==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-AUG-98 1TMO . COMPND 2 MOLECULE: TRIMETHYLAMINE N-OXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA MASSILIA; . AUTHOR M.CZJZEK,J.P.DOS SANTOS,G.GIORDANO,V.MEJEAN . 794 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 1 0.1 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 . 41 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 5 3 4 3 3 1 1 1 0 1 3 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 4 2 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 . 5 3 3 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 1 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 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 N 0 0 123 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.2 41.1 78.3 25.4 2 6 A E + 0 0 150 18,-0.0 2,-0.2 16,-0.0 18,-0.1 -0.908 360.0 150.2-103.4 118.1 37.9 77.2 23.5 3 7 A D - 0 0 47 -2,-0.6 2,-0.1 16,-0.1 17,-0.0 -0.728 48.3 -67.6-135.2-177.3 38.5 76.2 19.9 4 8 A E - 0 0 147 -2,-0.2 15,-0.3 1,-0.1 2,-0.1 -0.476 54.9-109.3 -74.7 147.3 37.2 74.0 17.1 5 9 A W - 0 0 69 -2,-0.1 2,-0.3 13,-0.1 13,-0.2 -0.433 29.9-143.8 -76.8 150.6 37.7 70.2 17.5 6 10 A L E -A 17 0A 27 11,-2.6 11,-2.0 -2,-0.1 2,-0.3 -0.829 11.9-119.6-114.6 159.5 40.2 68.4 15.3 7 11 A T E +A 16 0A 7 -2,-0.3 497,-2.0 9,-0.2 2,-0.3 -0.704 40.7 137.2-102.6 146.9 40.0 64.8 13.8 8 12 A T E -A 15 0A 0 7,-1.4 7,-2.0 -2,-0.3 2,-0.3 -0.953 24.1-153.7-166.5-178.8 42.3 61.8 14.3 9 13 A G E +A 14 0A 0 5,-0.3 2,-0.3 -2,-0.3 5,-0.3 -0.989 9.3 175.4-164.0 165.8 42.3 58.0 14.8 10 14 A S E > -A 13 0A 6 3,-2.1 3,-1.6 -2,-0.3 187,-0.8 -0.896 55.7 -72.9-159.6-176.0 44.1 55.0 16.3 11 15 A H T 3 S+ 0 0 5 1,-0.3 182,-1.6 -2,-0.3 3,-0.1 0.606 128.5 55.3 -65.3 -13.6 43.9 51.3 16.9 12 16 A F T 3 S- 0 0 9 1,-0.4 25,-0.4 180,-0.2 -1,-0.3 0.458 123.4 -77.4 -97.5 -7.1 41.4 52.0 19.6 13 17 A G E < -A 10 0A 0 -3,-1.6 -3,-2.1 180,-0.1 -1,-0.4 -0.799 57.0 -55.6 137.3 179.9 39.0 54.0 17.4 14 18 A A E -A 9 0A 0 183,-0.4 16,-1.5 -5,-0.3 -5,-0.3 -0.794 56.8-165.5 -96.5 142.4 38.5 57.4 15.7 15 19 A F E -AB 8 29A 7 -7,-2.0 -7,-1.4 -2,-0.4 2,-0.4 -0.710 24.9-144.5-126.1 178.0 38.5 60.5 17.9 16 20 A K E -AB 7 28A 38 12,-2.2 12,-2.6 -2,-0.2 2,-0.3 -0.994 29.1-177.3-139.5 127.2 37.7 64.2 18.3 17 21 A M E -AB 6 27A 2 -11,-2.0 -11,-2.6 -2,-0.4 2,-0.3 -0.953 15.5-159.3-133.9 156.6 40.1 66.4 20.3 18 22 A K E - B 0 26A 18 8,-1.4 7,-2.0 -2,-0.3 8,-1.2 -0.972 15.8-135.3-133.2 146.8 40.4 70.0 21.5 19 23 A R E + B 0 24A 80 -2,-0.3 2,-0.3 -15,-0.3 5,-0.2 -0.806 23.9 165.0-108.8 146.1 43.5 72.0 22.8 20 24 A K E > + B 0 23A 70 3,-2.9 3,-1.6 -2,-0.3 -18,-0.0 -0.970 65.4 7.5-158.3 139.8 44.1 74.3 25.7 21 25 A N T 3 S- 0 0 147 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.842 128.4 -61.6 57.7 33.9 47.0 75.9 27.6 22 26 A G T 3 S+ 0 0 70 1,-0.2 2,-0.3 485,-0.0 -1,-0.3 0.569 121.2 88.9 71.7 10.2 49.3 74.4 24.8 23 27 A V E < S-B 20 0A 64 -3,-1.6 -3,-2.9 484,-0.1 2,-0.6 -0.890 92.3 -81.4-134.6 162.5 48.3 70.8 25.7 24 28 A I E -B 19 0A 3 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.557 41.9-171.1 -66.8 110.7 45.5 68.3 24.6 25 29 A A E - 0 0 25 -7,-2.0 2,-0.3 -2,-0.6 -6,-0.2 0.859 55.5 -15.8 -74.5 -42.0 42.5 69.3 26.8 26 30 A E E -B 18 0A 88 -8,-1.2 -8,-1.4 2,-0.0 2,-0.4 -0.974 48.8-133.1-168.1 154.2 40.1 66.4 26.1 27 31 A V E -B 17 0A 30 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.888 21.4-179.8-112.6 138.8 39.1 63.4 23.9 28 32 A K E -B 16 0A 83 -12,-2.6 -12,-2.2 -2,-0.4 3,-0.1 -0.958 33.8-101.0-135.9 147.2 35.6 62.7 22.6 29 33 A P E -B 15 0A 46 0, 0.0 -14,-0.2 0, 0.0 2,-0.1 -0.334 44.4 -96.6 -67.0 153.5 34.4 59.8 20.4 30 34 A F > - 0 0 12 -16,-1.5 3,-1.7 1,-0.1 -14,-0.1 -0.454 38.7-112.3 -69.1 146.3 33.9 60.2 16.7 31 35 A D T 3 S+ 0 0 92 1,-0.3 -1,-0.1 -2,-0.1 -15,-0.0 0.791 111.8 50.4 -50.3 -43.1 30.2 61.0 15.9 32 36 A L T 3 S+ 0 0 98 2,-0.0 2,-0.8 1,-0.0 -1,-0.3 0.497 88.8 94.8 -77.4 -5.9 29.4 57.7 14.0 33 37 A D < + 0 0 12 -3,-1.7 166,-0.1 1,-0.1 165,-0.0 -0.798 42.6 170.9 -92.8 111.5 30.8 55.5 16.7 34 38 A K S S+ 0 0 157 -2,-0.8 -1,-0.1 164,-0.2 165,-0.1 0.572 71.9 46.5 -96.2 -9.4 28.0 54.3 19.1 35 39 A Y S S+ 0 0 101 163,-0.3 -1,-0.2 2,-0.0 167,-0.1 -0.660 72.9 174.7-133.0 76.2 30.0 51.8 21.1 36 40 A P - 0 0 64 0, 0.0 2,-0.2 0, 0.0 -23,-0.1 -0.374 31.6-106.2 -79.6 164.3 33.4 53.1 22.1 37 41 A T > - 0 0 11 -25,-0.4 3,-1.3 154,-0.2 4,-0.1 -0.556 17.3-123.9 -89.0 153.6 35.9 51.3 24.4 38 42 A D G > S+ 0 0 77 1,-0.3 3,-2.2 -2,-0.2 -1,-0.1 0.818 103.7 79.5 -63.1 -28.6 36.6 52.2 28.1 39 43 A M G >> + 0 0 4 1,-0.3 3,-1.8 610,-0.2 4,-0.5 0.526 66.3 88.9 -60.5 -2.6 40.3 52.6 27.1 40 44 A I G <4 S+ 0 0 31 -3,-1.3 3,-0.5 1,-0.3 4,-0.4 0.760 78.4 65.3 -66.3 -20.3 39.4 56.0 25.7 41 45 A N G <4 S+ 0 0 107 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.473 99.1 51.9 -79.5 -4.5 40.2 57.2 29.3 42 46 A G T X> S+ 0 0 0 -3,-1.8 4,-0.8 -4,-0.1 3,-0.6 0.560 80.4 92.2-108.6 -10.2 43.9 56.3 28.9 43 47 A I H >X S+ 0 0 2 -4,-0.5 3,-1.6 -3,-0.5 4,-0.6 0.909 83.7 51.4 -49.9 -57.4 44.8 58.1 25.6 44 48 A R H >> S+ 0 0 132 -4,-0.4 4,-1.9 1,-0.3 3,-0.8 0.819 105.3 57.9 -54.5 -32.9 46.1 61.3 27.1 45 49 A G H <4 S+ 0 0 5 -3,-0.6 615,-0.3 1,-0.2 -1,-0.3 0.721 94.2 66.2 -71.7 -21.0 48.4 59.4 29.5 46 50 A M H << S+ 0 0 27 -3,-1.6 -1,-0.2 -4,-0.8 3,-0.2 0.732 110.1 35.9 -71.1 -25.6 50.1 57.7 26.6 47 51 A V H << S+ 0 0 2 -3,-0.8 2,-0.8 -4,-0.6 -2,-0.2 0.802 120.0 46.1 -96.0 -39.3 51.6 61.1 25.4 48 52 A Y S < S+ 0 0 74 -4,-1.9 -1,-0.2 4,-0.0 0, 0.0 -0.845 86.7 126.5-108.1 93.7 52.2 62.7 28.8 49 53 A N > - 0 0 21 -2,-0.8 3,-0.9 -3,-0.2 610,-0.1 -0.968 67.2-114.1-146.8 161.7 53.9 60.1 30.9 50 54 A P T 3 S+ 0 0 67 0, 0.0 609,-0.1 0, 0.0 -2,-0.0 0.540 106.9 63.9 -70.8 -14.8 57.1 59.3 33.1 51 55 A S T 3 S+ 0 0 3 607,-0.2 416,-2.8 737,-0.1 736,-0.1 0.180 73.9 137.6 -97.1 17.4 58.6 56.7 30.7 52 56 A R B < -C 466 0B 6 -3,-0.9 2,-0.9 414,-0.2 414,-0.2 -0.316 58.1-123.6 -64.9 142.4 59.1 59.1 27.8 53 57 A V - 0 0 1 412,-1.8 459,-0.1 427,-0.2 460,-0.1 -0.799 29.2-176.8 -89.5 107.9 62.4 59.0 25.8 54 58 A R - 0 0 102 -2,-0.9 458,-2.2 1,-0.2 -1,-0.2 0.868 57.1 -17.2 -72.2 -44.2 63.8 62.5 26.1 55 59 A Y S S- 0 0 30 456,-0.1 -1,-0.2 457,-0.1 28,-0.1 -0.954 83.2 -66.3-157.8 168.3 66.9 62.3 23.9 56 60 A P - 0 0 1 0, 0.0 26,-1.9 0, 0.0 2,-0.3 -0.403 54.1-179.2 -64.8 140.3 69.4 59.8 22.2 57 61 A M E -DE 81 477C 3 420,-1.4 420,-2.2 24,-0.2 2,-0.4 -0.964 18.0-152.7-141.2 155.8 71.5 57.8 24.6 58 62 A V E -DE 80 476C 1 22,-2.6 22,-2.9 -2,-0.3 418,-0.2 -0.987 32.6-102.1-131.5 140.4 74.2 55.2 24.4 59 63 A R E > -D 79 0C 7 416,-2.5 4,-2.3 -2,-0.4 3,-0.4 -0.393 37.3-117.0 -61.8 136.1 75.0 52.5 27.0 60 64 A L H > S+ 0 0 28 18,-1.7 4,-1.7 1,-0.2 3,-0.3 0.856 106.3 35.8 -40.6 -71.6 78.1 53.3 29.2 61 65 A D H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.798 115.6 56.8 -62.0 -26.8 80.7 50.6 28.4 62 66 A F H > S+ 0 0 5 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.913 105.8 50.5 -70.0 -39.0 79.6 50.5 24.7 63 67 A L H < S+ 0 0 54 -4,-2.3 -2,-0.2 -3,-0.3 -1,-0.2 0.886 117.9 40.0 -63.0 -40.4 80.3 54.2 24.3 64 68 A L H < S+ 0 0 100 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.839 132.5 19.7 -78.0 -37.0 83.7 53.7 25.9 65 69 A K H >< S- 0 0 114 -4,-2.7 3,-1.5 1,-0.2 -3,-0.2 0.425 82.8-155.9-120.4 2.2 84.7 50.4 24.2 66 70 A G G >< S- 0 0 26 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 -0.162 72.7 -7.0 57.4-146.8 82.6 49.8 21.1 67 71 A H G 3 S+ 0 0 33 1,-0.3 -1,-0.2 3,-0.0 -5,-0.1 0.480 131.1 64.3 -61.5 -3.2 82.1 46.2 19.9 68 72 A K G < S+ 0 0 189 -3,-1.5 -1,-0.3 -6,-0.1 -2,-0.2 0.021 79.7 127.8-108.0 23.1 84.7 45.0 22.5 69 73 A S S < S- 0 0 18 -3,-1.5 2,-1.1 389,-0.2 -7,-0.1 -0.222 73.5 -91.3 -77.7 169.6 82.6 46.0 25.5 70 74 A N > - 0 0 68 1,-0.2 3,-1.5 2,-0.0 -9,-0.1 -0.700 37.4-172.1 -83.4 97.5 81.5 43.9 28.6 71 75 A T G > S+ 0 0 25 -2,-1.1 3,-1.6 1,-0.3 -1,-0.2 0.683 72.8 80.3 -66.7 -17.4 78.1 42.5 27.4 72 76 A H G 3 S+ 0 0 124 1,-0.3 -1,-0.3 383,-0.1 383,-0.1 0.683 83.2 67.2 -63.1 -16.4 77.3 41.1 30.9 73 77 A Q G X + 0 0 59 -3,-1.5 3,-1.8 2,-0.1 -1,-0.3 0.534 66.1 120.3 -83.2 -10.2 76.2 44.6 31.9 74 78 A R T < S+ 0 0 15 -3,-1.6 399,-0.2 1,-0.2 398,-0.1 -0.375 71.3 35.7 -59.8 126.7 73.1 44.9 29.7 75 79 A G T 3 S+ 0 0 1 397,-0.8 -1,-0.2 399,-0.2 661,-0.2 0.213 82.0 102.4 115.0 -12.3 70.1 45.5 32.0 76 80 A D S < S- 0 0 16 -3,-1.8 -2,-0.1 660,-0.1 660,-0.1 0.584 82.6-130.4 -77.8 -11.1 71.6 47.6 34.7 77 81 A F + 0 0 4 395,-0.5 713,-2.2 1,-0.2 2,-0.7 0.486 54.4 142.7 77.2 11.8 70.1 50.8 33.1 78 82 A R E + f 0 790C 67 711,-0.2 -18,-1.7 394,-0.1 2,-0.3 -0.733 21.2 164.9 -93.8 116.0 73.1 53.1 33.0 79 83 A F E -Df 59 791C 4 711,-1.9 713,-2.6 -2,-0.7 2,-0.4 -0.866 29.4-140.1-127.2 159.0 73.2 55.4 29.9 80 84 A V E -D 58 0C 7 -22,-2.9 -22,-2.6 -2,-0.3 2,-0.2 -0.956 25.5-123.2-119.6 134.3 75.1 58.5 28.6 81 85 A R E +D 57 0C 130 -2,-0.4 2,-0.3 711,-0.4 -24,-0.2 -0.493 33.6 175.0 -76.6 147.3 73.3 61.3 26.6 82 86 A V - 0 0 23 -26,-1.9 2,-0.1 -2,-0.2 3,-0.0 -0.897 31.5 -96.7-144.4 168.9 74.6 62.2 23.1 83 87 A T > - 0 0 66 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.376 38.1-108.5 -83.4 170.2 73.7 64.5 20.1 84 88 A W H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.936 117.0 50.7 -64.7 -45.5 71.8 63.3 17.1 85 89 A D H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.917 111.9 46.6 -59.5 -45.7 74.8 63.5 14.7 86 90 A K H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 113.0 50.0 -62.2 -44.8 77.1 61.6 17.1 87 91 A A H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.883 113.3 45.9 -62.7 -38.7 74.4 58.9 17.6 88 92 A L H X S+ 0 0 11 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.848 109.6 53.8 -73.9 -34.1 73.9 58.6 13.9 89 93 A T H X S+ 0 0 62 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.919 111.4 46.4 -65.4 -42.2 77.6 58.4 13.1 90 94 A L H X S+ 0 0 54 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.929 109.6 54.2 -64.9 -46.5 78.0 55.5 15.6 91 95 A F H >X S+ 0 0 2 -4,-1.9 4,-1.3 1,-0.2 3,-0.5 0.959 111.6 44.2 -51.8 -57.1 75.0 53.7 14.2 92 96 A K H >X S+ 0 0 32 -4,-2.2 4,-1.9 1,-0.2 3,-0.7 0.907 108.0 57.1 -56.4 -50.0 76.4 53.7 10.7 93 97 A H H 3X S+ 0 0 105 -4,-2.3 4,-2.4 1,-0.3 -1,-0.2 0.856 105.3 53.9 -50.8 -37.4 79.9 52.8 11.7 94 98 A S H S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 5,-2.1 0.894 110.2 50.2 -70.5 -42.3 79.4 43.9 10.5 99 103 A Q H <5S+ 0 0 15 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.860 117.8 43.6 -63.4 -34.9 79.0 43.9 6.7 100 104 A T H <5S+ 0 0 94 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.963 121.3 34.3 -72.7 -59.0 82.8 43.8 6.4 101 105 A Q H <5S+ 0 0 128 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.845 140.7 6.3 -69.2 -35.6 83.8 41.3 9.1 102 106 A Y T <5S- 0 0 74 -4,-2.4 3,-0.3 -5,-0.3 -3,-0.2 0.750 87.6-142.4-120.6 -39.3 80.7 39.0 8.7 103 107 A G > < - 0 0 10 -5,-2.1 3,-1.7 1,-0.2 -3,-0.1 -0.435 52.5 -34.5 102.1-174.4 78.4 39.8 5.8 104 108 A P G > S+ 0 0 2 0, 0.0 3,-1.2 0, 0.0 34,-0.3 0.749 126.9 63.3 -56.5 -30.9 74.6 39.7 5.3 105 109 A S G 3 S+ 0 0 9 289,-0.6 -2,-0.1 -3,-0.3 290,-0.1 0.576 94.2 64.2 -74.4 -6.3 74.0 36.6 7.5 106 110 A G G < S+ 0 0 0 -3,-1.7 325,-1.9 324,-0.2 326,-1.7 0.329 93.0 69.3 -99.7 8.7 75.3 38.5 10.6 107 111 A L E < -g 432 0C 2 -3,-1.2 31,-2.7 324,-0.2 2,-0.5 -0.991 57.5-168.8-130.2 129.1 72.6 41.1 10.7 108 112 A H E +gh 433 138C 3 324,-2.1 326,-1.8 -2,-0.4 3,-0.1 -0.922 24.2 147.7-121.2 109.9 68.9 40.5 11.6 109 113 A A + 0 0 0 29,-0.8 30,-0.1 -2,-0.5 -1,-0.1 -0.161 43.9 93.0-131.7 41.6 66.5 43.4 10.8 110 114 A G + 0 0 0 28,-0.3 30,-0.3 29,-0.1 2,-0.2 0.384 43.2 124.2-119.6 9.2 63.2 41.8 10.0 111 115 A Q - 0 0 7 323,-0.4 325,-0.4 -3,-0.1 2,-0.3 -0.468 38.2-168.6 -72.4 139.3 61.0 41.5 13.1 112 116 A T + 0 0 52 -2,-0.2 2,-0.2 323,-0.1 325,-0.1 -0.827 14.5 148.8-125.8 164.2 57.5 43.1 13.0 113 117 A G - 0 0 23 -2,-0.3 2,-1.9 324,-0.2 325,-0.2 -0.870 56.4 -34.0-167.1-161.7 54.8 43.9 15.5 114 118 A W + 0 0 58 -2,-0.2 323,-0.1 538,-0.0 324,-0.1 -0.430 60.9 174.2 -79.4 70.5 51.9 46.3 16.4 115 119 A R - 0 0 48 -2,-1.9 3,-0.1 1,-0.1 7,-0.1 -0.308 40.9 -88.1 -69.6 159.3 53.1 49.6 15.1 116 120 A A - 0 0 41 1,-0.1 7,-0.2 5,-0.1 -1,-0.1 -0.275 51.6 -89.1 -68.8 155.1 50.7 52.6 15.3 117 121 A T S S+ 0 0 4 -3,-0.1 -1,-0.1 5,-0.1 2,-0.1 -0.211 70.2 111.2 -63.5 152.9 48.3 53.3 12.5 118 122 A G > - 0 0 1 -3,-0.1 4,-0.8 2,-0.1 372,-0.2 -0.152 52.5-140.4 143.5 125.9 49.3 55.6 9.6 119 123 A Q T 4 S+ 0 0 33 370,-2.2 259,-1.8 2,-0.1 371,-0.1 0.750 102.3 32.9 -77.2 -28.1 50.0 55.2 5.9 120 124 A L T 4 S+ 0 0 0 369,-0.3 -1,-0.1 257,-0.2 368,-0.1 0.836 121.5 42.0 -95.7 -40.9 53.0 57.6 5.7 121 125 A H T 4 + 0 0 2 -4,-0.1 5,-0.2 366,-0.0 395,-0.1 0.546 67.6 147.4 -89.4 -4.4 54.7 57.3 9.1 122 126 A S X - 0 0 17 -4,-0.8 4,-1.0 1,-0.1 3,-0.5 0.003 40.9-146.9 -36.2 109.4 54.6 53.5 9.6 123 127 A S H >> S+ 0 0 17 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.837 86.3 52.3 -55.4 -49.7 57.8 52.9 11.6 124 128 A T H 3> S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.855 106.7 56.7 -61.1 -32.5 59.1 49.5 10.5 125 129 A S H 3> S+ 0 0 17 -3,-0.5 4,-1.3 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187 A S S S+ 0 0 26 39,-1.6 142,-0.4 -2,-0.7 2,-0.4 0.948 109.1 130.9 56.5 54.5 38.1 29.1 22.8 184 188 A N + 0 0 5 -3,-0.3 -1,-0.2 139,-0.2 43,-0.1 -0.971 36.5 173.3-146.7 125.7 36.6 32.5 21.8 185 189 A D >> + 0 0 16 -2,-0.4 4,-2.0 1,-0.1 3,-1.0 -0.561 15.1 161.7-128.8 69.3 36.0 35.8 23.7 186 190 A P H 3> + 0 0 14 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.703 66.3 68.6 -62.7 -25.0 34.8 38.3 21.0 187 191 A Y H 34 S+ 0 0 57 2,-0.2 4,-0.1 1,-0.1 -2,-0.0 0.875 112.7 30.5 -64.9 -35.3 33.2 40.8 23.5 188 192 A K H X4 S+ 0 0 13 -3,-1.0 3,-1.3 1,-0.1 -1,-0.1 0.903 120.1 50.9 -87.5 -44.7 36.7 41.7 24.9 189 193 A N H 3< S+ 0 0 54 -4,-2.0 3,-0.5 1,-0.2 174,-0.3 0.448 95.3 70.6 -78.0 1.4 38.8 41.2 21.8 190 194 A L T 3< S+ 0 0 1 -4,-1.0 -1,-0.2 1,-0.2 9,-0.1 0.507 72.2 90.7 -94.3 -4.9 36.7 43.3 19.4 191 195 A Q S < S+ 0 0 21 -3,-1.3 2,-0.3 -5,-0.1 -1,-0.2 0.582 88.2 45.2 -66.5 -14.1 37.8 46.5 21.2 192 196 A V - 0 0 30 -3,-0.5 171,-0.6 4,-0.1 2,-0.3 -0.886 63.9-169.6-129.6 163.2 40.8 47.0 18.8 193 197 A G - 0 0 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S+ 0 0 25 -3,-1.8 4,-1.5 -4,-0.3 -1,-0.2 0.873 107.8 45.5 -72.7 -35.7 25.6 46.5 17.3 204 208 A Y H S+ 0 0 53 -4,-1.7 5,-2.0 1,-0.2 6,-1.3 0.816 109.0 53.6 -54.1 -36.9 17.9 36.5 20.7 212 216 A V H <5S+ 0 0 27 -4,-2.1 3,-0.3 3,-0.2 -1,-0.2 0.932 111.4 44.9 -66.0 -44.7 19.4 34.7 23.7 213 217 A K H <5S+ 0 0 175 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.936 110.8 51.8 -65.6 -48.2 16.9 36.3 26.1 214 218 A Q H <5S- 0 0 104 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.697 112.7-121.6 -62.3 -18.0 13.9 35.6 23.9 215 219 A G T <5S+ 0 0 64 -4,-0.8 -3,-0.2 -3,-0.3 -2,-0.1 0.723 80.3 117.9 82.3 24.4 15.0 32.0 23.7 216 220 A K S - 0 0 11 -2,-0.6 4,-1.6 -43,-0.1 5,-0.1 -0.425 23.5-115.4 -92.9 165.6 34.5 34.6 29.9 228 232 A K H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.871 116.5 54.2 -61.2 -39.7 33.5 38.3 29.6 229 233 A T H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.881 104.6 52.5 -62.7 -43.7 31.2 37.3 26.6 230 234 A Q H >>S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 5,-1.0 0.867 110.2 50.0 -61.3 -38.0 29.3 34.6 28.7 231 235 A A H <5S+ 0 0 80 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.916 111.9 47.1 -68.3 -42.2 28.7 37.2 31.4 232 236 A Y H <5S+ 0 0 56 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.873 120.9 35.8 -66.5 -43.3 27.4 39.8 28.9 233 237 A L H <5S- 0 0 15 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.762 97.8-132.7 -81.8 -30.4 25.0 37.4 27.1 234 238 A G T <5 + 0 0 61 -4,-2.0 -3,-0.2 -5,-0.3 2,-0.1 0.918 55.6 145.5 75.4 41.7 24.0 35.3 30.1 235 239 A C < - 0 0 23 -5,-1.0 -15,-0.1 -6,-0.2 -1,-0.1 -0.353 46.6 -85.8-102.2-174.7 24.6 32.0 28.2 236 240 A E E -n 220 0E 85 -17,-1.2 -15,-1.6 -2,-0.1 2,-0.3 -0.406 29.8-145.0 -92.6 171.0 25.9 28.6 29.3 237 241 A Q E -n 221 0E 68 -17,-0.2 2,-0.5 -2,-0.1 -15,-0.2 -0.984 6.5-157.7-137.0 146.3 29.4 27.0 29.7 238 242 A L E -n 222 0E 34 -17,-2.2 -15,-0.8 -2,-0.3 2,-0.1 -0.942 24.1-139.2-125.5 105.8 30.9 23.5 29.1 239 243 A Y + 0 0 69 -2,-0.5 2,-0.3 -17,-0.2 -17,-0.0 -0.339 23.2 177.8 -65.5 142.5 34.2 22.9 31.1 240 244 A V - 0 0 0 -17,-0.1 60,-0.2 -2,-0.1 3,-0.1 -0.993 36.0-106.6-145.4 136.8 37.1 21.1 29.5 241 245 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