==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-NOV-03 1RHC . COMPND 2 MOLECULE: F420-DEPENDENT ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCULLEUS THERMOPHILUS; . AUTHOR S.W.AUFHAMMER,E.WARKENTIN,H.BERK,S.SHIMA,R.K.THAUER,U.ERMLER . 330 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.5 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 0.3 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 . 24 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 3 1 3 0 1 2 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 2 1 1 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 1 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 1 A M 0 0 112 0, 0.0 2,-0.1 0, 0.0 220,-0.1 0.000 360.0 360.0 360.0 119.0 13.4 14.8 7.1 2 2 A K - 0 0 108 1,-0.1 2,-0.4 302,-0.0 328,-0.1 -0.452 360.0-111.9 -73.6 144.8 14.6 11.6 8.8 3 3 A T - 0 0 5 326,-0.1 2,-0.4 -2,-0.1 301,-0.2 -0.628 32.6-168.6 -79.3 127.5 15.5 11.7 12.6 4 4 A Q E -a 304 0A 61 299,-2.6 301,-2.4 -2,-0.4 2,-0.6 -0.931 9.0-151.0-116.1 142.1 19.2 11.3 13.4 5 5 A I E -a 305 0A 0 -2,-0.4 27,-3.0 299,-0.2 28,-0.7 -0.946 20.5-179.7-118.4 115.1 20.4 10.7 16.9 6 6 A G E -ab 306 33A 0 299,-2.6 301,-2.5 -2,-0.6 2,-0.4 -0.725 22.9-127.2-114.7 164.6 23.9 12.0 17.7 7 7 A Y E -ab 307 34A 0 26,-2.8 28,-2.8 -2,-0.3 2,-0.7 -0.908 10.7-148.3-113.8 129.7 26.1 12.0 20.8 8 8 A F E -ab 308 35A 5 299,-2.8 301,-0.9 -2,-0.4 2,-0.8 -0.893 12.4-164.7-100.7 115.2 27.7 15.2 22.2 9 9 A A - 0 0 0 26,-2.4 28,-0.4 -2,-0.7 2,-0.3 -0.883 18.2-139.9-102.5 102.8 31.1 14.2 23.7 10 10 A S > - 0 0 2 -2,-0.8 4,-0.8 299,-0.2 9,-0.1 -0.477 23.9-171.0 -76.2 131.6 32.1 17.2 25.9 11 11 A L T 4 S+ 0 0 2 -2,-0.3 40,-1.8 2,-0.2 -1,-0.1 0.227 92.1 52.3 -95.3 8.3 35.7 18.4 26.1 12 12 A E T 4 S+ 0 0 2 38,-0.2 37,-2.8 3,-0.1 -1,-0.1 0.724 114.2 37.1-106.3 -44.7 34.7 20.7 29.0 13 13 A Q T 4 S+ 0 0 35 35,-0.2 2,-0.3 2,-0.1 -2,-0.2 0.743 124.5 35.5 -82.0 -21.5 33.0 18.1 31.3 14 14 A Y S < S- 0 0 29 -4,-0.8 37,-0.3 37,-0.0 35,-0.1 -0.911 89.0 -99.5-132.3 157.2 35.5 15.3 30.5 15 15 A R > - 0 0 170 -2,-0.3 4,-2.5 1,-0.1 3,-0.2 -0.421 44.9-110.8 -67.2 151.2 39.2 14.9 29.7 16 16 A P H > S+ 0 0 47 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.844 116.3 49.1 -57.0 -38.7 39.8 14.6 26.0 17 17 A M H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.875 111.3 51.6 -69.8 -33.2 40.9 11.0 26.0 18 18 A D H > S+ 0 0 70 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.951 109.6 49.4 -64.5 -44.8 37.8 10.1 28.1 19 19 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.873 108.6 54.5 -61.5 -35.2 35.6 12.0 25.5 20 20 A L H X S+ 0 0 16 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.927 107.9 48.8 -63.7 -45.7 37.3 10.0 22.7 21 21 A E H X S+ 0 0 114 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.887 109.7 52.2 -62.5 -38.8 36.4 6.7 24.4 22 22 A Q H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.895 108.0 52.2 -61.8 -40.8 32.8 7.8 24.8 23 23 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.900 109.3 48.6 -63.1 -42.1 32.7 8.7 21.1 24 24 A I H X S+ 0 0 46 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.936 113.9 46.7 -63.0 -44.7 33.9 5.2 20.2 25 25 A R H X S+ 0 0 91 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.882 109.5 54.8 -65.4 -37.8 31.4 3.6 22.5 26 26 A A H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-1.1 0.902 106.7 51.2 -62.0 -42.3 28.6 5.8 21.1 27 27 A E H ><5S+ 0 0 31 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.923 109.8 49.7 -61.5 -43.4 29.3 4.7 17.6 28 28 A K H 3<5S+ 0 0 150 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.870 107.6 53.7 -64.0 -36.8 29.1 1.1 18.7 29 29 A V H 3<5S- 0 0 20 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.697 126.7 -96.3 -71.4 -21.4 25.8 1.6 20.4 30 30 A G T <<5 + 0 0 30 -4,-1.1 -3,-0.2 -3,-0.5 -25,-0.2 0.532 65.3 154.6 121.1 5.2 24.3 3.1 17.3 31 31 A F < - 0 0 7 -5,-2.2 -1,-0.2 1,-0.1 -25,-0.2 -0.388 37.2-143.4 -64.4 147.7 24.5 6.8 17.4 32 32 A D S S+ 0 0 32 -27,-3.0 36,-1.6 1,-0.1 2,-0.3 0.752 73.5 6.3 -83.5 -26.3 24.6 8.4 13.9 33 33 A S E -bc 6 68A 0 -28,-0.7 -26,-2.8 34,-0.2 2,-0.4 -0.948 60.0-135.3-153.9 165.7 26.9 11.2 14.7 34 34 A V E -bc 7 69A 0 34,-2.6 36,-1.7 -2,-0.3 2,-0.3 -0.994 18.9-166.9-131.5 137.6 29.2 12.7 17.3 35 35 A W E -bc 8 70A 0 -28,-2.8 -26,-2.4 -2,-0.4 2,-0.4 -0.933 2.1-162.9-125.7 147.3 29.4 16.4 18.2 36 36 A V E - c 0 71A 0 34,-1.6 36,-2.6 -2,-0.3 -26,-0.2 -0.991 19.4-120.1-138.5 139.9 31.9 18.3 20.2 37 37 A D - 0 0 3 -2,-0.4 2,-0.6 -28,-0.4 36,-0.2 -0.416 17.6-146.1 -74.6 151.5 32.1 21.6 21.9 38 38 A D + 0 0 2 35,-0.7 37,-0.3 -2,-0.1 2,-0.3 -0.849 39.1 148.7-124.1 92.4 34.7 24.2 20.9 39 39 A H - 0 0 17 -2,-0.6 14,-0.2 12,-0.5 72,-0.1 -0.840 44.5-168.3-126.1 160.9 35.8 26.2 23.9 40 40 A F S S+ 0 0 94 1,-0.4 71,-0.2 -2,-0.3 -1,-0.1 0.676 91.8 28.2-109.8 -46.5 38.7 28.0 25.5 41 41 A H S S- 0 0 51 220,-0.0 -1,-0.4 69,-0.0 2,-0.1 -0.931 88.5-120.2-114.4 146.3 37.1 28.4 29.0 42 42 A P - 0 0 15 0, 0.0 223,-0.1 0, 0.0 8,-0.1 -0.399 15.5-119.5 -85.3 159.8 34.4 26.0 30.5 43 43 A W S S+ 0 0 4 -2,-0.1 2,-0.3 222,-0.1 205,-0.2 0.500 101.2 33.7 -71.1 -7.3 30.8 26.6 31.6 44 44 A Y - 0 0 28 1,-0.1 219,-0.2 203,-0.1 220,-0.1 -0.983 67.7-148.4-147.2 151.5 31.8 25.5 35.1 45 45 A H > + 0 0 82 217,-0.5 3,-1.6 -2,-0.3 2,-0.1 0.914 68.8 86.4 -90.8 -47.8 34.9 25.8 37.1 46 46 A D T 3 S- 0 0 77 1,-0.3 -2,-0.0 216,-0.1 199,-0.0 -0.343 113.1 -14.3 -63.5 126.0 35.0 22.7 39.4 47 47 A N T 3 S+ 0 0 156 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.715 101.2 150.8 57.3 25.4 36.7 19.6 37.8 48 48 A A < - 0 0 24 -3,-1.6 2,-0.2 -6,-0.1 -35,-0.2 -0.472 29.2-170.5 -90.9 159.3 36.4 21.2 34.4 49 49 A Q - 0 0 69 -37,-2.8 -34,-0.1 -2,-0.1 -38,-0.1 -0.704 11.4-162.4-127.8 175.7 38.6 20.8 31.2 50 50 A S - 0 0 37 -2,-0.2 -38,-0.2 -9,-0.1 2,-0.1 -0.356 19.4-177.0-160.9 78.3 38.6 22.8 27.9 51 51 A A - 0 0 17 -40,-1.8 -12,-0.5 -37,-0.3 2,-0.5 -0.437 37.0 -99.0 -80.6 154.0 40.4 20.7 25.3 52 52 A Q > - 0 0 79 1,-0.1 4,-1.7 -2,-0.1 5,-0.1 -0.604 31.6-151.3 -78.9 122.6 41.0 22.1 21.8 53 53 A A H > S+ 0 0 0 -2,-0.5 4,-2.2 -14,-0.2 -1,-0.1 0.761 84.6 55.1 -68.0 -32.9 38.3 20.6 19.5 54 54 A W H > S+ 0 0 36 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.911 110.3 45.5 -71.6 -42.9 40.0 20.5 16.1 55 55 A A H > S+ 0 0 74 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.927 114.4 50.6 -63.0 -43.6 43.0 18.5 17.3 56 56 A W H X S+ 0 0 14 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.897 105.6 56.8 -61.7 -40.0 40.6 16.2 19.2 57 57 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.871 101.8 54.5 -63.2 -36.5 38.5 15.8 16.0 58 58 A G H X S+ 0 0 23 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.2 0.932 112.4 44.8 -61.4 -43.7 41.4 14.5 14.0 59 59 A A H X S+ 0 0 47 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.937 114.1 48.8 -64.9 -42.8 42.0 11.8 16.6 60 60 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.888 110.3 49.9 -67.6 -40.2 38.2 10.9 16.9 61 61 A L H < S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.891 113.4 47.3 -62.7 -40.0 37.7 10.6 13.1 62 62 A Q H < S+ 0 0 134 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.872 113.3 48.2 -69.4 -36.8 40.8 8.3 12.9 63 63 A A H < S+ 0 0 48 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.688 108.1 62.4 -77.6 -20.5 39.6 6.2 15.9 64 64 A T < - 0 0 9 -4,-1.4 -40,-0.1 -5,-0.2 -41,-0.0 -0.502 68.8-144.0-103.1 175.2 36.0 5.7 14.7 65 65 A K S S- 0 0 157 -2,-0.2 -1,-0.1 -41,-0.1 -41,-0.0 0.864 75.7 -14.1-108.8 -45.8 34.6 4.1 11.6 66 66 A K S S+ 0 0 171 2,-0.1 -5,-0.0 33,-0.0 -2,-0.0 0.629 83.4 121.3-137.7 -18.3 31.6 5.8 10.1 67 67 A V - 0 0 8 1,-0.1 2,-0.3 -34,-0.1 -34,-0.2 -0.136 62.3-117.3 -56.4 147.6 29.9 8.3 12.3 68 68 A F E -c 33 0A 35 -36,-1.6 -34,-2.6 32,-0.1 2,-0.4 -0.671 34.3-162.0 -79.8 138.8 29.6 11.9 11.1 69 69 A I E +cd 34 100A 0 30,-2.9 32,-2.0 -2,-0.3 2,-0.3 -0.989 17.7 158.1-130.2 137.2 31.5 14.3 13.4 70 70 A S E -cd 35 101A 0 -36,-1.7 -34,-1.6 -2,-0.4 32,-0.2 -0.976 40.9-103.6-148.6 156.1 31.1 18.0 13.7 71 71 A T E -c 36 0A 0 30,-0.6 -34,-0.2 -2,-0.3 3,-0.2 -0.438 28.2-134.2 -75.4 165.1 31.9 20.8 16.2 72 72 A C S S- 0 0 8 -36,-2.6 32,-0.1 1,-0.4 -37,-0.1 -0.569 86.0 -13.1-158.6 76.2 28.9 22.2 18.1 73 73 A I - 0 0 37 30,-0.3 -35,-0.7 -36,-0.2 2,-0.6 0.704 59.6-172.2-132.0 172.9 29.8 24.9 17.7 74 74 A T B -e 104 0A 0 29,-3.3 31,-0.7 -3,-0.2 -35,-0.1 -0.928 22.2-145.5-108.5 118.5 32.9 26.8 16.4 75 75 A C - 0 0 3 -2,-0.6 3,-0.3 -37,-0.3 5,-0.3 -0.745 16.4-171.9 -81.7 114.8 32.9 30.6 16.8 76 76 A P + 0 0 0 0, 0.0 9,-0.1 0, 0.0 -1,-0.1 0.120 58.7 76.3 -98.5 28.0 34.8 31.8 13.7 77 77 A I S S+ 0 0 5 28,-0.2 4,-0.1 4,-0.1 29,-0.0 0.630 99.1 4.6-117.1 -14.4 35.1 35.5 14.4 78 78 A M S S+ 0 0 40 -3,-0.3 34,-0.0 3,-0.1 29,-0.0 0.504 127.1 29.9-134.9 -74.1 37.7 36.5 17.0 79 79 A R S S+ 0 0 41 -4,-0.1 2,-0.4 2,-0.0 33,-0.0 0.748 124.9 51.0 -67.7 -22.4 40.1 34.0 18.6 80 80 A Y S S- 0 0 30 -5,-0.3 3,-0.0 4,-0.0 -1,-0.0 -0.929 84.1-133.1-114.3 142.3 39.8 31.9 15.4 81 81 A N >> - 0 0 89 -2,-0.4 4,-1.8 1,-0.1 3,-0.8 -0.805 19.6-133.7 -90.1 129.9 40.4 33.4 11.9 82 82 A P H 3> S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.779 103.6 56.7 -58.0 -30.2 37.6 32.3 9.6 83 83 A A H 3> S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.856 107.4 49.8 -68.3 -36.2 39.9 31.3 6.7 84 84 A I H <> S+ 0 0 73 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.869 109.1 51.6 -69.4 -37.3 41.7 28.9 9.1 85 85 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 5,-0.3 0.934 109.7 50.7 -62.9 -43.0 38.4 27.4 10.2 86 86 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.922 111.8 47.0 -59.7 -42.6 37.6 26.9 6.6 87 87 A Q H X S+ 0 0 97 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.908 108.4 55.4 -65.4 -44.2 41.0 25.2 6.0 88 88 A T H X S+ 0 0 29 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.940 113.1 38.8 -57.2 -49.0 40.6 22.9 9.1 89 89 A F H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.825 113.3 54.5 -77.5 -28.5 37.3 21.4 8.1 90 90 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.911 110.3 49.5 -66.0 -40.5 38.1 21.1 4.4 91 91 A T H X S+ 0 0 44 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.958 112.2 46.0 -61.9 -48.6 41.3 19.2 5.4 92 92 A L H X S+ 0 0 14 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.905 112.3 50.8 -65.1 -39.4 39.4 16.8 7.7 93 93 A R H < S+ 0 0 18 -4,-2.3 72,-0.3 2,-0.2 -1,-0.2 0.847 108.0 52.5 -68.5 -30.2 36.7 16.2 5.2 94 94 A Q H < S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.920 114.1 44.0 -68.4 -38.9 39.3 15.4 2.5 95 95 A M H < S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.860 126.7 30.0 -68.3 -36.9 40.8 12.9 4.9 96 96 A Y S >< S- 0 0 30 -4,-2.5 3,-2.1 -5,-0.2 -1,-0.3 -0.716 90.8-145.6-127.6 76.0 37.5 11.4 6.0 97 97 A P T 3 S- 0 0 79 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.143 76.7 -1.4 -48.3 134.5 35.1 11.7 3.1 98 98 A G T 3 S+ 0 0 42 68,-0.2 -5,-0.1 -5,-0.2 -4,-0.1 0.457 111.9 91.0 63.9 7.4 31.5 12.4 4.0 99 99 A R < + 0 0 28 -3,-2.1 -30,-2.9 -6,-0.2 2,-0.4 0.289 68.2 81.0-113.6 8.5 32.1 12.2 7.7 100 100 A V E +d 69 0A 0 -4,-0.2 2,-0.3 -32,-0.2 -30,-0.2 -0.959 41.3 155.5-129.0 134.7 32.9 15.9 8.6 101 101 A G E -d 70 0A 0 -32,-2.0 -30,-0.6 -2,-0.4 2,-0.3 -0.820 22.7-144.7-138.0 174.0 30.8 19.0 9.2 102 102 A V E - f 0 170A 0 67,-1.9 69,-2.8 -2,-0.3 2,-0.4 -0.990 4.0-158.0-140.7 148.7 31.2 22.3 11.1 103 103 A A E - f 0 171A 0 -2,-0.3 -29,-3.3 67,-0.2 2,-0.3 -0.974 14.5-166.1-124.2 144.1 28.7 24.4 13.1 104 104 A V E +ef 74 172A 0 67,-2.8 69,-2.9 -2,-0.4 2,-0.3 -0.861 11.5 164.4-127.6 164.3 29.2 28.1 13.7 105 105 A G - 0 0 2 -31,-0.7 -28,-0.2 -2,-0.3 69,-0.1 -0.971 50.0 -86.5-168.1 170.2 27.7 30.8 15.9 106 106 A A S S- 0 0 24 -2,-0.3 22,-0.1 67,-0.3 -31,-0.1 0.459 70.8-121.7 -68.2 -8.5 28.2 34.2 17.3 107 107 A G - 0 0 13 19,-0.0 2,-0.3 -29,-0.0 -1,-0.2 -0.124 9.4-100.0 98.2 171.5 30.3 33.2 20.3 108 108 A E >> - 0 0 30 1,-0.1 4,-1.8 -33,-0.0 3,-1.5 -0.988 24.7-127.2-135.5 141.1 30.4 33.3 24.1 109 109 A A H 3> S+ 0 0 0 145,-0.5 4,-2.2 148,-0.4 151,-0.1 0.854 104.7 68.7 -60.7 -31.9 32.5 35.8 26.1 110 110 A M H 34 S+ 0 0 2 149,-0.4 -1,-0.3 144,-0.3 150,-0.1 0.738 109.6 34.1 -61.0 -23.3 34.1 33.0 28.1 111 111 A N H <4 S+ 0 0 5 -3,-1.5 4,-0.4 -71,-0.2 -1,-0.2 0.819 124.6 38.2 -97.3 -39.3 36.0 31.8 25.0 112 112 A E H >X S+ 0 0 0 -4,-1.8 3,-0.6 2,-0.1 4,-0.6 0.883 109.4 54.7 -84.1 -40.3 36.7 35.0 23.2 113 113 A V H >X S+ 0 0 7 -4,-2.2 4,-2.9 -5,-0.3 3,-1.4 0.931 97.0 61.1 -65.0 -45.1 37.5 37.5 25.9 114 114 A P H 34 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.772 116.0 33.5 -54.2 -25.1 40.3 35.7 27.7 115 115 A V H <4 S+ 0 0 68 -3,-0.6 -2,-0.2 -4,-0.4 -3,-0.1 0.363 133.0 24.9-115.6 6.7 42.5 35.6 24.6 116 116 A T H << S- 0 0 48 -3,-1.4 -3,-0.2 -4,-0.6 3,-0.1 0.494 83.7-135.8-136.4 -26.7 41.5 38.9 22.9 117 117 A G < + 0 0 48 -4,-2.9 2,-0.3 -5,-0.4 -4,-0.2 0.531 69.6 110.6 77.4 5.4 40.3 41.2 25.6 118 118 A E + 0 0 128 -6,-0.4 -1,-0.2 -5,-0.1 -2,-0.1 -0.839 39.1 174.7-117.5 151.5 37.4 42.3 23.3 119 119 A W - 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0 0 25 -3,-1.7 3,-2.0 1,-0.1 4,-0.3 -0.924 66.7-159.4-112.6 98.6 20.9 31.8 31.8 252 252 A P G > S+ 0 0 86 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.804 85.6 64.9 -49.0 -38.4 20.4 34.0 28.7 253 253 A S G >> S+ 0 0 29 1,-0.3 4,-3.0 2,-0.2 3,-1.5 0.744 86.3 72.4 -62.3 -20.3 22.7 36.8 29.8 254 254 A M G <4 S+ 0 0 3 -3,-2.0 -145,-0.5 1,-0.3 -144,-0.3 0.704 97.4 50.4 -67.5 -17.5 25.7 34.4 29.7 255 255 A F G <4 S+ 0 0 29 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.406 122.5 29.9 -96.4 0.1 25.5 34.6 25.9 256 256 A K T <4 S+ 0 0 118 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.669 101.7 77.6-125.5 -44.3 25.4 38.4 25.8 257 257 A Y S < S- 0 0 149 -4,-3.0 2,-1.8 1,-0.1 -148,-0.4 -0.290 85.6-107.0 -75.5 160.8 27.3 39.8 28.8 258 258 A K + 0 0 113 -149,-0.1 2,-0.5 -139,-0.1 -1,-0.1 -0.535 66.9 139.3 -85.8 71.4 31.1 40.1 29.2 259 259 A V + 0 0 16 -2,-1.8 -149,-0.4 -5,-0.2 -146,-0.1 -0.977 7.6 147.2-119.2 117.1 31.3 37.3 31.7 260 260 A Y + 0 0 97 -2,-0.5 -1,-0.1 -151,-0.1 3,-0.0 0.390 36.4 99.7-135.5 0.3 34.4 35.0 31.1 261 261 A D >> - 0 0 70 1,-0.1 4,-2.1 -220,-0.0 3,-1.0 -0.849 62.9-147.4 -92.3 114.7 35.6 33.8 34.5 262 262 A P H 3> S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 -217,-0.5 0.751 96.1 63.0 -54.5 -26.3 34.3 30.2 34.9 263 263 A K H 3> S+ 0 0 121 2,-0.2 4,-1.3 1,-0.2 -218,-0.1 0.888 108.0 41.0 -68.8 -36.4 34.1 30.8 38.7 264 264 A E H <> S+ 0 0 85 -3,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.855 112.9 53.4 -81.0 -26.3 31.6 33.6 38.1 265 265 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.922 108.1 53.1 -66.8 -37.2 29.8 31.6 35.5 266 266 A Q H X S+ 0 0 24 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.853 101.3 58.5 -64.5 -36.6 29.5 28.8 38.0 267 267 A L H < S+ 0 0 115 -4,-1.3 4,-0.3 1,-0.2 -1,-0.2 0.944 110.3 43.7 -58.3 -45.6 27.9 31.1 40.6 268 268 A H H >X S+ 0 0 67 -4,-1.5 3,-1.4 1,-0.2 4,-0.5 0.885 110.4 54.7 -65.2 -42.9 25.1 31.8 38.1 269 269 A A H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.881 105.1 54.8 -57.7 -39.7 24.8 28.1 37.2 270 270 A N T 3< S+ 0 0 74 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.581 103.3 56.7 -73.5 -9.6 24.4 27.3 40.9 271 271 A L T <4 S+ 0 0 127 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.502 79.4 113.6 -97.1 -6.5 21.4 29.8 41.1 272 272 A V S << S- 0 0 16 -3,-1.1 2,-0.1 -4,-0.5 -25,-0.1 -0.450 70.3-118.3 -68.5 134.3 19.4 28.1 38.3 273 273 A H >> - 0 0 132 -2,-0.2 4,-1.5 1,-0.1 3,-0.8 -0.454 12.7-122.5 -77.0 145.7 16.2 26.5 39.6 274 274 A C H 3> S+ 0 0 61 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.819 110.7 56.5 -54.3 -37.3 15.5 22.8 39.4 275 275 A D H 3> S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.856 103.3 54.8 -67.8 -31.9 12.3 23.3 37.4 276 276 A T H <> S+ 0 0 44 -3,-0.8 4,-2.0 2,-0.2 5,-0.3 0.919 110.1 47.4 -62.6 -42.2 14.2 25.3 34.7 277 277 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.929 112.7 47.7 -64.3 -46.0 16.6 22.3 34.4 278 278 A K H < S+ 0 0 94 -4,-2.4 5,-0.3 1,-0.2 -1,-0.2 0.814 112.6 50.2 -66.8 -29.9 13.8 19.8 34.1 279 279 A E H < S+ 0 0 103 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.905 122.0 28.8 -75.5 -40.6 11.9 21.8 31.6 280 280 A N H < S+ 0 0 25 -4,-2.0 -85,-0.2 -5,-0.2 2,-0.2 0.782 117.8 51.6 -91.7 -34.0 14.9 22.4 29.2 281 281 A Y S < S- 0 0 2 -4,-2.5 2,-0.8 -5,-0.3 -51,-0.2 -0.545 87.0-105.5-103.2 170.5 17.1 19.3 29.7 282 282 A M E +j 230 0A 0 -53,-2.6 -51,-2.2 -2,-0.2 2,-0.6 -0.847 37.2 175.6-103.0 102.7 16.2 15.6 29.6 283 283 A C E +j 231 0A 2 -2,-0.8 2,-0.3 -5,-0.3 -51,-0.2 -0.931 14.7 165.4-106.9 122.7 16.1 14.1 33.1 284 284 A A E -j 232 0A 0 -53,-2.5 -51,-2.1 -2,-0.6 3,-0.1 -0.962 39.9-157.4-141.0 153.5 15.1 10.5 33.0 285 285 A T S S+ 0 0 30 -2,-0.3 2,-0.3 -53,-0.2 -1,-0.1 0.595 82.1 2.6-101.4 -15.8 15.0 7.4 35.3 286 286 A D S > S- 0 0 71 -53,-0.1 4,-1.6 1,-0.1 3,-0.2 -0.927 84.4 -84.4-158.0 177.3 14.8 4.8 32.5 287 287 A A H > S+ 0 0 19 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.864 119.0 56.9 -60.9 -39.3 14.7 4.2 28.7 288 288 A E H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 107.4 47.7 -62.1 -40.4 11.0 4.8 28.4 289 289 A E H > S+ 0 0 72 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.874 110.7 52.4 -69.3 -34.8 11.2 8.3 29.9 290 290 A M H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.925 107.4 52.2 -64.7 -43.0 14.1 9.1 27.6 291 291 A I H X S+ 0 0 29 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.926 111.7 46.0 -58.8 -45.7 12.1 8.0 24.6 292 292 A K H X S+ 0 0 133 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.838 110.1 54.2 -66.9 -33.2 9.2 10.3 25.6 293 293 A E H X S+ 0 0 31 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.929 111.5 45.0 -65.5 -44.4 11.6 13.2 26.3 294 294 A I H >X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-0.5 0.897 109.6 56.4 -67.4 -38.4 13.1 12.9 22.8 295 295 A E H 3X S+ 0 0 69 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.863 100.4 56.9 -64.5 -33.1 9.6 12.6 21.3 296 296 A R H 3X S+ 0 0 62 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.823 111.4 43.7 -70.0 -25.5 8.4 15.9 22.8 297 297 A F H S+ 0 0 0 -4,-1.0 5,-2.1 -3,-0.5 4,-0.5 0.817 110.4 55.1 -84.7 -31.1 11.3 17.6 21.0 298 298 A K H ><5S+ 0 0 52 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.929 106.5 51.7 -62.8 -45.4 10.7 15.7 17.8 299 299 A E H 3<5S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.811 104.7 57.0 -60.6 -31.0 7.1 17.0 17.9 300 300 A A H 3<5S- 0 0 9 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.604 131.3 -90.8 -76.2 -11.2 8.4 20.5 18.3 301 301 A G T <<5S+ 0 0 22 -3,-1.5 2,-0.3 -4,-0.5 -3,-0.2 0.386 78.6 137.4 120.7 -2.5 10.5 20.1 15.1 302 302 A I < + 0 0 3 -5,-2.1 -1,-0.3 1,-0.1 -77,-0.2 -0.600 13.4 163.4 -79.5 132.3 14.0 18.8 16.0 303 303 A N + 0 0 18 -79,-2.2 -299,-2.6 -2,-0.3 2,-0.4 0.352 64.4 52.9-129.1 1.8 15.3 16.1 13.7 304 304 A H E S-ai 4 225A 2 -80,-1.6 -78,-2.0 -301,-0.2 2,-0.3 -0.841 73.8-162.2-136.6 99.7 19.0 15.9 14.4 305 305 A F E -ai 5 226A 0 -301,-2.4 -299,-2.6 -2,-0.4 2,-0.6 -0.657 14.0-166.1 -85.0 138.8 19.7 15.5 18.1 306 306 A C E -ai 6 227A 0 -80,-2.7 -78,-2.2 -2,-0.3 2,-0.7 -0.927 21.1-163.4-120.4 98.3 23.1 16.2 19.7 307 307 A L E -ai 7 228A 0 -301,-2.5 -299,-2.8 -2,-0.6 2,-0.7 -0.783 8.5-151.9 -98.8 116.8 22.7 14.6 23.1 308 308 A G E -ai 8 229A 1 -80,-2.1 -78,-2.8 -2,-0.7 2,-0.8 -0.748 13.1-140.1 -90.3 113.2 25.1 15.6 25.8 309 309 A N E + i 0 230A 3 -301,-0.9 -299,-0.2 -2,-0.7 -78,-0.2 -0.590 38.2 155.1 -77.6 105.9 25.6 12.8 28.3 310 310 A S + 0 0 2 -80,-2.7 -1,-0.1 -2,-0.8 -79,-0.1 -0.112 28.0 143.9-119.0 31.7 25.8 14.4 31.8 311 311 A S - 0 0 6 3,-0.1 3,-0.2 1,-0.1 -78,-0.1 -0.358 61.0-121.7 -75.8 151.7 24.6 11.2 33.6 312 312 A P S S+ 0 0 54 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.899 112.6 41.6 -57.9 -41.1 26.0 10.1 37.0 313 313 A D S > S- 0 0 85 -81,-0.4 4,-2.2 1,-0.2 3,-0.3 -0.886 79.7-167.3-109.5 97.5 27.1 6.8 35.5 314 314 A V H > S+ 0 0 32 -2,-0.8 4,-1.0 1,-0.2 -1,-0.2 0.888 82.8 49.9 -55.3 -46.2 28.6 7.9 32.1 315 315 A N H > S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.871 111.6 47.9 -63.9 -38.1 28.8 4.4 30.6 316 316 A F H > S+ 0 0 61 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.876 105.5 61.3 -65.5 -38.8 25.2 3.5 31.5 317 317 A G H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.765 113.5 36.0 -59.7 -27.5 24.3 6.9 30.0 318 318 A I H >< S+ 0 0 0 -4,-1.0 3,-1.7 -3,-0.3 -2,-0.2 0.885 116.0 52.4 -87.9 -49.9 25.6 5.7 26.7 319 319 A D H >< S+ 0 0 56 -4,-2.8 3,-2.2 1,-0.3 4,-0.3 0.804 96.1 66.6 -56.0 -40.0 24.6 2.0 26.9 320 320 A I T >X S+ 0 0 29 -4,-2.5 3,-1.6 1,-0.3 4,-1.0 0.712 84.6 76.1 -60.3 -17.8 21.0 2.6 27.6 321 321 A F H <> S+ 0 0 0 -3,-1.7 4,-2.4 1,-0.3 -1,-0.3 0.646 73.5 77.4 -71.7 -9.5 20.7 4.1 24.2 322 322 A K H <4 S+ 0 0 135 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.835 105.1 37.9 -61.8 -29.3 20.7 0.6 22.7 323 323 A E H <4 S+ 0 0 133 -3,-1.6 4,-0.4 -4,-0.3 -2,-0.2 0.770 120.0 47.0 -89.5 -29.1 17.1 0.7 24.0 324 324 A V H >X S+ 0 0 0 -4,-1.0 4,-1.3 2,-0.1 3,-0.8 0.932 100.9 60.2 -80.8 -48.1 16.3 4.3 23.1 325 325 A I H >X>S+ 0 0 7 -4,-2.4 5,-1.4 1,-0.2 4,-1.1 0.889 101.4 50.0 -52.6 -52.6 17.6 4.7 19.5 326 326 A P H 345S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.819 110.8 53.2 -59.4 -27.9 15.4 2.0 17.7 327 327 A A H <45S+ 0 0 50 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.1 0.763 111.3 42.3 -79.3 -27.0 12.3 3.5 19.3 328 328 A V H <<5S- 0 0 0 -4,-1.3 -1,-0.2 -3,-0.7 -3,-0.1 0.494 125.0-101.4 -97.7 -5.0 12.9 7.1 18.2 329 329 A R T <5 0 0 107 -4,-1.1 -326,-0.1 -5,-0.2 -4,-0.1 0.563 360.0 360.0 105.1 17.0 14.0 5.9 14.7 330 330 A D < 0 0 66 -5,-1.4 -1,-0.2 -328,-0.1 -2,-0.2 -0.969 360.0 360.0-163.7 360.0 17.7 5.6 13.7