==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 14-JUN-10 3NHP . COMPND 2 MOLECULE: RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.STURDY . 460 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.7 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 . 6 1.3 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 . 44 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 4.3 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 2 0 0 0 2 3 1 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 0 2 3 2 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 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 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 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 A 0 0 82 0, 0.0 33,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 132.6 14.9 -9.7 17.9 2 2 A G + 0 0 75 31,-0.1 2,-0.3 1,-0.0 32,-0.1 -0.029 360.0 115.2 -86.6 91.8 17.8 -9.7 17.4 3 3 A K - 0 0 82 30,-0.1 32,-2.7 2,-0.0 2,-0.4 -0.914 50.1-147.1-123.3 147.5 16.7 -9.7 13.7 4 4 A K E -a 35 0A 84 -2,-0.3 91,-3.0 89,-0.2 92,-1.5 -0.929 14.0-167.7-112.5 140.2 17.2 -7.2 10.9 5 5 A V E -ab 36 96A 3 30,-2.9 32,-2.0 -2,-0.4 2,-0.5 -0.977 8.8-163.2-126.9 135.6 14.7 -6.7 8.1 6 6 A L E -ab 37 97A 1 90,-2.6 92,-2.7 -2,-0.4 2,-0.6 -0.983 7.8-161.2-110.2 128.9 15.1 -4.8 4.8 7 7 A I E -ab 38 98A 0 30,-2.7 32,-2.8 -2,-0.5 2,-0.7 -0.955 2.4-160.5-106.7 119.6 11.8 -3.9 3.0 8 8 A V E -ab 39 99A 0 90,-3.1 92,-3.0 -2,-0.6 2,-0.5 -0.899 19.3-168.1-102.8 113.5 12.4 -3.1 -0.7 9 9 A Y E -ab 40 100A 2 30,-2.9 32,-2.3 -2,-0.7 33,-0.4 -0.910 19.3-175.5-117.5 131.1 9.3 -1.2 -1.6 10 10 A A + 0 0 0 90,-2.5 2,-0.3 -2,-0.5 102,-0.1 -0.633 38.3 111.8-128.9 74.3 8.1 -0.3 -5.1 11 11 A H - 0 0 24 -2,-0.3 31,-0.2 90,-0.1 32,-0.2 -0.991 51.1-147.3-148.0 140.1 5.0 1.9 -5.2 12 12 A Q S S+ 0 0 33 -2,-0.3 271,-0.1 1,-0.1 -1,-0.1 0.662 81.8 64.0 -75.0 -23.6 4.6 5.5 -6.3 13 13 A E > - 0 0 22 1,-0.1 3,-1.8 283,-0.1 6,-0.4 -0.927 59.8-159.5-116.5 112.9 1.8 6.4 -3.9 14 14 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 281,-0.1 0.852 96.5 57.9 -53.6 -32.3 2.3 6.5 -0.0 15 15 A K T 3 S+ 0 0 112 279,-0.2 280,-0.0 4,-0.1 279,-0.0 0.480 87.3 110.8 -81.0 6.9 -1.6 6.2 0.3 16 16 A S S <> S- 0 0 12 -3,-1.8 4,-2.6 1,-0.1 5,-0.2 -0.217 84.7-110.1 -77.6 163.5 -1.8 3.0 -1.7 17 17 A F H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.906 124.6 53.4 -56.7 -41.4 -2.7 -0.5 -0.6 18 18 A N H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 107.4 49.8 -57.0 -42.7 0.9 -1.3 -1.2 19 19 A G H > S+ 0 0 0 -6,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.888 110.3 51.6 -62.3 -43.4 2.0 1.7 1.0 20 20 A S H X S+ 0 0 49 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.892 109.2 49.3 -58.7 -47.0 -0.4 0.4 3.7 21 21 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.862 112.8 47.3 -59.4 -43.6 1.1 -3.1 3.6 22 22 A K H X S+ 0 0 31 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.931 111.9 50.6 -61.8 -42.8 4.6 -1.6 3.8 23 23 A N H X S+ 0 0 67 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.863 109.5 49.3 -68.6 -41.1 3.7 0.6 6.8 24 24 A V H X S+ 0 0 25 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.889 109.8 52.7 -65.3 -34.8 2.1 -2.2 8.7 25 25 A A H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.923 112.4 44.4 -61.8 -43.7 5.2 -4.3 8.2 26 26 A V H X S+ 0 0 40 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.958 116.1 48.3 -62.7 -47.2 7.4 -1.5 9.5 27 27 A D H X S+ 0 0 110 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.945 117.7 39.1 -60.7 -52.9 4.9 -0.9 12.5 28 28 A E H X S+ 0 0 13 -4,-3.2 4,-1.5 2,-0.2 -1,-0.2 0.904 118.3 45.7 -68.2 -43.7 4.7 -4.6 13.5 29 29 A L H <>S+ 0 0 0 -4,-2.2 5,-2.1 -5,-0.3 4,-0.3 0.877 114.2 51.2 -66.4 -35.4 8.4 -5.6 12.9 30 30 A S H ><5S+ 0 0 73 -4,-2.8 3,-1.8 -5,-0.3 -2,-0.2 0.936 107.6 53.4 -67.7 -39.6 9.3 -2.3 14.8 31 31 A R H 3<5S+ 0 0 164 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.816 104.2 54.8 -60.9 -36.2 7.0 -3.4 17.7 32 32 A Q T 3<5S- 0 0 43 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.512 121.8-108.8 -75.9 -8.9 8.7 -6.8 18.0 33 33 A G T < 5 + 0 0 50 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.533 67.2 150.3 86.0 11.2 12.0 -4.9 18.4 34 34 A C < - 0 0 10 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.3 -0.380 53.9-111.6 -67.7 154.7 13.4 -5.9 15.0 35 35 A T E -a 4 0A 71 -32,-2.7 -30,-2.9 -2,-0.1 2,-0.4 -0.748 43.8-167.3 -83.3 127.2 15.9 -3.6 13.2 36 36 A V E +a 5 0A 40 -2,-0.4 2,-0.3 -32,-0.2 -30,-0.2 -0.982 18.3 174.1-129.9 137.2 14.0 -2.3 10.2 37 37 A T E -a 6 0A 61 -32,-2.0 -30,-2.7 -2,-0.4 2,-0.4 -0.994 13.5-156.0-139.7 139.6 15.1 -0.4 7.0 38 38 A V E -a 7 0A 51 -2,-0.3 2,-0.8 -32,-0.2 -30,-0.2 -0.975 7.8-158.9-120.8 130.3 13.0 0.5 3.9 39 39 A S E -a 8 0A 0 -32,-2.8 -30,-2.9 -2,-0.4 2,-1.2 -0.939 12.8-166.0-103.3 103.3 14.4 1.1 0.4 40 40 A D E > -a 9 0A 43 -2,-0.8 4,-1.9 1,-0.2 5,-0.2 -0.771 6.2-168.5 -92.4 90.1 11.5 3.2 -1.0 41 41 A L T 4>S+ 0 0 0 -32,-2.3 5,-2.5 -2,-1.2 4,-0.2 0.893 78.5 48.2 -61.5 -38.7 12.7 2.9 -4.6 42 42 A Y T >45S+ 0 0 31 -33,-0.4 3,-1.3 1,-0.2 -1,-0.2 0.895 113.6 48.4 -69.5 -38.3 10.4 5.5 -6.3 43 43 A A T 345S+ 0 0 81 1,-0.3 -1,-0.2 -32,-0.2 -2,-0.2 0.833 111.0 50.6 -68.7 -26.8 11.3 8.1 -3.6 44 44 A M T 3<5S- 0 0 80 -4,-1.9 -1,-0.3 -3,-0.1 -2,-0.2 0.456 106.2-130.5 -80.0 -6.3 15.0 7.3 -4.1 45 45 A N T < 5 - 0 0 103 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.945 36.4-153.5 50.4 43.8 14.5 7.8 -7.9 46 46 A F < - 0 0 7 -5,-2.5 -1,-0.2 -6,-0.1 68,-0.1 -0.298 10.6-120.2 -59.4 130.8 16.4 4.5 -7.9 47 47 A E - 0 0 49 -3,-0.2 -1,-0.1 1,-0.1 71,-0.1 -0.612 30.4-178.5 -69.4 121.4 18.3 3.9 -11.2 48 48 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 293,-0.2 0.714 48.6 99.2 -95.5 -14.7 17.0 0.7 -12.9 49 49 A R - 0 0 13 292,-0.1 2,-0.9 293,-0.1 -2,-0.0 -0.521 68.2-137.6 -78.9 133.9 19.3 0.7 -16.0 50 50 A A + 0 0 1 -2,-0.3 2,-0.3 3,-0.0 17,-0.1 -0.742 49.2 147.0 -81.2 101.4 22.3 -1.6 -16.0 51 51 A T > - 0 0 28 -2,-0.9 3,-2.2 16,-0.1 4,-0.1 -0.857 65.6 -94.8-138.5 172.4 25.0 0.7 -17.5 52 52 A D G > S+ 0 0 88 1,-0.3 3,-1.3 -2,-0.3 -2,-0.0 0.626 112.9 76.7 -68.9 -11.1 28.7 1.5 -17.4 53 53 A K G 3 S+ 0 0 167 1,-0.2 -1,-0.3 27,-0.0 -3,-0.0 0.598 77.6 77.0 -62.9 -10.1 27.9 4.2 -14.9 54 54 A D G < S+ 0 0 4 -3,-2.2 27,-2.5 26,-0.1 2,-0.4 0.567 90.1 62.2 -81.5 -7.7 27.6 1.4 -12.4 55 55 A I B < S-E 80 0B 18 -3,-1.3 2,-0.2 25,-0.3 25,-0.2 -0.965 73.8-157.9-119.2 130.6 31.4 1.1 -12.3 56 56 A T + 0 0 69 23,-3.0 2,-0.4 -2,-0.4 -2,-0.0 -0.685 62.4 21.7-104.2 161.6 33.5 4.0 -11.0 57 57 A G S S- 0 0 75 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.713 115.4 -31.9 85.3-132.1 37.1 4.6 -11.8 58 58 A T - 0 0 138 -2,-0.4 -2,-0.1 1,-0.0 2,-0.1 -0.861 68.4-101.2-130.2 161.7 38.2 2.8 -15.0 59 59 A L - 0 0 52 -2,-0.3 -1,-0.0 1,-0.1 6,-0.0 -0.264 8.9-132.6 -94.0 160.2 37.1 -0.4 -16.6 60 60 A S S S+ 0 0 73 1,-0.3 -1,-0.1 -2,-0.1 5,-0.1 0.965 108.8 11.6 -68.3 -50.5 38.4 -4.0 -16.8 61 61 A N + 0 0 79 5,-0.1 -1,-0.3 3,-0.1 3,-0.2 -0.775 67.9 175.6-127.5 88.0 37.7 -4.1 -20.6 62 62 A P S S+ 0 0 96 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.437 77.1 60.9 -72.9 1.6 36.9 -0.5 -22.0 63 63 A E S S+ 0 0 142 1,-0.4 2,-0.5 0, 0.0 -2,-0.0 0.878 115.5 24.1 -89.7 -50.0 36.8 -1.8 -25.7 64 64 A V S S- 0 0 58 -3,-0.2 2,-0.6 181,-0.1 -1,-0.4 -0.989 83.4-142.3-117.1 112.9 33.9 -4.3 -25.3 65 65 A F + 0 0 18 -2,-0.5 2,-0.5 -3,-0.2 179,-0.1 -0.700 20.8 178.6 -75.8 119.9 31.5 -3.5 -22.4 66 66 A N > - 0 0 54 -2,-0.6 4,-2.6 -5,-0.2 5,-0.3 -0.957 14.8-159.6-121.0 106.5 30.3 -6.7 -20.6 67 67 A Y H > S+ 0 0 15 -2,-0.5 4,-2.6 1,-0.2 5,-0.3 0.916 88.8 49.2 -55.3 -44.3 28.0 -5.6 -17.7 68 68 A G H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 114.2 43.6 -62.8 -47.4 28.3 -8.9 -15.8 69 69 A V H > S+ 0 0 65 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.931 115.9 48.3 -65.3 -42.7 32.1 -9.1 -16.0 70 70 A E H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.868 113.1 45.6 -68.9 -37.0 32.6 -5.5 -15.1 71 71 A T H X S+ 0 0 5 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.831 111.9 52.8 -80.8 -30.0 30.3 -5.5 -12.2 72 72 A H H X S+ 0 0 29 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.982 113.8 43.3 -61.1 -50.5 31.9 -8.7 -10.9 73 73 A E H X S+ 0 0 63 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.909 114.4 51.2 -59.7 -42.7 35.4 -7.1 -11.2 74 74 A A H <>S+ 0 0 5 -4,-2.7 5,-2.4 1,-0.2 6,-0.4 0.914 105.7 54.2 -66.6 -40.2 34.0 -3.8 -9.6 75 75 A Y H ><5S+ 0 0 57 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.908 112.6 44.2 -53.1 -47.6 32.4 -5.6 -6.6 76 76 A K H 3<5S+ 0 0 92 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.760 117.1 44.7 -70.3 -31.1 35.8 -7.3 -5.9 77 77 A Q T 3<5S- 0 0 98 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.157 110.6-121.3 -98.7 14.1 37.8 -4.0 -6.4 78 78 A R T < 5S+ 0 0 198 -3,-1.0 -3,-0.2 -4,-0.2 -4,-0.1 0.763 77.0 122.7 44.1 39.3 35.2 -2.0 -4.3 79 79 A S < + 0 0 41 -5,-2.4 -23,-3.0 -6,-0.2 2,-0.2 -0.022 28.6 125.7-117.4 34.2 34.5 0.3 -7.3 80 80 A L B S-E 55 0B 10 -6,-0.4 -25,-0.3 -25,-0.2 5,-0.1 -0.586 73.6 -86.9 -82.5 148.8 30.7 -0.2 -7.8 81 81 A A >> - 0 0 13 -27,-2.5 4,-2.0 -2,-0.2 3,-0.5 -0.161 39.1-115.1 -52.0 149.3 28.5 3.0 -7.8 82 82 A S H 3> S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.786 111.5 61.4 -69.4 -27.0 27.4 4.1 -4.3 83 83 A D H 3> S+ 0 0 48 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.913 109.6 43.4 -64.3 -37.8 23.7 3.5 -4.9 84 84 A I H <> S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.934 114.1 49.4 -66.3 -49.7 24.5 -0.2 -5.5 85 85 A T H X S+ 0 0 52 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.877 107.7 55.2 -62.7 -36.9 26.9 -0.4 -2.6 86 86 A D H X S+ 0 0 92 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.909 110.5 45.2 -59.2 -43.6 24.4 1.2 -0.3 87 87 A E H X S+ 0 0 1 -4,-1.4 4,-2.2 -5,-0.2 -2,-0.2 0.936 110.3 53.8 -71.4 -35.2 21.8 -1.4 -1.2 88 88 A Q H X S+ 0 0 4 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.875 105.1 54.3 -66.6 -36.2 24.2 -4.3 -0.8 89 89 A K H X S+ 0 0 113 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.934 109.4 49.0 -63.9 -37.9 25.1 -3.1 2.7 90 90 A K H X S+ 0 0 50 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.907 114.8 44.0 -63.3 -42.4 21.4 -3.2 3.6 91 91 A V H < S+ 0 0 0 -4,-2.2 3,-0.2 2,-0.2 -2,-0.2 0.909 109.9 54.8 -68.9 -45.4 21.0 -6.7 2.2 92 92 A R H < S+ 0 0 117 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.916 114.3 42.4 -54.6 -43.3 24.3 -8.0 3.8 93 93 A E H < S+ 0 0 94 -4,-2.2 -1,-0.2 -5,-0.2 -89,-0.2 0.740 96.8 97.9 -75.4 -24.2 23.0 -6.9 7.2 94 94 A A < - 0 0 2 -4,-1.2 -89,-0.2 -3,-0.2 3,-0.1 -0.415 49.3-170.2 -74.4 145.5 19.5 -8.1 6.7 95 95 A D S S+ 0 0 61 -91,-3.0 46,-2.4 1,-0.3 2,-0.3 0.623 85.6 25.9 -97.8 -27.4 18.2 -11.5 8.0 96 96 A L E -bc 5 141A 0 -92,-1.5 -90,-2.6 44,-0.2 2,-0.5 -0.991 66.2-161.8-138.7 135.2 14.9 -11.1 6.0 97 97 A V E -bc 6 142A 0 44,-1.9 46,-2.4 -2,-0.3 2,-0.5 -0.975 10.0-165.1-119.4 119.6 14.3 -9.1 2.8 98 98 A I E -bc 7 143A 1 -92,-2.7 -90,-3.1 -2,-0.5 2,-0.6 -0.909 5.8-154.4-104.0 127.9 10.7 -8.4 2.2 99 99 A F E -bc 8 144A 0 44,-2.9 46,-3.6 -2,-0.5 2,-0.6 -0.928 10.5-169.8-103.9 119.9 9.8 -7.2 -1.4 100 100 A Q E +bc 9 145A 1 -92,-3.0 -90,-2.5 -2,-0.6 46,-0.2 -0.952 27.9 127.0-115.2 111.8 6.6 -5.2 -1.5 101 101 A F E - c 0 146A 0 44,-2.1 46,-1.8 -2,-0.6 2,-0.3 -0.996 56.8-106.4-156.3 156.6 5.2 -4.4 -4.9 102 102 A P E - c 0 147A 14 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.660 49.1-105.5 -82.4 141.1 2.3 -4.5 -7.3 103 103 A L - 0 0 22 44,-3.1 2,-0.5 -2,-0.3 5,-0.2 -0.565 37.3-170.7 -67.1 124.2 2.5 -7.2 -10.0 104 104 A Y B > S-F 107 0C 36 3,-2.6 3,-1.0 -2,-0.4 244,-0.1 -0.981 72.7 -18.9-114.4 118.7 3.4 -5.5 -13.4 105 105 A W T 3 S- 0 0 37 -2,-0.5 -1,-0.2 1,-0.2 301,-0.1 0.929 126.1 -53.2 51.5 50.4 3.2 -7.9 -16.3 106 106 A F T 3 S+ 0 0 11 1,-0.2 -1,-0.2 299,-0.2 2,-0.2 0.765 130.8 61.5 61.6 19.8 3.3 -11.1 -14.2 107 107 A S B < S-F 104 0C 7 -3,-1.0 -3,-2.6 294,-0.1 -1,-0.2 -0.815 96.4 -56.3-151.0-166.3 6.5 -9.7 -12.6 108 108 A V - 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0 0 6 -2,-1.8 4,-2.6 -3,-0.2 3,-1.5 -0.354 49.4 -82.6 -86.0 163.4 25.7 -8.8 -8.7 122 122 A Q B 345S+g 126 0D 43 1,-0.2 5,-0.2 -54,-0.2 -47,-0.2 -0.457 118.2 27.8 -63.7 134.2 28.3 -11.6 -9.1 123 123 A G T 345S+ 0 0 16 3,-3.2 -1,-0.2 -2,-0.1 4,-0.1 0.013 123.9 54.4 100.2 -23.7 30.6 -11.9 -6.1 124 124 A F T <45S+ 0 0 10 -3,-1.5 -2,-0.2 2,-0.3 3,-0.1 0.829 126.0 8.6 -99.5 -58.6 27.8 -10.5 -3.9 125 125 A A T <5S+ 0 0 0 -4,-2.6 11,-0.9 1,-0.3 12,-0.6 0.682 132.8 2.0-101.3 -25.6 24.8 -12.6 -4.4 126 126 A F B < +g 122 0D 39 -5,-0.9 -3,-3.2 9,-0.2 -2,-0.3 -0.992 56.7 161.7-156.7 163.3 26.2 -15.4 -6.4 127 127 A D - 0 0 41 3,-1.8 9,-0.0 -2,-0.3 -5,-0.0 -0.886 51.3 -53.3-157.8-174.2 29.3 -16.8 -8.0 128 128 A I S S+ 0 0 130 -2,-0.3 2,-0.1 1,-0.2 -2,-0.0 -0.971 129.5 19.8-113.1 108.5 30.7 -20.0 -9.4 129 129 A P S S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.663 110.4 70.8 -95.5-178.3 30.3 -21.8 -7.3 130 130 A G + 0 0 5 1,-0.2 -3,-1.8 -2,-0.1 6,-0.7 0.638 60.0 119.1 120.2 75.0 27.6 -20.6 -4.9 131 131 A F > + 0 0 70 4,-0.3 3,-1.8 -5,-0.2 2,-0.3 -0.969 63.1 8.0-162.0 163.3 24.1 -20.6 -6.3 132 132 A Y G > S+ 0 0 20 46,-1.1 3,-1.6 -2,-0.3 48,-0.2 -0.527 140.6 1.9 55.0-121.7 20.8 -22.2 -5.6 133 133 A D G 3 S+ 0 0 133 -2,-0.3 -1,-0.3 1,-0.3 45,-0.1 0.795 145.9 42.9 -53.9 -34.6 21.3 -23.9 -2.2 134 134 A S G < S+ 0 0 56 -3,-1.8 -1,-0.3 44,-0.1 -2,-0.2 0.178 82.7 140.5-100.1 15.1 24.9 -22.6 -2.0 135 135 A G X - 0 0 0 -3,-1.6 3,-1.5 42,-0.4 -4,-0.3 -0.201 66.7-107.2 -55.0 151.6 24.1 -19.0 -3.3 136 136 A L T 3 S+ 0 0 71 -11,-0.9 44,-0.2 -6,-0.7 -10,-0.2 0.630 116.1 56.8 -61.9 -17.4 26.1 -16.3 -1.4 137 137 A L T > S+ 0 0 7 42,-2.9 3,-2.0 -12,-0.6 -1,-0.3 0.037 75.8 147.1 -99.7 23.6 23.1 -15.0 0.6 138 138 A Q T < + 0 0 115 -3,-1.5 43,-0.2 1,-0.2 3,-0.1 -0.327 59.5 39.2 -64.0 147.4 22.4 -18.4 2.1 139 139 A G T 3 S+ 0 0 56 41,-0.6 -1,-0.2 1,-0.4 2,-0.1 -0.125 95.1 105.6 102.2 -32.1 21.0 -18.1 5.6 140 140 A K < - 0 0 30 -3,-2.0 42,-2.4 40,-0.1 -1,-0.4 -0.480 63.8-136.0 -80.7 154.2 18.9 -15.1 4.7 141 141 A L E -cd 96 182A 34 -46,-2.4 -44,-1.9 40,-0.2 2,-0.3 -0.766 17.3-168.0-104.0 152.6 15.1 -15.2 4.2 142 142 A A E -cd 97 183A 0 40,-2.3 42,-2.7 -2,-0.3 2,-0.4 -0.993 3.2-173.5-140.0 150.6 13.2 -13.5 1.4 143 143 A L E -cd 98 184A 0 -46,-2.4 -44,-2.9 -2,-0.3 2,-0.6 -0.981 16.6-145.0-150.7 124.5 9.6 -13.0 0.9 144 144 A L E -c 99 0A 0 40,-0.5 43,-3.1 -2,-0.4 2,-0.7 -0.847 12.1-173.2 -90.0 117.6 7.5 -11.6 -1.9 145 145 A S E +cd 100 187A 0 -46,-3.6 -44,-2.1 -2,-0.6 2,-0.3 -0.911 21.5 173.9-110.5 103.4 4.5 -9.5 -0.9 146 146 A V E -cd 101 188A 1 41,-2.5 43,-2.5 -2,-0.7 2,-0.4 -0.810 23.9-155.6-114.7 143.0 2.7 -8.9 -4.1 147 147 A T E -cd 102 189A 7 -46,-1.8 -44,-3.1 -2,-0.3 2,-0.3 -0.929 18.1-159.2-112.6 149.6 -0.6 -7.3 -4.9 148 148 A T - 0 0 5 41,-1.6 43,-0.4 -2,-0.4 45,-0.4 -0.880 27.5-145.5-123.8 161.7 -2.4 -8.1 -8.1 149 149 A G S S+ 0 0 53 -2,-0.3 -1,-0.1 -46,-0.2 45,-0.1 0.760 86.1 73.3 -88.2 -31.8 -5.1 -6.6 -10.3 150 150 A G S S- 0 0 12 1,-0.1 41,-0.8 2,-0.0 -2,-0.1 -0.439 87.2-109.2 -81.8 165.0 -6.5 -10.1 -11.2 151 151 A T > - 0 0 14 39,-0.2 4,-1.2 -2,-0.1 3,-0.4 -0.359 26.3-109.0 -91.3 164.5 -8.5 -12.3 -8.8 152 152 A A T 4 S+ 0 0 41 1,-0.2 12,-0.2 2,-0.2 3,-0.1 0.845 119.6 59.6 -59.5 -30.9 -7.4 -15.5 -7.2 153 153 A E T >4 S+ 0 0 135 1,-0.2 3,-0.7 2,-0.1 -1,-0.2 0.895 101.8 51.0 -71.2 -31.9 -9.7 -17.4 -9.5 154 154 A M T 34 S+ 0 0 70 -3,-0.4 7,-1.8 1,-0.3 8,-0.7 0.808 104.5 63.1 -68.0 -29.0 -7.9 -16.0 -12.7 155 155 A Y T 3< S+ 0 0 20 -4,-1.2 9,-1.3 6,-0.2 2,-0.3 -0.311 78.9 108.2 -96.8 48.9 -4.7 -17.3 -11.1 156 156 A T S X S- 0 0 63 -3,-0.7 3,-1.7 -2,-0.4 6,-0.6 -0.809 85.1-102.4-115.0 161.4 -5.6 -21.0 -11.0 157 157 A K T 3 S+ 0 0 118 5,-0.3 298,-0.1 1,-0.3 6,-0.1 0.783 123.7 33.6 -57.6 -33.7 -3.9 -23.5 -13.4 158 158 A T T 3 S+ 0 0 134 4,-0.1 -1,-0.3 297,-0.1 2,-0.1 0.260 102.6 100.8-107.3 10.5 -6.9 -23.7 -15.8 159 159 A G S X S- 0 0 25 -3,-1.7 3,-1.0 -5,-0.1 -5,-0.2 -0.366 93.1 -92.2 -87.1 173.1 -7.9 -20.0 -15.3 160 160 A V T 3 S+ 0 0 76 1,-0.3 -5,-0.1 -2,-0.1 -6,-0.1 0.860 124.7 36.6 -60.1 -38.6 -7.0 -17.2 -17.7 161 161 A N T 3 S- 0 0 10 -7,-1.8 -1,-0.3 1,-0.2 -6,-0.2 0.548 106.3-128.0 -86.0 -8.7 -3.7 -16.3 -16.0 162 162 A G < - 0 0 1 -3,-1.0 -5,-0.3 -8,-0.7 -1,-0.2 -0.072 54.5 -33.1 75.5 173.5 -2.5 -19.8 -15.0 163 163 A D >> - 0 0 42 1,-0.1 3,-1.5 -6,-0.1 4,-0.7 -0.324 56.1-125.8 -59.0 140.0 -1.5 -20.6 -11.4 164 164 A S H >> S+ 0 0 6 -9,-1.3 4,-1.8 1,-0.3 3,-0.7 0.847 110.0 67.5 -52.0 -37.7 0.2 -17.7 -9.4 165 165 A R H 3> S+ 0 0 94 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.776 88.9 65.5 -54.9 -29.6 3.0 -20.0 -8.8 166 166 A Y H X4 S+ 0 0 17 -3,-1.5 3,-0.5 1,-0.2 -1,-0.2 0.937 106.0 39.7 -61.2 -46.9 3.8 -20.0 -12.5 167 167 A F H X>S+ 0 0 1 -4,-1.8 4,-3.2 1,-0.2 3,-0.7 0.813 83.1 81.4 -62.7 -25.0 6.6 -16.7 -9.1 169 169 A W H S+ 0 0 2 -4,-1.0 5,-3.0 -3,-0.5 4,-1.0 0.852 88.5 45.6 -52.6 -49.5 9.2 -18.9 -10.7 170 170 A P H 345S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 5,-0.2 0.861 123.9 37.9 -67.3 -23.1 11.5 -16.3 -12.2 171 171 A L H S+ 0 0 5 -3,-0.7 5,-2.6 -4,-0.6 4,-0.6 0.954 125.1 32.5 -89.2 -56.2 11.4 -14.3 -9.0 172 172 A Q H <>S+ 0 0 0 -4,-3.2 5,-3.2 3,-0.2 -3,-0.2 0.941 137.2 19.6 -66.8 -50.3 11.4 -17.0 -6.2 173 173 A H T 4XS+ 0 0 0 -5,-2.6 5,-1.8 2,-0.2 3,-0.5 0.967 123.7 41.3 -67.8 -50.7 15.9 -15.4 -4.8 177 177 A H G >4 S+ 0 0 8 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.769 73.4 64.2 -67.4 -28.0 -7.4 -5.2 -3.5 193 193 A E T 3 S+ 0 0 128 -45,-0.4 -44,-0.1 1,-0.3 -2,-0.1 0.798 102.6 46.4 -71.7 -30.4 -8.9 -2.5 -5.9 194 194 A I T 3 S+ 0 0 129 -3,-0.3 -1,-0.3 -45,-0.1 2,-0.2 0.379 101.2 94.9 -86.4 3.0 -12.1 -4.5 -6.5 195 195 A A S < S- 0 0 18 -3,-1.1 4,-0.1 1,-0.1 -4,-0.0 -0.507 79.4 -92.3-100.8 163.6 -12.5 -5.3 -2.7 196 196 A S > - 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