==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ELECTRON TRANSPORT 21-JUN-11 3SJL . COMPND 2 MOLECULE: METHYLAMINE UTILIZATION PROTEIN MAUG; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR L.M.R.JENSEN,C.M.WILMOT . 1689 8 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1062 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 381 22.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 113 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 199 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 1.6 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 4 2 2 3 1 2 2 2 5 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 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 . 14 12 11 13 6 14 4 0 2 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 . 6 4 12 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 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 5 A P > 0 0 122 0, 0.0 4,-2.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-117.9 4.3 -51.0 92.5 2 6 A A H > + 0 0 59 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.685 360.0 61.1 -61.9 -27.9 7.8 -51.8 91.0 3 7 A D H > S+ 0 0 144 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.972 113.5 35.7 -57.8 -57.6 7.4 -49.4 88.0 4 8 A D H > S+ 0 0 128 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.910 120.4 48.7 -63.7 -44.9 7.0 -46.4 90.2 5 9 A A H X S+ 0 0 41 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.862 109.3 52.7 -67.0 -37.4 9.6 -47.8 92.8 6 10 A L H X S+ 0 0 27 -4,-2.4 4,-2.2 1,-0.2 136,-0.2 0.955 111.9 44.8 -64.8 -48.3 12.1 -48.5 90.2 7 11 A A H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.880 110.5 55.6 -57.7 -37.6 12.0 -45.0 88.7 8 12 A A H X S+ 0 0 62 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.824 106.9 49.7 -67.4 -36.2 12.1 -43.5 92.2 9 13 A L H X S+ 0 0 9 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.896 110.1 50.8 -65.2 -43.4 15.3 -45.4 93.0 10 14 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 128,-0.3 -2,-0.2 0.869 105.7 56.9 -59.9 -37.4 16.7 -44.1 89.7 11 15 A A H X S+ 0 0 29 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.897 108.3 47.0 -61.9 -35.5 15.6 -40.5 90.8 12 16 A Q H >< S+ 0 0 85 -4,-1.6 3,-0.8 1,-0.2 4,-0.3 0.942 113.4 47.1 -69.1 -48.5 17.7 -40.9 93.9 13 17 A L H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 14,-0.4 0.847 103.5 64.3 -56.2 -43.3 20.8 -42.3 92.0 14 18 A F H 3< S+ 0 0 1 -4,-2.3 14,-1.8 1,-0.2 13,-0.4 0.793 109.8 36.9 -59.8 -26.8 20.5 -39.4 89.4 15 19 A V T << S+ 0 0 82 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.286 92.3 106.5-107.4 11.7 21.2 -36.8 92.0 16 20 A D X - 0 0 31 -3,-1.3 3,-1.7 -4,-0.3 11,-0.2 -0.775 50.0-164.0 -99.8 111.3 23.8 -38.6 94.1 17 21 A P G > S+ 0 0 53 0, 0.0 3,-2.3 0, 0.0 8,-0.5 0.662 81.0 84.5 -66.9 -11.9 27.5 -37.6 93.7 18 22 A A G 3 S+ 0 0 28 1,-0.3 5,-0.1 5,-0.2 8,-0.1 0.667 79.4 65.6 -60.0 -15.3 28.5 -40.9 95.4 19 23 A L G < S+ 0 0 2 -3,-1.7 2,-0.3 -6,-0.2 -1,-0.3 0.405 89.5 86.1 -82.0 -2.5 28.2 -42.4 92.0 20 24 A S S X S- 0 0 0 -3,-2.3 3,-2.4 5,-0.1 75,-0.2 -0.825 93.2-103.1-105.5 155.0 31.2 -40.3 90.7 21 25 A R T 3 S+ 0 0 120 73,-2.8 74,-0.1 -2,-0.3 -1,-0.1 0.760 117.5 14.1 -37.3 -60.5 34.9 -41.1 91.0 22 26 A N T 3 S- 0 0 116 74,-0.0 -1,-0.3 -3,-0.0 -4,-0.1 0.031 112.1-100.3-112.4 27.3 35.7 -38.8 93.9 23 27 A A S < S+ 0 0 58 -3,-2.4 -5,-0.2 -6,-0.3 -2,-0.1 0.920 87.8 122.1 59.4 49.3 32.1 -38.0 95.1 24 28 A T + 0 0 103 -7,-0.4 2,-0.3 1,-0.3 -6,-0.1 0.620 65.4 18.0-111.6 -29.0 32.2 -34.6 93.3 25 29 A Q - 0 0 47 -8,-0.5 -1,-0.3 69,-0.1 2,-0.2 -0.992 55.9-146.8-148.1 157.8 29.3 -34.6 90.9 26 30 A S >> - 0 0 12 -2,-0.3 3,-1.9 -3,-0.1 4,-0.8 -0.750 44.3 -96.7-114.3 178.4 26.0 -36.4 90.0 27 31 A C H >> S+ 0 0 17 -14,-0.4 4,-2.4 -13,-0.4 3,-0.7 0.907 126.9 61.4 -59.7 -35.7 24.3 -37.1 86.7 28 32 A A H 34 S+ 0 0 16 -14,-1.8 -1,-0.3 1,-0.2 -13,-0.1 0.653 88.7 70.7 -62.6 -20.4 22.3 -33.9 87.5 29 33 A T H <4 S+ 0 0 41 -3,-1.9 3,-0.3 1,-0.2 12,-0.3 0.947 116.4 20.0 -61.9 -46.3 25.6 -31.8 87.5 30 34 A C H << S+ 0 0 27 -4,-0.8 2,-0.6 -3,-0.7 -2,-0.2 0.720 131.3 45.9 -98.5 -25.0 25.9 -32.1 83.7 31 35 A H S < S- 0 0 19 -4,-2.4 -1,-0.2 -5,-0.2 8,-0.2 -0.679 83.5-173.0-118.6 78.2 22.3 -33.0 82.8 32 36 A D B > > -A 38 0A 45 6,-2.2 3,-2.5 -2,-0.6 5,-2.2 -0.539 25.6-145.6 -83.7 123.2 20.6 -30.3 85.0 33 37 A P G > 5S+ 0 0 47 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.749 100.9 63.4 -55.6 -23.5 16.8 -30.6 85.2 34 38 A A G 3 5S+ 0 0 68 1,-0.2 -2,-0.0 2,-0.1 -3,-0.0 0.636 109.0 39.4 -74.7 -14.4 16.7 -26.7 85.4 35 39 A R G X 5S- 0 0 58 -3,-2.5 3,-0.7 3,-0.3 -1,-0.2 -0.333 130.3 -83.2-129.6 48.6 18.3 -26.5 81.9 36 40 A A T < 5S- 0 0 0 -3,-0.8 15,-0.6 1,-0.2 14,-0.3 0.865 87.4 -59.0 51.5 42.1 16.5 -29.4 80.0 37 41 A F T 3 + 0 0 16 -13,-0.7 3,-1.5 -14,-0.3 4,-0.4 0.593 64.5 112.4 -88.1 -13.6 18.3 -36.4 78.5 51 71 A G T 3 S- 0 0 3 -15,-0.6 98,-0.2 1,-0.3 197,-0.1 -0.396 92.7 -0.9 -60.9 133.1 14.7 -35.0 77.6 52 72 A Y T > S+ 0 0 3 96,-1.3 3,-1.9 91,-0.2 4,-0.3 0.404 93.3 122.4 68.1 2.5 13.0 -37.4 75.1 53 73 A A G X + 0 0 9 -3,-1.5 3,-1.6 1,-0.3 -2,-0.1 0.828 64.7 67.6 -61.7 -28.2 16.0 -39.7 75.0 54 74 A A G 3 S+ 0 0 38 89,-0.5 -1,-0.3 -4,-0.4 90,-0.1 0.605 89.9 63.8 -67.3 -14.3 13.6 -42.5 76.1 55 75 A L G < S+ 0 0 28 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.600 79.6 103.6 -83.2 -6.6 11.8 -42.3 72.7 56 76 A V S < S- 0 0 23 -3,-1.6 24,-0.2 -4,-0.3 3,-0.1 -0.545 74.3-122.9 -79.3 131.7 15.0 -43.4 70.8 57 77 A P - 0 0 47 0, 0.0 13,-2.7 0, 0.0 3,-0.1 -0.247 35.6 -86.8 -66.5 162.3 14.9 -47.0 69.6 58 78 A A - 0 0 55 11,-0.2 21,-0.2 1,-0.1 20,-0.1 -0.335 62.3 -83.6 -65.3 147.7 17.6 -49.4 70.6 59 79 A F + 0 0 27 19,-2.2 2,-0.3 10,-0.2 10,-0.2 -0.271 67.2 146.3 -57.2 129.6 20.5 -49.4 68.2 60 80 A H E -B 68 0B 79 8,-2.3 8,-2.6 -3,-0.1 2,-0.6 -0.986 50.8-112.3-154.4 168.8 20.2 -51.4 65.1 61 81 A R E -B 67 0B 156 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.910 40.1-140.6-102.9 122.2 21.0 -51.7 61.4 62 82 A D > - 0 0 24 4,-3.0 3,-2.2 -2,-0.6 5,-0.0 -0.253 30.2 -94.1 -80.2 176.4 17.8 -51.3 59.4 63 83 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.689 124.4 56.0 -70.0 -13.7 17.0 -53.3 56.3 64 84 A N T 3 S- 0 0 91 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.363 121.7-103.6 -93.9 7.2 18.5 -50.6 54.0 65 85 A G S < S+ 0 0 15 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.611 78.5 133.1 89.3 8.1 21.8 -50.7 55.8 66 86 A K - 0 0 74 136,-0.0 -4,-3.0 2,-0.0 -1,-0.3 -0.822 52.9-131.8 -94.1 136.6 21.3 -47.5 57.7 67 87 A Y E +B 61 0B 38 -2,-0.4 136,-0.5 -6,-0.2 2,-0.3 -0.584 32.5 174.5 -83.6 145.6 22.1 -47.5 61.4 68 88 A K E +BC 60 202B 48 -8,-2.6 -8,-2.3 -2,-0.2 134,-0.2 -0.998 33.3 14.3-147.6 147.8 19.5 -46.0 63.7 69 89 A G + 0 0 0 132,-2.7 -11,-0.2 -2,-0.3 -10,-0.2 -0.322 60.9 109.4 94.2-172.0 18.8 -45.6 67.4 70 90 A G - 0 0 0 -13,-2.7 2,-0.3 8,-0.4 8,-0.2 -0.280 61.4 -86.3 90.6-175.6 21.1 -46.0 70.4 71 91 A Q B S+D 77 0C 16 6,-2.6 6,-2.0 8,-0.2 3,-0.1 -0.914 78.2 51.2-138.9 162.9 22.6 -43.4 72.8 72 92 A F S > S- 0 0 30 -2,-0.3 3,-1.6 3,-0.2 173,-0.2 0.085 94.5 -83.6 80.0 156.1 25.7 -41.2 72.8 73 93 A W T 3 S+ 0 0 27 1,-0.3 172,-2.5 171,-0.1 156,-0.2 0.782 134.9 41.5 -59.3 -28.3 26.6 -38.9 69.9 74 94 A D T 3 S- 0 0 5 170,-0.2 -1,-0.3 154,-0.2 158,-0.2 0.238 110.2-120.0-107.4 15.1 28.3 -42.0 68.3 75 95 A G < + 0 0 0 -3,-1.6 -3,-0.2 1,-0.1 -4,-0.1 0.691 64.0 143.9 68.2 17.8 25.6 -44.5 69.2 76 96 A R + 0 0 55 -6,-0.1 2,-0.4 156,-0.0 -4,-0.2 0.552 56.4 65.4 -81.3 -1.3 28.0 -46.7 71.2 77 97 A A B S-D 71 0C 0 -6,-2.0 -6,-2.6 1,-0.1 -18,-0.2 -0.937 76.2-144.5-111.9 132.7 25.4 -47.6 73.8 78 98 A D S S- 0 0 65 -2,-0.4 -19,-2.2 -8,-0.2 -8,-0.4 0.818 73.8 -21.1 -64.6 -28.6 22.4 -49.7 72.6 79 99 A D S > S- 0 0 63 -21,-0.2 4,-2.5 -10,-0.1 5,-0.2 -0.895 84.4 -72.4-165.5-174.0 19.8 -48.1 74.8 80 100 A L H > S+ 0 0 19 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.846 125.0 53.7 -72.4 -33.5 19.5 -46.0 78.0 81 101 A K H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.956 112.7 43.8 -67.0 -44.8 20.3 -48.9 80.4 82 102 A Q H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.907 112.7 54.0 -61.9 -38.6 23.6 -49.7 78.5 83 103 A Q H X S+ 0 0 23 -4,-2.5 4,-3.5 1,-0.2 -1,-0.2 0.919 105.5 52.5 -61.0 -42.7 24.3 -46.0 78.4 84 104 A A H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.902 110.0 47.6 -64.5 -40.6 23.9 -45.6 82.2 85 105 A G H X S+ 0 0 9 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.944 114.5 47.1 -61.4 -43.3 26.4 -48.4 82.8 86 106 A Q H X S+ 0 0 66 -4,-2.6 4,-0.7 1,-0.2 3,-0.3 0.909 110.9 53.0 -62.5 -41.0 28.8 -46.8 80.3 87 107 A S H >< S+ 0 0 13 -4,-3.5 7,-2.0 1,-0.2 3,-0.8 0.888 102.6 56.6 -61.8 -42.4 28.2 -43.4 82.0 88 108 A M H 3< S+ 0 0 3 -4,-2.3 8,-2.7 1,-0.3 -1,-0.2 0.871 119.8 32.0 -61.1 -31.6 29.1 -44.7 85.5 89 109 A L H 3< S+ 0 0 47 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.402 92.7 114.4-103.5 4.1 32.5 -45.9 84.1 90 110 A N X<> - 0 0 19 -3,-0.8 5,-2.0 -4,-0.7 3,-1.9 -0.606 61.8-143.6 -81.3 127.3 33.1 -43.2 81.5 91 111 A P T 3 5S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.765 103.1 50.0 -60.4 -21.8 36.0 -40.9 82.2 92 112 A V T 3 5S+ 0 0 92 2,-0.0 -5,-0.1 -3,-0.0 -2,-0.1 0.430 122.2 28.6 -99.5 5.4 34.1 -38.0 80.7 93 113 A E T < 5S- 0 0 34 -3,-1.9 -5,-0.1 -6,-0.2 -6,-0.1 0.306 137.6 -19.7-120.1-106.1 30.9 -38.7 82.8 94 114 A M T 5S- 0 0 7 -7,-2.0 -73,-2.8 -74,-0.1 -6,-0.2 0.766 71.4-156.7 -85.0 -27.6 31.0 -40.3 86.2 95 115 A A < + 0 0 18 -5,-2.0 -6,-0.2 -8,-0.7 -7,-0.1 0.732 22.6 169.3 66.8 26.6 34.5 -41.8 85.8 96 116 A M - 0 0 4 -8,-2.7 -1,-0.2 -77,-0.2 3,-0.1 -0.495 37.1-130.8 -67.1 147.3 34.2 -44.7 88.4 97 117 A P S S- 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.834 71.9 -21.9 -76.1 -28.9 37.1 -47.0 88.0 98 118 A D > - 0 0 80 -10,-0.1 4,-1.3 1,-0.1 3,-0.3 -0.973 69.0 -89.1-166.4 173.2 35.1 -50.3 87.9 99 119 A R H > S+ 0 0 100 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.857 118.6 58.4 -64.6 -35.5 31.9 -52.0 88.9 100 120 A A H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.864 102.7 53.4 -62.3 -36.0 33.1 -53.1 92.3 101 121 A A H > S+ 0 0 25 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.872 109.3 50.4 -66.3 -37.4 33.8 -49.4 93.3 102 122 A V H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 3,-0.3 0.945 110.4 48.1 -63.0 -51.3 30.2 -48.6 92.3 103 123 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.895 108.3 55.2 -57.2 -38.4 28.8 -51.4 94.4 104 124 A A H X S+ 0 0 34 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.879 107.4 49.3 -63.0 -39.0 30.9 -50.4 97.4 105 125 A R H X S+ 0 0 70 -4,-1.5 4,-0.5 -3,-0.3 3,-0.5 0.923 111.2 50.0 -66.2 -40.1 29.4 -46.8 97.2 106 126 A L H >< S+ 0 0 1 -4,-2.3 3,-1.3 1,-0.2 6,-0.3 0.919 107.5 54.4 -64.3 -38.4 25.9 -48.3 97.1 107 127 A R H 3< S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.710 98.0 64.3 -64.7 -28.1 26.6 -50.5 100.1 108 128 A D H 3< S+ 0 0 126 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.684 92.6 73.7 -68.4 -19.2 27.6 -47.5 102.2 109 129 A D XX - 0 0 56 -3,-1.3 4,-1.7 -4,-0.5 3,-1.5 -0.855 66.2-158.7-108.4 109.3 24.2 -46.1 102.0 110 130 A P H 3> S+ 0 0 69 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.772 93.2 57.7 -53.5 -33.6 21.4 -47.7 104.1 111 131 A A H 3> S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.775 106.2 50.2 -69.8 -28.3 18.6 -46.3 102.0 112 132 A Y H <>>S+ 0 0 2 -3,-1.5 4,-3.0 -6,-0.3 5,-0.5 0.855 106.7 53.5 -75.6 -33.8 20.2 -48.0 98.9 113 133 A R H X5S+ 0 0 112 -4,-1.7 4,-2.1 -7,-0.3 5,-0.2 0.973 115.6 42.8 -58.9 -49.1 20.4 -51.4 100.7 114 134 A T H X5S+ 0 0 101 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.936 119.5 41.4 -59.1 -55.3 16.6 -50.9 101.4 115 135 A G H X5S+ 0 0 21 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.897 118.2 43.3 -66.7 -44.3 15.7 -49.6 97.9 116 136 A F H X5S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.4 0.889 113.5 51.0 -72.4 -41.4 17.7 -52.0 95.8 117 137 A E H X< - 0 0 30 -4,-1.8 3,-1.7 -5,-0.4 -1,-0.2 -0.107 51.5 -48.2 104.9 155.1 16.4 -59.2 96.1 122 142 A K T 3 S+ 0 0 176 1,-0.2 -9,-0.0 2,-0.1 -4,-0.0 -0.344 121.8 19.1 -59.0 140.7 18.4 -59.6 99.3 123 143 A G T > S+ 0 0 19 -10,-0.1 3,-1.4 1,-0.0 4,-0.4 0.480 78.3 132.0 77.2 1.9 22.2 -59.3 98.8 124 144 A V G X S+ 0 0 1 -3,-1.7 3,-1.1 1,-0.3 7,-0.5 0.868 70.9 53.5 -52.7 -40.8 22.0 -57.6 95.4 125 145 A L G 3 S+ 0 0 3 1,-0.2 -1,-0.3 5,-0.1 -18,-0.2 0.619 98.6 62.6 -76.6 -10.0 24.6 -54.9 96.5 126 146 A D G < S+ 0 0 116 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.506 94.1 70.0 -83.5 -11.4 27.2 -57.6 97.6 127 147 A D S <> S- 0 0 60 -3,-1.1 4,-3.2 -4,-0.4 5,-0.2 -0.933 74.0-158.8-109.1 105.9 27.4 -58.8 94.0 128 148 A P H > S+ 0 0 45 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.852 89.2 49.8 -62.7 -31.8 29.1 -56.0 92.0 129 149 A E H > S+ 0 0 114 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.902 115.4 41.7 -69.6 -43.3 27.8 -57.2 88.7 130 150 A R H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.907 115.2 52.8 -68.5 -37.1 24.1 -57.4 89.9 131 151 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 -7,-0.5 -2,-0.2 0.932 112.7 43.1 -63.3 -49.1 24.6 -54.1 91.8 132 152 A F H X S+ 0 0 11 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.930 113.7 50.2 -64.3 -47.2 25.9 -52.2 88.8 133 153 A D H X S+ 0 0 69 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.903 110.6 50.4 -59.6 -40.0 23.3 -53.7 86.4 134 154 A A H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.893 109.2 51.6 -62.4 -43.0 20.5 -52.8 88.8 135 155 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.924 111.5 46.6 -62.4 -40.0 21.7 -49.2 89.2 136 156 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.916 111.4 52.0 -69.9 -37.2 21.8 -48.8 85.4 137 157 A E H X S+ 0 0 70 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.882 111.7 46.5 -59.6 -47.4 18.3 -50.3 85.1 138 158 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -128,-0.3 0.901 111.6 50.6 -62.6 -42.6 17.0 -47.8 87.8 139 159 A L H X S+ 0 0 7 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.932 112.4 48.1 -66.3 -39.8 18.7 -44.8 86.0 140 160 A A H X S+ 0 0 14 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.889 110.2 50.9 -65.6 -41.5 17.2 -45.9 82.7 141 161 A A H >< S+ 0 0 26 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.901 108.1 53.2 -64.4 -41.0 13.7 -46.3 84.2 142 162 A Y H >< S+ 0 0 27 -4,-2.4 3,-1.7 1,-0.2 6,-0.3 0.932 106.4 51.7 -59.3 -42.6 13.8 -42.9 85.7 143 163 A Q H 3< S+ 0 0 6 -4,-1.9 -89,-0.5 1,-0.3 -1,-0.2 0.661 102.4 62.4 -71.9 -11.7 14.7 -41.3 82.4 144 164 A A T << S+ 0 0 66 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.339 83.6 109.1 -93.4 4.6 11.6 -43.1 80.8 145 165 A T S X> S- 0 0 41 -3,-1.7 3,-1.4 -4,-0.2 4,-0.8 -0.354 85.1-107.5 -77.8 165.4 9.3 -41.2 83.0 146 166 A G G >4 S+ 0 0 55 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.826 112.3 70.3 -59.1 -25.8 6.9 -38.5 81.9 147 167 A E G 34 S+ 0 0 105 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.823 101.2 43.7 -63.7 -30.5 8.9 -35.9 83.6 148 168 A F G <4 S+ 0 0 0 -3,-1.4 -96,-1.3 -6,-0.3 -1,-0.3 0.655 127.6 30.0 -87.8 -16.0 11.7 -36.2 81.0 149 169 A S << + 0 0 15 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.1 -0.567 68.9 153.7-139.5 72.8 9.3 -36.4 78.1 150 170 A P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.700 38.1-147.1 -84.7 -14.8 6.2 -34.3 78.9 151 171 A F + 0 0 27 1,-0.1 45,-0.0 178,-0.1 -2,-0.0 0.905 57.7 127.6 51.3 45.6 5.1 -33.4 75.4 152 172 A D + 0 0 35 177,-0.1 -1,-0.1 4,-0.1 178,-0.1 0.069 28.4 125.6-121.4 26.5 3.7 -30.1 76.7 153 173 A S S > S- 0 0 0 178,-0.2 4,-2.1 176,-0.1 5,-0.2 -0.237 78.2-102.2 -73.2 167.9 5.4 -27.5 74.4 154 174 A K H > S+ 0 0 36 176,-0.6 4,-3.4 174,-0.3 5,-0.3 0.927 125.8 57.1 -53.7 -45.7 3.5 -24.9 72.4 155 175 A Y H > S+ 0 0 20 173,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.911 106.8 48.2 -48.7 -48.8 4.0 -27.2 69.4 156 176 A D H > S+ 0 0 11 172,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.889 111.5 49.1 -59.0 -45.3 2.3 -30.0 71.3 157 177 A R H <>S+ 0 0 15 -4,-2.1 5,-2.8 1,-0.2 6,-0.7 0.909 111.8 49.0 -63.2 -42.2 -0.6 -27.7 72.3 158 178 A V H ><5S+ 0 0 22 -4,-3.4 3,-1.7 1,-0.2 -2,-0.2 0.915 108.6 52.2 -64.5 -43.0 -1.1 -26.4 68.8 159 179 A M H 3<5S+ 0 0 56 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.820 108.0 52.6 -65.8 -21.4 -1.1 -29.9 67.3 160 180 A R T 3<5S- 0 0 132 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.368 118.7-115.5 -88.1 -0.5 -3.8 -30.8 69.9 161 181 A G T < 5S+ 0 0 65 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.733 82.5 122.7 73.2 24.7 -5.8 -27.8 68.7 162 182 A E S - 0 0 57 1,-0.1 4,-3.2 -2,-0.1 5,-0.2 -0.429 38.0 -99.5 -69.5 164.6 1.7 -17.0 65.5 167 187 A P H > S+ 0 0 113 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.894 127.2 49.8 -51.9 -43.3 2.1 -16.1 61.8 168 188 A L H > S+ 0 0 84 2,-0.2 4,-2.4 1,-0.2 157,-0.2 0.933 112.1 45.6 -65.7 -43.5 5.9 -16.2 62.3 169 189 A E H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 112.2 52.9 -64.3 -40.4 5.9 -19.6 64.0 170 190 A E H X S+ 0 0 24 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.922 108.8 48.9 -60.3 -47.1 3.5 -21.0 61.3 171 191 A F H X S+ 0 0 31 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.923 111.7 50.0 -56.4 -45.9 5.9 -19.8 58.6 172 192 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 149,-0.3 -1,-0.2 0.855 110.0 49.4 -63.8 -39.2 8.8 -21.5 60.4 173 193 A Y H X S+ 0 0 6 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.900 111.8 49.9 -62.2 -42.9 6.8 -24.8 60.8 174 194 A T H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.892 111.9 47.2 -65.3 -39.3 6.0 -24.6 57.0 175 195 A V H >X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-0.8 0.943 111.1 52.2 -66.0 -47.1 9.6 -24.0 56.1 176 196 A F H 3< S+ 0 0 4 -4,-2.5 6,-0.9 1,-0.2 -2,-0.2 0.885 112.6 43.7 -57.0 -41.8 10.8 -26.8 58.4 177 197 A I H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.544 121.4 39.2 -82.5 -11.7 8.4 -29.4 56.9 178 198 A T H << S+ 0 0 2 -4,-1.0 557,-0.5 -3,-0.8 -2,-0.2 0.579 108.1 66.0-106.5 -25.4 9.1 -28.3 53.2 179 199 A W S >< S- 0 0 26 -4,-2.5 3,-1.4 -5,-0.2 4,-0.3 -0.314 105.7 -83.5 -92.4-176.9 12.8 -27.7 53.3 180 200 A N G > S+ 0 0 23 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.670 110.8 84.3 -69.6 -11.1 15.6 -30.3 54.0 181 201 A C G >> S+ 0 0 25 1,-0.3 4,-3.3 -6,-0.2 3,-1.6 0.883 85.7 57.9 -58.0 -34.8 15.2 -30.2 57.8 182 202 A R G <4 S+ 0 0 23 -3,-1.4 4,-0.3 -6,-0.9 -1,-0.3 0.694 90.3 72.2 -73.7 -12.5 12.4 -32.7 57.6 183 203 A L G <4 S+ 0 0 31 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.676 121.5 9.7 -67.4 -22.1 14.6 -35.2 55.9 184 204 A C T <4 S+ 0 0 20 -3,-1.6 16,-1.8 -4,-0.4 18,-0.3 0.582 123.8 59.5-127.4 -32.2 16.5 -35.8 59.1 185 205 A H S < S+ 0 0 19 -4,-3.3 2,-0.3 14,-0.2 14,-0.1 -0.142 89.1 80.7-102.8 43.4 14.7 -34.0 62.0 186 206 A M S S- 0 0 18 -4,-0.3 10,-0.0 12,-0.2 62,-0.0 -0.995 75.0-134.7-136.8 143.0 11.3 -35.9 61.7 187 207 A Q S S+ 0 0 47 -2,-0.3 2,-0.2 13,-0.1 -1,-0.1 0.917 84.3 39.4 -63.1 -43.3 10.7 -39.4 63.1 188 208 A R - 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0 0 21 -3,-1.5 3,-2.3 -4,-0.4 5,-1.5 -0.639 60.2-144.7 -86.7 124.3 33.3 -16.8 -35.0 435 111 B P T 3 5S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -48,-0.0 0.826 103.9 47.5 -53.2 -30.8 36.9 -18.2 -35.5 436 112 B V T 3 5S+ 0 0 77 -50,-0.1 -49,-0.1 -3,-0.0 -5,-0.1 0.431 122.8 29.1 -93.0 3.8 35.6 -21.5 -34.2 437 113 B E T < 5S- 0 0 33 -3,-2.3 -5,-0.1 -6,-0.2 -6,-0.1 0.209 137.1 -18.9-121.3-106.2 32.5 -21.7 -36.4 438 114 B M T 5S- 0 0 8 -7,-1.6 -78,-2.5 -79,-0.1 -6,-0.2 0.800 73.1-158.0 -81.3 -29.9 32.3 -20.1 -39.8 439 115 B A < + 0 0 17 -5,-1.5 -6,-0.2 -8,-0.7 -7,-0.1 0.666 23.0 166.2 67.5 28.8 35.2 -17.7 -39.3 440 116 B M - 0 0 5 -8,-2.4 -1,-0.2 -82,-0.3 3,-0.1 -0.454 38.3-130.2 -70.9 148.5 34.5 -15.0 -41.8 441 117 B P S S- 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.820 72.2 -18.2 -74.0 -32.9 36.5 -11.9 -41.2 442 118 B D > - 0 0 78 -10,-0.1 4,-1.4 1,-0.1 3,-0.3 -0.972 68.5 -92.5-163.1 170.6 33.8 -9.3 -41.3 443 119 B R H > S+ 0 0 97 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.864 119.2 59.2 -61.6 -39.4 30.2 -8.5 -42.4 444 120 B A H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 103.5 52.3 -54.6 -39.1 31.4 -7.1 -45.7 445 121 B A H > S+ 0 0 24 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.863 109.6 48.5 -66.2 -40.3 33.0 -10.4 -46.6 446 122 B V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 3,-0.4 0.971 111.5 49.2 -63.2 -52.2 29.8 -12.2 -45.8 447 123 B A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.890 107.9 55.9 -53.8 -41.8 27.8 -9.8 -48.0 448 124 B A H X S+ 0 0 36 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.892 107.5 47.7 -59.0 -39.4 30.3 -10.2 -50.8 449 125 B R H < S+ 0 0 70 -4,-1.6 3,-0.5 -3,-0.4 4,-0.5 0.903 110.7 52.6 -67.1 -42.6 29.8 -14.1 -50.9 450 126 B L H >< S+ 0 0 1 -4,-2.4 3,-1.1 1,-0.2 7,-0.3 0.908 106.0 53.2 -59.9 -42.2 26.0 -13.6 -50.9 451 127 B R H 3< S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.763 96.7 67.9 -60.4 -28.1 26.3 -11.3 -53.9 452 128 B D T 3< S+ 0 0 129 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.678 92.4 72.7 -67.6 -14.9 28.3 -13.9 -55.9 453 129 B D X> - 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