A N < - 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0 0 0 -5,-1.4 -1,-0.2 -6,-0.2 26,-0.1 -0.824 52.8 -90.2-112.3 153.2 202.9 44.9 192.0 144 202 A P - 0 0 0 0, 0.0 -21,-2.7 0, 0.0 2,-0.4 -0.269 42.3-151.9 -65.2 150.7 205.5 43.7 194.5 145 203 A L E -fg 123 170B 0 24,-2.5 26,-2.1 -23,-0.2 2,-0.4 -0.986 9.2-139.0-131.0 126.2 205.5 45.7 197.8 146 204 A T E - g 0 171B 0 -23,-2.9 -20,-2.2 -2,-0.4 2,-0.6 -0.686 15.6-151.1 -80.0 134.3 208.4 46.4 200.1 147 205 A V E -fg 126 172B 0 24,-3.0 26,-2.2 -2,-0.4 2,-0.5 -0.966 19.3-164.8-107.5 118.4 207.3 46.2 203.8 148 206 A S E + g 0 173B 4 -22,-3.2 -20,-0.4 -2,-0.6 2,-0.3 -0.943 22.1 139.9-119.0 123.5 209.6 48.5 205.8 149 207 A A - 0 0 10 24,-2.1 2,-0.7 -2,-0.5 6,-0.1 -0.988 51.5-102.2-155.1 152.1 210.1 48.6 209.6 150 208 A K S S- 0 0 112 -2,-0.3 4,-0.5 4,-0.1 25,-0.2 -0.666 86.1 -4.0 -83.1 114.9 212.9 49.0 212.1 151 209 A G S > S- 0 0 11 23,-2.1 4,-2.1 -2,-0.7 5,-0.2 0.028 86.6 -79.3 91.7 163.0 213.9 45.7 213.6 152 210 A L H > S+ 0 0 16 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.894 122.9 51.1 -69.8 -41.4 212.7 42.1 213.3 153 211 A D H > S+ 0 0 132 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.960 114.3 41.7 -62.1 -55.9 209.7 42.4 215.7 154 212 A A H > S+ 0 0 42 -4,-0.5 4,-2.5 1,-0.2 5,-0.2 0.941 115.9 52.0 -57.5 -46.5 208.2 45.5 214.1 155 213 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.948 109.3 47.2 -56.1 -53.4 208.9 44.0 210.6 156 214 A A H X S+ 0 0 7 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.853 112.6 50.8 -58.0 -36.5 207.3 40.7 211.3 157 215 A E H X S+ 0 0 103 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.903 110.0 48.2 -71.2 -38.9 204.2 42.4 212.8 158 216 A L H X S+ 0 0 5 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.911 110.7 52.4 -66.6 -40.3 203.8 44.7 209.8 159 217 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.918 109.1 49.5 -60.9 -42.3 204.2 41.8 207.5 160 218 A Q H X S+ 0 0 101 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.886 110.7 50.2 -65.4 -38.0 201.4 39.9 209.4 161 219 A K H X S+ 0 0 87 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.936 114.0 44.7 -65.4 -44.1 199.2 42.9 209.2 162 220 A I H <>S+ 0 0 0 -4,-3.0 5,-1.8 1,-0.2 -2,-0.2 0.879 114.2 47.7 -68.9 -35.9 199.7 43.2 205.5 163 221 A T H ><5S+ 0 0 40 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.749 107.7 57.1 -77.2 -18.5 199.3 39.5 204.9 164 222 A A H 3<5S+ 0 0 83 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.845 101.2 57.1 -74.8 -34.9 196.2 39.7 207.0 165 223 A L T 3<5S- 0 0 73 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.412 128.0-103.2 -73.9 2.2 194.9 42.3 204.5 166 224 A G T < 5S+ 0 0 55 -3,-0.8 2,-0.5 1,-0.2 -3,-0.2 0.622 81.8 118.1 89.9 14.9 195.4 39.7 201.8 167 225 A Y < + 0 0 13 -5,-1.8 -1,-0.2 1,-0.1 -2,-0.2 -0.966 20.6 159.7-121.7 133.7 198.6 40.6 200.1 168 226 A K + 0 0 137 -2,-0.5 2,-1.7 -5,-0.1 -1,-0.1 0.215 41.4 109.4-132.6 13.5 201.7 38.4 199.9 169 227 A N + 0 0 46 -26,-0.1 -24,-2.5 34,-0.0 2,-0.3 -0.604 61.8 155.6 -90.7 76.4 203.8 39.7 197.0 170 228 A L E -g 145 0B 0 -2,-1.7 2,-0.3 -26,-0.2 -24,-0.2 -0.722 45.1-165.2-121.0 160.9 206.4 41.2 199.3 171 229 A I E -g 146 0B 0 -26,-2.1 -24,-3.0 -2,-0.3 2,-0.4 -0.961 29.9-129.7-129.1 144.4 210.0 42.3 199.8 172 230 A L E +gh 147 205B 0 32,-2.6 34,-2.9 -2,-0.3 -24,-0.2 -0.839 22.9 178.7-107.4 138.0 211.4 42.9 203.3 173 231 A D E -g 148 0B 2 -26,-2.2 -24,-2.1 -2,-0.4 34,-0.1 -0.880 5.1-178.6-133.6 99.8 213.3 45.9 204.7 174 232 A P - 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0 0 30 1,-0.1 -28,-0.6 -28,-0.1 -1,-0.2 -0.854 50.9-111.3-108.7 143.5 239.3 23.3 185.2 313 371 A S > - 0 0 28 -2,-0.4 4,-2.7 -30,-0.1 5,-0.3 0.069 41.7 -93.0 -58.4 174.0 241.8 26.2 184.9 314 372 A V H > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.919 123.2 35.9 -64.6 -45.7 245.3 25.6 183.5 315 373 A L H > S+ 0 0 104 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.835 116.9 56.3 -78.0 -28.3 247.3 24.9 186.6 316 374 A T H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 6,-0.2 0.984 112.3 38.9 -63.6 -58.6 244.3 23.1 188.2 317 375 A A H <>S+ 0 0 0 -4,-2.7 5,-3.4 1,-0.2 6,-0.7 0.905 115.2 56.1 -60.6 -36.7 244.0 20.6 185.3 318 376 A W H ><5S+ 0 0 130 -4,-1.7 3,-1.9 -5,-0.3 5,-0.3 0.969 108.7 44.2 -59.6 -51.5 247.7 20.3 185.0 319 377 A A H 3<5S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.813 110.5 57.0 -64.2 -26.5 248.2 19.3 188.6 320 378 A A T 3<5S- 0 0 58 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.204 117.7-112.6 -91.6 21.3 245.3 16.9 188.3 321 379 A G T < 5S+ 0 0 49 -3,-1.9 3,-0.3 1,-0.1 -3,-0.2 0.698 90.5 113.3 58.7 21.7 247.0 15.2 185.4 322 380 A K < + 0 0 88 -5,-3.4 -4,-0.3 -6,-0.2 -5,-0.1 0.323 65.4 54.9-108.2 11.3 244.3 16.5 183.1 323 381 A F S S+ 0 0 0 -6,-0.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.459 77.6 149.7-135.9 60.0 246.3 18.9 181.0 324 382 A T > - 0 0 44 -3,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.505 62.0-107.8 -94.0 164.6 249.1 16.6 179.7 325 383 A P H > S+ 0 0 15 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.916 122.4 51.7 -53.1 -43.9 251.1 16.6 176.5 326 384 A E H > S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.938 109.7 47.5 -61.3 -47.7 249.1 13.6 175.4 327 385 A K H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 114.3 45.7 -64.0 -39.8 245.7 15.2 176.1 328 386 A I H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.931 111.8 52.0 -69.8 -43.2 246.6 18.4 174.3 329 387 A A H X S+ 0 0 14 -4,-2.7 4,-1.6 -5,-0.3 5,-0.2 0.933 108.5 51.3 -56.4 -48.3 248.0 16.6 171.3 330 388 A Q H X S+ 0 0 105 -4,-2.6 4,-3.5 1,-0.2 -1,-0.2 0.910 108.3 51.6 -60.3 -35.8 244.8 14.5 171.1 331 389 A F H X S+ 0 0 6 -4,-1.7 4,-3.6 1,-0.2 6,-0.3 0.869 102.0 60.8 -69.6 -31.6 242.7 17.8 171.1 332 390 A L H < S+ 0 0 4 -4,-2.0 6,-0.6 2,-0.2 5,-0.4 0.889 116.7 32.1 -58.8 -38.3 244.9 19.2 168.3 333 391 A K H >< S+ 0 0 84 -4,-1.6 3,-0.9 -3,-0.2 -2,-0.2 0.909 119.9 53.2 -84.5 -41.4 243.7 16.2 166.2 334 392 A E H 3< S+ 0 0 117 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.878 103.8 56.7 -55.5 -48.5 240.2 16.0 167.9 335 393 A S T 3< S- 0 0 22 -4,-3.6 -69,-0.4 -5,-0.2 -1,-0.2 0.601 97.8-130.8 -66.9 -16.7 239.4 19.7 167.3 336 394 A G X> + 0 0 36 -3,-0.9 3,-0.8 -4,-0.3 4,-0.5 0.626 63.3 137.2 72.1 12.7 239.8 19.7 163.4 337 395 A I H >> + 0 0 0 -5,-0.4 3,-1.1 -6,-0.3 4,-0.8 0.801 57.9 69.9 -61.5 -31.0 242.0 22.8 163.8 338 396 A A H >4 S+ 0 0 46 -6,-0.6 3,-0.8 1,-0.3 -1,-0.2 0.892 93.0 54.8 -57.3 -39.9 244.5 21.4 161.2 339 397 A E H <4 S+ 0 0 176 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.749 106.1 58.5 -62.0 -25.6 242.0 21.8 158.3 340 398 A K H << S+ 0 0 73 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 0.712 101.9 50.4 -78.4 -29.0 241.8 25.5 159.4 341 399 A V << - 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0 0 11 -22,-3.0 -17,-0.1 -2,-0.7 4,-0.1 -0.129 33.0 -63.9 -85.2-174.3 253.4 32.0 175.3 371 429 A P - 0 0 39 0, 0.0 -21,-2.5 0, 0.0 -20,-0.3 -0.221 45.5-117.9 -63.9 161.3 253.4 34.5 178.2 372 430 A R S S+ 0 0 205 -22,-0.3 2,-0.4 -23,-0.2 -21,-0.3 0.834 102.8 51.7 -73.1 -26.3 252.3 33.1 181.6 373 431 A E S > S- 0 0 102 1,-0.1 3,-2.3 -23,-0.1 4,-0.2 -0.912 81.8-134.6-113.0 136.2 249.4 35.6 181.5 374 432 A S G > S+ 0 0 32 -2,-0.4 3,-1.8 1,-0.3 4,-0.3 0.743 100.6 77.4 -57.0 -20.4 247.0 35.9 178.6 375 433 A S G 3 S+ 0 0 62 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.789 88.3 55.6 -61.5 -26.5 247.4 39.6 179.0 376 434 A G G <> S+ 0 0 24 -3,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.363 78.6 98.5 -87.7 8.9 250.8 39.5 177.3 377 435 A I H <> S+ 0 0 11 -3,-1.8 4,-2.9 1,-0.2 5,-0.3 0.892 77.6 54.5 -63.8 -41.9 249.4 37.8 174.2 378 436 A N H > S+ 0 0 86 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.923 112.4 42.9 -57.1 -46.8 249.2 41.1 172.2 379 437 A S H > S+ 0 0 90 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.812 113.1 53.8 -71.2 -30.3 252.8 41.8 172.7 380 438 A F H < S+ 0 0 64 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.910 111.8 44.2 -69.0 -43.5 253.7 38.1 172.1 381 439 A I H < S+ 0 0 59 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.889 110.5 54.9 -69.6 -37.8 251.9 38.2 168.7 382 440 A K H < 0 0 83 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.983 360.0 360.0 -56.0 -56.6 253.3 41.6 167.7 383 441 A Q < 0 0 120 -4,-1.9 -1,-0.0 -5,-0.1 -4,-0.0 -0.414 360.0 360.0 -61.5 360.0 257.0 40.3 168.3 384 !* 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 0.0 385 3 B V 0 0 107 0, 0.0 2,-0.2 0, 0.0 -229,-0.1 0.000 360.0 360.0 360.0 161.5 209.3 34.7 216.9 386 4 B E - 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