==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ELECTRON TRANSPORT 21-MAY-12 4FA4 . COMPND 2 MOLECULE: METHYLAMINE UTILIZATION PROTEIN MAUG; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR E.T.YUKL,C.M.WILMOT . 1722 6 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1128 65.5 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 22.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 1.5 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 . 9 0.5 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 . 147 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 212 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 241 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.5 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 6 3 1 3 2 0 3 2 6 0 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 . 17 12 11 12 6 15 3 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 . 5 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 6 A A > 0 0 95 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0-100.3 8.1 42.8 -94.9 2 7 A D H > + 0 0 139 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.818 360.0 45.1 -42.7 -59.3 7.8 39.9 -92.3 3 8 A D H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.955 119.7 35.9 -54.7 -65.9 6.9 37.2 -94.8 4 9 A A H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.869 115.3 56.9 -59.6 -38.7 9.4 37.9 -97.6 5 10 A L H X S+ 0 0 28 -4,-3.1 4,-2.0 1,-0.2 152,-0.2 0.906 109.3 44.0 -59.4 -47.6 12.2 38.9 -95.2 6 11 A A H X S+ 0 0 9 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.889 111.5 54.9 -66.7 -38.6 12.0 35.6 -93.3 7 12 A A H X S+ 0 0 58 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.834 108.0 49.5 -63.4 -36.9 11.8 33.7 -96.7 8 13 A L H X S+ 0 0 11 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.915 110.7 50.2 -61.8 -44.2 15.0 35.5 -97.7 9 14 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 144,-0.3 -2,-0.2 0.859 105.4 57.3 -65.3 -36.6 16.5 34.4 -94.3 10 15 A A H X S+ 0 0 32 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.921 107.7 47.5 -59.5 -47.4 15.3 30.8 -95.1 11 16 A Q H >< S+ 0 0 99 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.946 115.0 45.0 -52.5 -55.0 17.4 30.9 -98.3 12 17 A L H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 14,-0.4 0.837 102.3 66.5 -62.1 -30.5 20.5 32.3 -96.5 13 18 A F H 3< S+ 0 0 1 -4,-2.2 14,-2.4 1,-0.3 13,-0.5 0.841 110.7 34.5 -63.8 -34.3 20.2 29.9 -93.6 14 19 A V T << S+ 0 0 80 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.121 92.6 111.5-103.5 18.6 21.0 26.9 -95.8 15 20 A D X - 0 0 26 -3,-1.8 3,-1.1 1,-0.1 11,-0.2 -0.822 43.4-171.6-104.4 115.0 23.4 28.6 -98.2 16 21 A P G > S+ 0 0 51 0, 0.0 3,-1.8 0, 0.0 8,-0.6 0.552 74.5 88.1 -76.2 -2.5 27.1 27.4 -98.0 17 22 A A G 3 S+ 0 0 27 1,-0.3 103,-0.1 5,-0.1 8,-0.1 0.624 78.9 67.8 -71.5 -4.5 28.1 30.3 -100.4 18 23 A L G < S+ 0 0 2 -3,-1.1 93,-0.4 6,-0.3 2,-0.3 0.138 88.2 78.3 -93.5 11.5 28.4 32.3 -97.1 19 24 A S S X S- 0 0 0 -3,-1.8 3,-1.2 91,-0.1 91,-0.2 -0.930 91.9-114.3-118.6 152.4 31.4 30.3 -96.0 20 25 A R T 3 S+ 0 0 140 89,-2.5 90,-0.1 -2,-0.3 -1,-0.1 0.859 116.4 29.2 -53.2 -46.4 34.9 30.8 -97.4 21 26 A N T 3 S- 0 0 82 88,-0.3 -1,-0.3 -3,-0.0 -4,-0.1 0.403 111.3-116.8 -95.6 0.1 35.3 27.5 -99.1 22 27 A A S < S+ 0 0 46 -3,-1.2 -5,-0.1 -6,-0.3 -2,-0.1 0.778 83.3 117.8 62.6 34.9 31.5 27.3 -99.7 23 28 A T + 0 0 87 86,-0.2 2,-0.3 -7,-0.1 -6,-0.1 0.506 63.1 48.4-105.1 -7.9 31.3 24.1 -97.5 24 29 A Q - 0 0 6 -8,-0.6 2,-0.3 85,-0.1 -6,-0.3 -0.989 48.6-178.9-142.2 148.3 29.0 25.3 -94.7 25 30 A S >> - 0 0 9 -2,-0.3 3,-1.2 -8,-0.1 4,-1.0 -0.766 52.2 -95.6-124.9 169.2 25.8 27.1 -94.0 26 31 A C H >> S+ 0 0 22 -13,-0.5 4,-3.5 -14,-0.4 3,-0.9 0.940 127.2 60.9 -47.7 -48.9 24.1 28.1 -90.7 27 32 A A H 34 S+ 0 0 14 -14,-2.4 -1,-0.2 1,-0.2 -13,-0.1 0.719 90.5 67.2 -49.3 -32.1 22.2 24.8 -91.3 28 33 A T H <4 S+ 0 0 36 -3,-1.2 3,-0.3 1,-0.2 12,-0.3 0.943 119.0 20.7 -57.4 -49.1 25.4 22.7 -91.2 29 34 A C H << S+ 0 0 18 -4,-1.0 2,-0.8 -3,-0.9 -2,-0.2 0.770 129.3 48.3 -92.9 -31.3 25.9 23.5 -87.6 30 35 A H S < S- 0 0 31 -4,-3.5 -1,-0.3 -5,-0.2 8,-0.2 -0.624 85.6-168.1-105.1 75.0 22.4 24.4 -86.7 31 36 A D B > > -A 37 0A 49 6,-2.2 3,-2.6 -2,-0.8 5,-2.2 -0.439 19.4-149.4 -74.0 113.3 20.8 21.4 -88.3 32 37 A P G > 5S+ 0 0 43 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.761 98.9 57.9 -49.6 -24.7 17.0 21.7 -88.6 33 38 A A G 3 5S+ 0 0 70 1,-0.2 -2,-0.1 4,-0.1 -3,-0.0 0.639 109.2 46.4 -83.6 -11.3 16.7 17.9 -88.3 34 39 A R G < 5S- 0 0 69 -3,-2.6 3,-0.4 3,-0.3 -1,-0.2 -0.188 129.4 -89.2-120.5 41.9 18.5 18.1 -85.0 35 40 A A T < 5S- 0 0 0 -3,-0.8 31,-0.5 1,-0.2 30,-0.3 0.844 86.5 -57.6 53.7 36.2 16.6 21.0 -83.4 36 41 A F S -B 45 0B 20 3,-2.9 3,-1.7 -2,-0.3 5,-0.1 -0.495 52.9 -75.6-123.4-169.6 34.5 16.0 -84.4 43 48 A K T 3 S+ 0 0 155 1,-0.3 3,-0.1 -2,-0.2 186,-0.1 0.915 134.5 40.8 -52.6 -42.6 37.8 15.6 -82.5 44 49 A A T > S- 0 0 9 1,-0.3 3,-1.4 4,-0.2 2,-0.3 -0.044 115.0-115.7 -98.6 28.2 35.8 16.3 -79.3 45 50 A G B < S-B 42 0B 24 -3,-1.7 -3,-2.9 1,-0.2 -1,-0.3 -0.606 73.9 -33.8 76.8-132.0 32.7 14.2 -80.2 46 51 A L T 3 S+ 0 0 38 -2,-0.3 16,-0.3 -5,-0.2 -1,-0.2 0.242 113.8 101.7-104.4 8.8 29.7 16.4 -80.5 47 52 A A S < S+ 0 0 4 -3,-1.4 2,-0.3 14,-0.1 -1,-0.1 0.868 92.2 13.8 -61.5 -42.5 30.8 18.8 -77.8 48 53 A V S S- 0 0 1 -3,-0.2 2,-0.2 13,-0.2 13,-0.2 -0.933 77.8-119.0-134.3 160.7 32.0 21.4 -80.4 49 54 A S - 0 0 13 11,-0.6 9,-2.3 -2,-0.3 2,-0.5 -0.660 20.2-123.0 -99.5 158.4 31.6 22.1 -84.1 50 55 A V B -C 57 0C 20 -2,-0.2 7,-0.3 7,-0.2 58,-0.1 -0.825 27.3-131.0-101.6 125.8 34.1 22.2 -86.9 51 56 A G > - 0 0 4 5,-4.0 3,-1.6 -2,-0.5 57,-0.2 0.019 36.5 -83.5 -65.1-177.6 34.3 25.4 -89.0 52 57 A D T 3 S+ 0 0 5 56,-2.9 57,-0.1 1,-0.3 -1,-0.1 0.752 121.3 69.3 -59.8 -32.4 34.4 25.7 -92.9 53 58 A D T 3 S- 0 0 59 55,-0.4 -1,-0.3 53,-0.3 -2,-0.1 0.438 105.0-125.5 -66.6 -0.5 38.1 25.0 -93.1 54 59 A G S < S+ 0 0 56 -3,-1.6 -2,-0.1 2,-0.2 -1,-0.1 0.398 98.8 57.6 67.7 -0.6 37.5 21.3 -92.0 55 60 A Q S S+ 0 0 142 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.651 73.7 94.3-125.1 -35.4 39.9 21.7 -89.1 56 61 A S - 0 0 37 50,-0.2 -5,-4.0 52,-0.1 2,-0.3 -0.559 53.5-164.9 -72.2 117.0 39.0 24.6 -86.8 57 62 A H B -C 50 0C 12 175,-0.7 -7,-0.2 -2,-0.5 51,-0.1 -0.810 15.5-126.9 -98.9 142.0 36.9 23.5 -83.8 58 63 A G - 0 0 13 -9,-2.3 176,-0.1 -2,-0.3 -1,-0.1 -0.182 11.2-131.2 -70.8 173.8 34.9 25.9 -81.5 59 64 A D S S+ 0 0 22 174,-0.1 2,-0.3 2,-0.1 174,-0.1 0.437 86.4 57.3-105.3 -4.7 35.3 26.0 -77.7 60 65 A R S S- 0 0 46 -11,-0.1 -11,-0.6 169,-0.1 216,-0.3 -0.932 88.3-103.4-130.5 152.5 31.6 25.9 -77.1 61 66 A N - 0 0 16 214,-2.1 -13,-0.2 -2,-0.3 -14,-0.1 -0.422 41.1-108.6 -72.4 139.8 28.7 23.6 -77.9 62 67 A T - 0 0 16 -16,-0.3 -24,-0.3 -2,-0.1 2,-0.2 -0.629 38.7-145.5 -74.0 115.2 26.4 24.7 -80.7 63 68 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 212,-0.0 -0.458 20.8 -96.2 -79.8 156.8 23.1 25.7 -79.1 64 69 A T - 0 0 25 -2,-0.2 -28,-0.2 1,-0.1 -27,-0.1 -0.295 17.9-149.4 -57.4 149.8 19.7 25.2 -80.6 65 70 A L > + 0 0 16 -30,-0.3 3,-2.0 2,-0.1 4,-0.5 0.557 64.0 115.9 -94.4 -17.0 18.2 28.2 -82.4 66 71 A G T 3 S- 0 0 3 -31,-0.5 98,-0.2 1,-0.3 197,-0.1 -0.335 90.2 -0.5 -52.6 127.0 14.7 27.0 -81.4 67 72 A Y T > S+ 0 0 2 96,-0.8 3,-1.7 91,-0.2 4,-0.3 0.468 94.0 120.8 75.4 -0.9 13.1 29.5 -79.1 68 73 A A G X + 0 0 12 -3,-2.0 3,-1.7 1,-0.3 -2,-0.1 0.830 65.7 66.3 -66.3 -29.8 16.1 31.8 -79.2 69 74 A A G 3 S+ 0 0 37 89,-0.5 -1,-0.3 -4,-0.5 90,-0.1 0.586 91.2 64.3 -67.6 -9.1 13.8 34.5 -80.6 70 75 A L G < S+ 0 0 25 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.595 78.5 102.6 -85.7 -9.7 12.0 34.6 -77.2 71 76 A V S < S- 0 0 22 -3,-1.7 14,-0.1 -4,-0.3 3,-0.1 -0.567 76.2-121.8 -76.0 129.0 15.1 35.8 -75.4 72 77 A P - 0 0 46 0, 0.0 13,-2.4 0, 0.0 3,-0.1 -0.184 37.1 -87.8 -61.6 163.1 15.0 39.6 -74.6 73 78 A A - 0 0 55 11,-0.2 21,-0.2 1,-0.1 20,-0.1 -0.386 64.3 -77.1 -65.3 147.2 17.7 41.8 -75.9 74 79 A F S S+ 0 0 31 19,-2.2 2,-0.3 10,-0.2 10,-0.2 -0.171 70.6 147.5 -50.8 135.2 20.7 42.0 -73.5 75 80 A H E -D 83 0D 74 8,-2.3 8,-2.8 -3,-0.1 2,-0.5 -0.976 49.5-119.4-162.3 161.1 20.1 44.3 -70.4 76 81 A R E -D 82 0D 158 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.915 38.8-143.5 -97.1 124.7 20.9 44.8 -66.7 77 82 A D > - 0 0 19 4,-2.6 3,-2.6 -2,-0.5 4,-0.1 -0.372 30.1 -93.3 -87.6 176.9 17.6 44.7 -64.8 78 83 A A T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.746 125.3 58.4 -67.2 -20.5 16.9 47.0 -61.8 79 84 A N T 3 S- 0 0 86 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.500 120.6-108.3 -82.9 1.4 18.1 44.3 -59.3 80 85 A G S < S+ 0 0 18 -3,-2.6 2,-0.5 1,-0.3 -2,-0.1 0.646 75.4 133.9 83.7 17.4 21.5 44.4 -61.1 81 86 A K - 0 0 65 -4,-0.1 -4,-2.6 136,-0.0 -1,-0.3 -0.846 54.7-127.9-101.4 134.8 21.3 41.0 -62.8 82 87 A Y E -D 76 0D 40 -2,-0.5 136,-0.7 -6,-0.2 2,-0.3 -0.595 33.9-178.5 -80.2 146.2 22.2 40.8 -66.4 83 88 A K E +DE 75 217D 41 -8,-2.8 -8,-2.3 -2,-0.2 134,-0.2 -0.997 32.6 0.6-146.6 142.2 19.5 39.2 -68.7 84 89 A G + 0 0 0 132,-2.4 -11,-0.2 -2,-0.3 -10,-0.2 -0.349 58.1 120.2 89.0-157.6 19.0 38.2 -72.3 85 90 A G - 0 0 0 -13,-2.4 2,-0.3 8,-0.4 8,-0.2 -0.343 60.9 -82.3 85.2-174.7 21.3 38.5 -75.3 86 91 A Q B S+F 92 0E 18 6,-2.2 6,-1.6 4,-0.2 3,-0.1 -0.879 82.9 44.7-133.4 162.7 22.6 35.7 -77.6 87 92 A F S > S- 0 0 30 -2,-0.3 3,-1.9 3,-0.2 173,-0.2 0.204 96.6 -81.4 72.7 155.2 25.6 33.3 -77.3 88 93 A W T 3 S+ 0 0 24 1,-0.3 172,-2.8 2,-0.1 156,-0.2 0.720 134.5 43.0 -58.5 -27.0 26.4 31.4 -74.1 89 94 A D T 3 S- 0 0 5 170,-0.2 -1,-0.3 154,-0.2 158,-0.3 0.270 108.6-122.3-106.3 8.4 28.2 34.5 -72.8 90 95 A G < + 0 0 0 -3,-1.9 -4,-0.2 1,-0.1 -3,-0.2 0.600 63.9 141.9 72.1 10.2 25.6 37.0 -74.0 91 96 A R + 0 0 79 -6,-0.1 2,-0.3 156,-0.0 -4,-0.2 0.696 56.2 66.4 -69.6 -21.2 28.1 38.9 -76.0 92 97 A A B S-F 86 0E 1 -6,-1.6 -6,-2.2 1,-0.1 -18,-0.1 -0.800 77.2-143.3 -90.2 143.9 25.6 39.6 -78.9 93 98 A D S S- 0 0 72 -2,-0.3 -19,-2.2 -8,-0.2 -8,-0.4 0.869 73.0 -23.4 -75.5 -33.9 22.6 41.9 -78.0 94 99 A D S > S- 0 0 59 -21,-0.2 4,-1.7 -9,-0.1 -8,-0.2 -0.809 81.7 -73.3-164.1-174.3 20.1 40.1 -80.0 95 100 A L H > S+ 0 0 19 -2,-0.2 4,-2.2 1,-0.2 60,-0.1 0.857 124.7 53.5 -71.6 -34.3 19.6 37.7 -83.0 96 101 A K H > S+ 0 0 49 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.914 111.0 44.1 -68.0 -46.5 20.4 40.3 -85.5 97 102 A Q H > S+ 0 0 96 1,-0.2 4,-0.6 2,-0.1 3,-0.3 0.849 116.0 51.0 -67.3 -28.8 23.7 41.3 -83.9 98 103 A Q H >< S+ 0 0 26 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.884 95.3 70.8 -72.3 -37.1 24.5 37.6 -83.5 99 104 A A H 3X S+ 0 0 5 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.756 95.7 50.0 -55.4 -36.7 23.8 36.6 -87.2 100 105 A G H >X S+ 0 0 5 -4,-0.7 3,-0.9 -3,-0.3 4,-0.9 0.893 95.4 72.9 -72.4 -38.7 26.8 38.2 -88.8 101 106 A Q H XX S+ 0 0 77 -4,-0.6 4,-1.1 -3,-0.6 3,-1.0 0.864 91.5 51.6 -51.3 -50.9 29.4 36.8 -86.5 102 107 A P H 34 S+ 0 0 21 0, 0.0 7,-1.9 0, 0.0 8,-0.7 0.848 106.3 58.9 -55.4 -34.3 29.5 33.1 -87.6 103 108 A M H << S+ 0 0 1 -3,-0.9 8,-3.1 -4,-0.5 -2,-0.2 0.799 116.0 30.9 -56.0 -41.6 30.0 34.4 -91.2 104 109 A L H << S+ 0 0 39 -3,-1.0 -1,-0.2 -4,-0.9 -3,-0.1 0.323 91.3 112.5-101.3 -3.9 33.2 36.3 -90.4 105 110 A N ><> - 0 0 41 -4,-1.1 5,-2.5 -5,-0.2 3,-1.4 -0.678 59.5-150.2 -76.1 122.5 34.3 34.0 -87.6 106 111 A P T 3 5S+ 0 0 90 0, 0.0 -53,-0.3 0, 0.0 -50,-0.2 0.735 97.2 53.3 -67.7 -23.7 37.5 32.2 -88.9 107 112 A V T 3 5S+ 0 0 49 -56,-0.1 -56,-0.5 -55,-0.1 -49,-0.1 0.454 122.9 28.3 -84.4 -1.1 36.8 29.1 -86.7 108 113 A E T < 5S- 0 0 59 -3,-1.4 -56,-2.9 -57,-0.2 -55,-0.4 0.214 137.3 -15.6-124.2-116.0 33.3 28.9 -88.3 109 114 A M T 5S- 0 0 4 -7,-1.9 -89,-2.5 -58,-0.2 -88,-0.3 0.818 76.9-158.1 -75.2 -26.6 32.2 30.1 -91.7 110 115 A A < + 0 0 14 -5,-2.5 -6,-0.2 -8,-0.7 -7,-0.1 0.664 22.9 167.9 64.3 28.3 35.3 32.1 -92.1 111 116 A M - 0 0 5 -8,-3.1 -1,-0.2 -93,-0.4 3,-0.1 -0.554 36.6-133.5 -60.5 139.6 34.4 34.8 -94.7 112 117 A P S S- 0 0 92 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.827 72.5 -17.0 -64.9 -37.5 37.3 37.4 -94.6 113 118 A D S >> S- 0 0 77 -10,-0.1 4,-1.8 1,-0.1 3,-1.0 -0.978 71.2 -90.7-164.8 164.7 35.1 40.4 -94.6 114 119 A R H 3> S+ 0 0 99 -2,-0.3 4,-2.8 1,-0.3 5,-0.1 0.818 121.6 61.5 -55.0 -32.1 31.6 41.8 -95.2 115 120 A A H 3> S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.895 102.0 47.9 -61.3 -42.6 32.7 42.5 -98.7 116 121 A A H <> S+ 0 0 23 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.881 111.5 52.8 -71.0 -34.3 33.4 38.9 -99.5 117 122 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.975 109.7 47.3 -57.6 -54.1 30.0 38.1 -98.1 118 123 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.856 107.6 57.0 -57.7 -40.7 28.4 40.7 -100.4 119 124 A A H X S+ 0 0 37 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.939 106.8 49.3 -56.1 -46.9 30.3 39.3 -103.4 120 125 A R H >X S+ 0 0 68 -4,-2.1 3,-0.6 1,-0.2 4,-0.5 0.874 107.4 53.7 -59.1 -39.8 28.8 35.9 -102.7 121 126 A L H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 7,-0.3 0.891 105.4 57.2 -63.0 -35.5 25.3 37.4 -102.5 122 127 A R H 3< S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.710 94.3 63.4 -67.9 -24.5 25.9 39.0 -105.9 123 128 A D H << S+ 0 0 124 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.713 91.3 76.7 -71.7 -19.9 26.6 35.6 -107.7 124 129 A D XX - 0 0 55 -3,-0.9 4,-1.9 -4,-0.5 3,-1.4 -0.816 64.9-162.9-102.0 106.9 23.1 34.5 -107.0 125 130 A P H 3> S+ 0 0 71 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.854 93.2 60.3 -52.3 -35.9 20.5 36.1 -109.3 126 131 A A H 3> S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.794 104.5 47.7 -63.1 -32.3 17.8 35.0 -106.8 127 132 A Y H <>>S+ 0 0 4 -3,-1.4 4,-3.7 -6,-0.3 5,-0.6 0.901 105.3 58.9 -73.4 -44.8 19.5 37.1 -104.0 128 133 A R H X5S+ 0 0 132 -4,-1.9 4,-2.0 -7,-0.3 -2,-0.2 0.941 115.3 36.4 -41.4 -55.1 19.7 40.1 -106.3 129 134 A T H X5S+ 0 0 102 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.921 118.8 47.5 -69.8 -49.5 15.9 39.9 -106.7 130 135 A G H X5S+ 0 0 26 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.911 117.7 41.4 -62.1 -45.7 15.0 38.9 -103.1 131 136 A F H >X>S+ 0 0 0 -4,-3.7 4,-2.9 1,-0.2 3,-0.8 0.942 112.3 54.0 -71.0 -47.3 17.3 41.5 -101.4 132 137 A E H 3X<< - 0 0 28 -4,-2.3 3,-1.5 -5,-0.5 -1,-0.2 -0.009 49.7 -38.0 101.0 160.0 16.1 48.4 -102.3 137 142 A K T 3 S+ 0 0 179 1,-0.2 -8,-0.0 2,-0.1 -9,-0.0 -0.179 121.1 14.4 -59.5 143.7 18.1 48.5 -105.5 138 143 A G T >> S+ 0 0 22 -10,-0.1 3,-1.7 1,-0.1 4,-0.6 0.372 79.5 131.4 72.7 -1.2 21.9 48.1 -105.2 139 144 A V G X4 S+ 0 0 1 -3,-1.5 3,-1.0 1,-0.3 7,-0.5 0.836 72.0 53.4 -42.4 -44.2 21.8 46.9 -101.6 140 145 A L G 34 S+ 0 0 3 1,-0.2 -1,-0.3 5,-0.1 -18,-0.2 0.630 98.7 60.8 -74.2 -20.7 24.2 44.0 -102.6 141 146 A D G <4 S+ 0 0 112 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.553 95.1 71.3 -81.9 -10.2 26.8 46.2 -104.1 142 147 A D S S+ 0 0 40 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.839 89.0 51.6 -63.1 -28.1 28.9 45.3 -98.3 144 149 A E H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.954 115.1 38.2 -69.1 -54.6 27.7 47.1 -95.2 145 150 A R H > S+ 0 0 105 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.893 116.3 56.4 -61.4 -39.8 24.0 47.2 -96.1 146 151 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 -7,-0.5 -2,-0.2 0.925 110.6 42.6 -57.1 -47.6 24.4 43.7 -97.7 147 152 A F H X S+ 0 0 14 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.887 116.4 46.0 -71.1 -45.1 25.7 42.1 -94.5 148 153 A D H X S+ 0 0 70 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.880 112.6 52.2 -60.8 -43.5 23.2 43.9 -92.2 149 154 A A H X S+ 0 0 1 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.956 110.6 47.7 -62.3 -48.8 20.4 43.0 -94.6 150 155 A A H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.873 112.8 49.2 -49.2 -44.2 21.5 39.3 -94.5 151 156 A A H X S+ 0 0 4 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.923 111.2 48.8 -71.7 -44.0 21.7 39.4 -90.7 152 157 A E H X S+ 0 0 59 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.890 110.6 50.5 -59.0 -45.1 18.3 40.9 -90.5 153 158 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -144,-0.3 0.954 112.1 48.0 -59.9 -46.9 16.9 38.3 -92.9 154 159 A L H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.922 112.8 48.4 -57.3 -47.0 18.5 35.5 -90.7 155 160 A A H X S+ 0 0 16 -4,-2.9 4,-0.7 2,-0.2 -2,-0.2 0.922 112.6 47.8 -59.2 -48.2 17.0 37.1 -87.5 156 161 A A H >< S+ 0 0 23 -4,-2.9 3,-1.1 1,-0.2 4,-0.3 0.905 109.7 53.8 -58.6 -43.5 13.6 37.4 -89.0 157 162 A Y H >< S+ 0 0 26 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.900 107.2 50.6 -60.8 -40.1 13.8 33.9 -90.2 158 163 A Q H 3< S+ 0 0 7 -4,-2.3 -89,-0.5 1,-0.3 -1,-0.3 0.624 104.4 59.9 -71.4 -9.6 14.7 32.7 -86.6 159 164 A A T << S+ 0 0 64 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.433 81.0 111.0-101.0 -0.8 11.7 34.6 -85.2 160 165 A T S X> S- 0 0 41 -3,-1.3 3,-1.9 -4,-0.3 4,-1.0 -0.358 86.5-108.2 -74.3 157.1 9.2 32.6 -87.3 161 166 A G T 34 S+ 0 0 54 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.726 114.1 74.8 -52.1 -23.2 6.8 30.2 -85.7 162 167 A E T 34 S+ 0 0 101 1,-0.2 -1,-0.3 -5,-0.2 -4,-0.1 0.779 99.3 41.2 -65.3 -27.9 8.9 27.4 -87.2 163 168 A F T <4 S+ 0 0 0 -3,-1.9 -96,-0.8 -6,-0.2 -1,-0.2 0.681 129.1 30.3 -89.2 -23.3 11.8 28.0 -84.7 164 169 A S < + 0 0 14 -4,-1.0 -1,-0.2 -98,-0.2 -2,-0.1 -0.559 69.6 154.6-133.5 66.9 9.4 28.4 -81.8 165 170 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.578 37.8-147.7 -77.2 -6.1 6.3 26.4 -82.5 166 171 A F + 0 0 27 1,-0.1 -2,-0.0 178,-0.1 45,-0.0 0.891 59.5 125.8 37.2 48.5 5.2 25.8 -78.8 167 172 A D + 0 0 45 4,-0.1 -1,-0.1 177,-0.1 178,-0.1 0.223 29.6 126.8-117.8 17.3 3.8 22.4 -79.9 168 173 A S S > S- 0 0 0 178,-0.1 4,-2.0 176,-0.1 3,-0.2 -0.197 77.9-105.1 -64.9 162.2 5.7 20.2 -77.3 169 174 A K H > S+ 0 0 36 176,-0.6 4,-2.6 1,-0.2 5,-0.2 0.888 124.1 59.5 -56.2 -40.4 3.7 17.8 -75.1 170 175 A Y H > S+ 0 0 21 173,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.922 105.2 48.4 -52.5 -46.4 4.2 20.3 -72.3 171 176 A D H > S+ 0 0 10 172,-0.4 4,-0.9 -3,-0.2 -2,-0.2 0.909 110.4 50.7 -63.9 -40.6 2.4 23.0 -74.4 172 177 A R H <>S+ 0 0 13 -4,-2.0 5,-2.5 2,-0.2 6,-0.8 0.895 110.3 49.7 -62.6 -39.2 -0.5 20.6 -75.2 173 178 A V H ><5S+ 0 0 21 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.903 108.9 51.8 -63.8 -44.4 -0.8 19.8 -71.4 174 179 A M H 3<5S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.637 107.0 54.7 -70.9 -14.3 -0.9 23.5 -70.5 175 180 A R T 3<5S- 0 0 132 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.473 115.5-118.9 -91.0 -3.5 -3.6 24.0 -73.1 176 181 A G T < 5S+ 0 0 67 -3,-1.6 -3,-0.2 2,-0.3 -2,-0.1 0.641 85.9 116.2 76.8 14.6 -5.7 21.2 -71.4 177 182 A E S - 0 0 57 -2,-0.2 4,-3.2 1,-0.1 5,-0.4 -0.417 36.9-100.4 -60.8 149.1 1.8 10.9 -67.3 182 187 A P H > S+ 0 0 91 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.892 126.1 47.5 -32.1 -58.3 2.3 10.4 -63.6 183 188 A L H > S+ 0 0 77 2,-0.2 4,-3.1 1,-0.2 157,-0.3 0.923 113.1 48.3 -59.0 -46.5 6.1 10.4 -64.0 184 189 A E H > S+ 0 0 28 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.904 112.7 47.8 -57.2 -45.0 6.0 13.6 -66.2 185 190 A E H X S+ 0 0 24 -4,-3.2 4,-3.0 2,-0.2 -2,-0.2 0.915 111.4 50.1 -69.7 -36.8 3.7 15.3 -63.7 186 191 A F H X S+ 0 0 22 -4,-2.8 4,-3.2 -5,-0.4 5,-0.3 0.973 111.5 50.9 -58.4 -52.0 6.0 14.3 -60.8 187 192 A G H X S+ 0 0 0 -4,-3.1 4,-3.3 149,-0.3 -2,-0.2 0.905 110.5 46.5 -46.4 -53.8 8.8 15.7 -62.9 188 193 A Y H X S+ 0 0 5 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.956 113.0 50.1 -59.3 -52.1 7.0 19.0 -63.5 189 194 A T H X S+ 0 0 1 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.909 114.1 45.0 -45.8 -53.9 6.1 19.2 -59.7 190 195 A V H >X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 3,-1.1 0.950 111.9 52.9 -60.2 -47.9 9.8 18.5 -58.8 191 196 A F H 3< S+ 0 0 3 -4,-3.3 6,-1.0 -5,-0.3 -2,-0.2 0.891 114.3 41.1 -55.8 -43.4 11.0 21.0 -61.4 192 197 A I H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.459 121.1 41.3 -88.1 -1.6 8.7 23.8 -60.0 193 198 A T H << S+ 0 0 4 -3,-1.1 572,-0.5 -4,-0.8 -2,-0.2 0.662 107.8 62.7-110.9 -25.0 9.3 23.1 -56.3 194 199 A W S >< S- 0 0 18 -4,-2.7 3,-1.3 -5,-0.2 4,-0.2 -0.287 109.6 -78.8 -91.1 178.0 13.1 22.3 -56.3 195 200 A N G > S+ 0 0 19 1,-0.2 3,-1.9 2,-0.1 4,-0.4 0.637 114.4 82.4 -55.5 -19.5 15.8 24.8 -57.2 196 201 A C G >> S+ 0 0 21 1,-0.3 4,-3.0 -6,-0.2 3,-1.5 0.841 83.8 59.7 -52.7 -40.7 15.3 24.4 -61.0 197 202 A R G <4 S+ 0 0 13 -3,-1.3 -1,-0.3 -6,-1.0 -2,-0.1 0.562 93.0 70.3 -65.5 -10.0 12.3 26.8 -61.0 198 203 A L G <4 S+ 0 0 31 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.717 120.9 8.7 -83.3 -20.3 14.7 29.5 -59.7 199 204 A C T <4 S+ 0 0 19 -3,-1.5 16,-2.1 -4,-0.4 18,-0.3 0.604 122.7 61.9-126.8 -35.6 16.6 29.7 -63.0 200 205 A H S < S+ 0 0 16 -4,-3.0 2,-0.3 14,-0.3 14,-0.1 -0.120 89.6 79.2 -97.0 42.2 14.7 27.7 -65.6 201 206 A M S S- 0 0 12 -2,-0.3 10,-0.0 12,-0.2 62,-0.0 -0.984 74.6-133.2-137.9 145.9 11.5 29.7 -65.5 202 207 A Q S S+ 0 0 50 -2,-0.3 2,-0.3 13,-0.1 -1,-0.1 0.915 86.8 34.6 -53.2 -51.1 10.7 32.9 -67.2 203 208 A R - 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0 0 1 49,-0.2 -2,-0.3 -14,-0.1 -14,-0.3 -0.930 63.0-149.9-163.6 136.4 14.9 30.0 -68.7 215 220 A N - 0 0 3 -16,-2.1 -15,-0.1 -2,-0.3 3,-0.1 0.346 47.1-120.6 -89.6 5.7 14.9 33.3 -66.8 216 221 A F + 0 0 13 45,-0.4 -132,-2.4 -17,-0.2 2,-0.1 0.619 68.2 136.9 64.8 16.7 17.5 34.6 -69.3 217 222 A E B -E 83 0D 5 -18,-0.3 44,-2.7 -134,-0.2 2,-0.5 -0.292 56.0-114.8 -85.4 173.9 20.0 35.2 -66.4 218 223 A Y E +G 260 0F 4 -136,-0.7 2,-0.4 42,-0.2 42,-0.2 -0.958 37.4 169.0-112.2 129.1 23.6 34.5 -66.1 219 224 A H E -G 259 0F 14 40,-2.2 40,-2.4 -2,-0.5 2,-0.8 -0.996 33.8-141.5-139.2 137.2 24.9 31.9 -63.6 220 225 A N B -h 318 0G 6 97,-0.7 99,-1.8 -2,-0.4 38,-0.2 -0.922 19.6-178.2 -88.5 106.6 28.1 30.2 -62.9 221 226 A I - 0 0 26 -2,-0.8 -1,-0.1 36,-0.2 97,-0.1 0.366 50.4-107.8 -89.2 6.7 26.9 26.7 -62.0 222 227 A G + 0 0 1 35,-0.3 -2,-0.1 1,-0.2 36,-0.1 0.760 54.2 174.2 80.1 29.8 30.6 25.7 -61.3 223 228 A L - 0 0 12 89,-0.2 90,-3.1 1,-0.1 91,-0.5 -0.341 25.9-127.0 -68.4 145.3 31.3 23.4 -64.4 224 229 A P - 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0 0 24 -3,-1.8 3,-1.3 -4,-0.3 11,-0.2 -0.736 44.1-171.6 -97.3 108.5 26.3 27.9 45.1 371 21 B P G > S+ 0 0 55 0, 0.0 3,-1.9 0, 0.0 8,-0.6 0.659 76.5 84.1 -68.8 -14.4 30.1 28.1 44.7 372 22 B A G 3 S+ 0 0 31 1,-0.3 8,-0.1 5,-0.1 5,-0.1 0.560 77.3 72.2 -68.3 -0.8 30.6 25.1 47.0 373 23 B L G < S+ 0 0 2 -3,-1.3 2,-0.4 6,-0.2 -1,-0.3 0.243 87.6 75.5 -96.1 12.2 30.0 23.0 43.9 374 24 B S S X S- 0 0 0 -3,-1.9 3,-1.8 1,-0.1 91,-0.2 -0.939 91.0-115.1-119.4 151.2 33.4 24.0 42.6 375 25 B R T 3 S+ 0 0 125 89,-2.8 90,-0.1 -2,-0.4 -1,-0.1 0.888 116.1 29.7 -50.2 -55.7 36.7 22.6 43.8 376 26 B N T 3 S- 0 0 97 88,-0.3 -1,-0.3 -3,-0.1 -4,-0.1 0.224 110.9-119.3 -90.8 11.8 38.2 25.8 45.3 377 27 B A S < S+ 0 0 49 -3,-1.8 -5,-0.1 87,-0.2 -2,-0.1 0.776 84.1 113.9 59.8 28.2 34.7 27.0 46.0 378 28 B T + 0 0 86 86,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.593 64.5 60.6 -97.3 -12.5 35.1 30.1 43.8 379 29 B Q + 0 0 4 -8,-0.6 2,-0.3 85,-0.2 -6,-0.2 -0.946 46.7 169.8-136.5 129.0 32.6 29.2 41.2 380 30 B S >> - 0 0 10 -2,-0.4 3,-2.2 -8,-0.1 4,-0.9 -0.805 53.7 -98.5-118.1 167.5 28.9 28.5 40.8 381 31 B C H >> S+ 0 0 19 -14,-0.4 4,-3.8 -13,-0.3 3,-0.6 0.907 125.5 61.3 -47.6 -40.1 26.9 28.2 37.6 382 32 B A H 34 S+ 0 0 12 -14,-1.9 -1,-0.3 1,-0.2 -13,-0.1 0.618 90.2 68.5 -65.8 -14.3 25.9 31.7 38.2 383 33 B T H <4 S+ 0 0 33 -3,-2.2 12,-0.3 1,-0.1 3,-0.3 0.942 118.8 19.7 -69.9 -50.4 29.5 32.8 37.9 384 34 B C H << S+ 0 0 16 -4,-0.9 2,-1.1 -3,-0.6 -2,-0.2 0.815 129.8 48.9 -86.7 -38.0 29.6 32.0 34.3 385 35 B H S < S- 0 0 28 -4,-3.8 -1,-0.2 -5,-0.2 8,-0.2 -0.713 86.1-171.5-101.1 78.7 25.9 32.1 33.6 386 36 B D B > > -L 392 0K 44 6,-1.8 3,-2.1 -2,-1.1 5,-2.1 -0.624 21.8-149.6 -83.6 116.4 25.3 35.4 35.4 387 37 B P G > 5S+ 0 0 41 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.768 98.4 58.5 -54.9 -27.9 21.7 36.3 35.8 388 38 B A G 3 5S+ 0 0 71 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.714 110.6 45.4 -75.3 -16.1 22.5 40.0 35.6 389 39 B R G < 5S- 0 0 48 -3,-2.1 -1,-0.2 3,-0.3 3,-0.2 -0.144 129.2 -89.0-116.4 41.5 23.9 39.3 32.1 390 40 B A T < 5S- 0 0 0 -3,-0.9 31,-0.6 1,-0.2 30,-0.3 0.849 86.1 -59.4 53.8 39.7 21.2 37.1 30.6 391 41 B F S -M 400 0L 23 3,-1.6 3,-1.8 -2,-0.2 5,-0.1 -0.728 56.8 -69.4-134.2-171.5 39.8 36.3 30.7 398 48 B K T 3 S+ 0 0 141 1,-0.3 3,-0.1 -2,-0.2 189,-0.1 0.665 135.8 42.9 -59.9 -21.8 43.0 36.0 28.5 399 49 B A T > S- 0 0 12 1,-0.5 3,-1.5 4,-0.2 -1,-0.3 -0.085 112.9-116.5-115.7 39.6 40.7 36.2 25.5 400 50 B G B < S-M 397 0L 26 -3,-1.8 -3,-1.6 1,-0.2 -1,-0.5 -0.522 77.3 -30.0 65.1-133.1 38.4 39.0 26.6 401 51 B L T 3 S+ 0 0 38 -2,-0.2 16,-0.3 -5,-0.2 -1,-0.2 0.289 115.2 100.2 -94.7 5.5 34.8 37.7 27.0 402 52 B A S < S+ 0 0 5 -3,-1.5 2,-0.3 14,-0.1 -1,-0.2 0.897 92.9 11.3 -57.4 -46.5 35.3 35.1 24.2 403 53 B V S S- 0 0 1 -3,-0.3 2,-0.3 13,-0.2 -4,-0.2 -0.913 78.9-116.8-139.0 160.5 35.8 32.3 26.7 404 54 B S - 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