==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-AUG-13 4C3S . COMPND 2 MOLECULE: ALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PHYTOFERMENTANS; . AUTHOR J.MARLES-WRIGHT,A.CRAWSHAW,T.F.ANG,K.ALTENBACH . 435 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.1 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 . 2 0.5 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 . 31 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 0 2 0 1 0 2 2 1 3 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 5 2 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 . 0 2 0 0 1 0 0 0 1 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 0 1 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 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 28 A E > 0 0 120 0, 0.0 3,-2.2 0, 0.0 166,-0.0 0.000 360.0 360.0 360.0 131.5 -16.0 23.8 31.9 2 29 A L T 3 + 0 0 66 1,-0.3 148,-0.2 162,-0.1 149,-0.1 -0.255 360.0 4.5 -59.2 131.7 -12.8 22.9 30.1 3 30 A G T 3 S+ 0 0 4 1,-0.2 162,-2.4 147,-0.1 2,-0.4 0.346 107.6 113.9 75.1 -3.4 -13.0 23.3 26.3 4 31 A V E < -a 165 0A 17 -3,-2.2 2,-0.3 160,-0.2 162,-0.2 -0.853 45.1-171.7-110.5 134.2 -16.6 24.7 26.7 5 32 A F E -a 166 0A 41 160,-2.4 162,-2.4 -2,-0.4 163,-0.3 -0.802 34.3-120.6-127.5 161.4 -17.5 28.2 25.8 6 33 A D S S+ 0 0 111 -2,-0.3 2,-0.3 160,-0.2 162,-0.2 0.731 96.1 17.4 -74.8 -23.6 -20.4 30.6 26.1 7 34 A D S > S- 0 0 68 158,-0.1 4,-1.7 1,-0.1 3,-0.3 -0.985 76.9-112.2-150.1 163.7 -20.6 31.1 22.4 8 35 A M H > S+ 0 0 1 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.749 111.1 57.3 -70.5 -28.9 -19.5 29.6 19.1 9 36 A N H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 108.2 48.2 -68.6 -41.4 -17.1 32.4 18.1 10 37 A Q H > S+ 0 0 92 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.906 110.9 51.6 -59.2 -45.3 -15.2 32.0 21.3 11 38 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.921 112.0 45.4 -59.0 -46.8 -15.0 28.2 20.8 12 39 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.910 111.5 52.0 -67.3 -41.4 -13.7 28.5 17.3 13 40 A E H X S+ 0 0 85 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.920 111.0 48.4 -61.1 -41.3 -11.1 31.1 18.2 14 41 A A H X S+ 0 0 7 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.926 112.2 48.0 -64.6 -45.4 -9.9 28.9 21.0 15 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.860 108.4 55.3 -61.0 -37.2 -9.7 25.9 18.7 16 43 A K H X S+ 0 0 78 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.925 108.0 48.8 -66.2 -44.0 -7.8 28.0 16.1 17 44 A E H >X S+ 0 0 117 -4,-2.1 4,-0.6 1,-0.2 3,-0.6 0.921 111.9 48.8 -57.5 -47.5 -5.1 29.0 18.6 18 45 A A H >X S+ 0 0 6 -4,-2.0 4,-2.3 143,-0.2 3,-1.2 0.878 104.3 59.8 -64.1 -36.2 -4.7 25.4 19.7 19 46 A Q H 3X S+ 0 0 20 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.789 92.6 65.2 -67.8 -25.7 -4.4 24.2 16.1 20 47 A L H << S+ 0 0 92 -4,-1.1 -1,-0.3 -3,-0.6 4,-0.2 0.776 111.7 38.2 -63.9 -27.2 -1.3 26.4 15.4 21 48 A V H XX S+ 0 0 74 -3,-1.2 3,-1.2 -4,-0.6 4,-0.7 0.859 113.0 54.0 -83.9 -47.4 0.4 24.2 18.0 22 49 A V H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.891 102.3 59.2 -56.4 -39.3 -1.1 20.8 17.1 23 50 A K T 3< S+ 0 0 91 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.763 110.2 42.9 -64.9 -23.3 -0.0 21.2 13.4 24 51 A K T <4 S+ 0 0 167 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.436 90.2 110.6-100.3 -2.1 3.6 21.5 14.5 25 52 A M S << S- 0 0 17 -3,-1.1 2,-0.0 -4,-0.7 -3,-0.0 -0.430 72.6-113.9 -69.4 145.2 3.5 18.7 17.1 26 53 A S > - 0 0 52 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.310 25.7-111.4 -65.9 164.1 5.3 15.5 16.3 27 54 A M H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.892 122.8 55.4 -63.3 -38.2 3.4 12.3 15.7 28 55 A D H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.906 107.9 48.6 -62.5 -37.7 4.8 11.0 19.0 29 56 A Q H > S+ 0 0 101 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.920 113.7 44.8 -68.8 -45.9 3.5 14.2 20.7 30 57 A R H X S+ 0 0 23 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.912 112.3 53.9 -58.8 -43.0 -0.0 13.8 19.2 31 58 A E H X S+ 0 0 54 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.833 102.9 55.8 -67.2 -31.0 0.1 10.1 20.0 32 59 A K H X S+ 0 0 109 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.907 111.8 44.0 -65.4 -38.6 0.9 10.8 23.7 33 60 A I H X S+ 0 0 4 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.932 113.6 50.3 -69.5 -45.3 -2.3 12.9 23.9 34 61 A I H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.910 108.8 52.9 -58.9 -42.3 -4.3 10.3 22.0 35 62 A S H X S+ 0 0 68 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.910 108.9 49.0 -61.3 -41.7 -3.0 7.7 24.3 36 63 A A H X S+ 0 0 15 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.913 109.9 51.9 -66.2 -38.1 -4.2 9.7 27.3 37 64 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.914 110.2 49.1 -61.7 -43.8 -7.6 10.2 25.7 38 65 A R H X S+ 0 0 40 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.939 112.1 49.1 -60.8 -47.2 -7.9 6.4 25.1 39 66 A K H X S+ 0 0 128 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.913 112.9 45.1 -58.6 -47.3 -7.0 5.8 28.7 40 67 A K H X S+ 0 0 32 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.811 108.5 58.1 -72.7 -27.4 -9.4 8.3 30.2 41 68 A T H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 4,-0.2 0.938 111.0 42.2 -63.7 -45.6 -12.2 7.0 27.9 42 69 A I H >< S+ 0 0 75 -4,-2.1 3,-1.3 1,-0.2 4,-0.4 0.948 113.9 52.5 -63.5 -46.3 -11.8 3.5 29.4 43 70 A E H 3< S+ 0 0 114 -4,-2.5 3,-0.2 1,-0.3 -2,-0.2 0.830 120.9 32.3 -60.0 -32.6 -11.4 4.9 32.9 44 71 A H T 3X S+ 0 0 46 -4,-2.1 4,-2.8 1,-0.1 -1,-0.3 0.149 83.6 111.7-113.6 20.6 -14.7 6.9 32.6 45 72 A A H <> S+ 0 0 2 -3,-1.3 4,-2.5 1,-0.2 5,-0.2 0.878 79.0 50.7 -62.4 -39.4 -16.6 4.6 30.3 46 73 A E H > S+ 0 0 131 -4,-0.4 4,-2.6 -3,-0.2 -1,-0.2 0.918 112.0 47.0 -66.0 -44.3 -19.1 3.7 33.1 47 74 A T H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.936 113.7 47.4 -62.7 -46.4 -19.7 7.4 33.9 48 75 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.917 113.0 49.8 -62.6 -41.3 -20.2 8.3 30.2 49 76 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.942 114.0 42.9 -64.2 -48.4 -22.5 5.4 29.6 50 77 A R H X S+ 0 0 136 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.878 111.2 56.0 -70.9 -32.5 -24.8 6.1 32.5 51 78 A M H X S+ 0 0 46 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.912 108.1 48.6 -61.0 -43.9 -24.8 9.9 31.8 52 79 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 6,-0.5 0.915 112.8 45.9 -64.6 -44.1 -26.1 9.3 28.3 53 80 A V H X S+ 0 0 36 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.909 115.8 47.7 -66.7 -39.0 -28.8 7.0 29.4 54 81 A E H < S+ 0 0 168 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.922 117.8 40.6 -65.0 -43.2 -29.8 9.3 32.2 55 82 A E H < S+ 0 0 49 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.928 129.2 25.3 -76.3 -43.3 -29.8 12.4 30.0 56 83 A T H < S- 0 0 30 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.669 89.0-134.8 -96.0 -22.2 -31.4 11.1 26.8 57 84 A G < + 0 0 25 -4,-1.6 2,-0.3 -5,-0.5 -4,-0.2 0.479 68.4 118.6 74.3 7.1 -33.5 8.2 28.2 58 85 A M - 0 0 16 -6,-0.5 -1,-0.3 51,-0.2 -2,-0.2 -0.790 57.8 -1.4-110.7 143.7 -32.1 6.1 25.3 59 86 A G S S- 0 0 8 236,-2.4 2,-0.3 -2,-0.3 238,-0.2 -0.252 79.8 -78.1 88.2-168.4 -30.0 3.0 25.1 60 87 A N > - 0 0 42 1,-0.1 4,-2.1 236,-0.1 5,-0.2 -0.992 21.7-126.6-143.5 150.7 -28.5 1.0 27.9 61 88 A V H > S+ 0 0 53 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.889 102.9 52.4 -61.4 -47.5 -25.5 1.4 30.1 62 89 A G H > S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 112.8 44.7 -60.6 -41.8 -23.7 -1.9 29.6 63 90 A H H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 110.4 54.5 -70.5 -36.3 -23.7 -1.7 25.9 64 91 A K H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.862 104.0 56.0 -66.7 -31.6 -22.6 1.9 26.0 65 92 A I H X S+ 0 0 31 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.962 108.1 48.3 -61.6 -45.5 -19.6 0.9 28.1 66 93 A L H X S+ 0 0 73 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.893 108.6 54.6 -62.1 -38.6 -18.6 -1.6 25.4 67 94 A K H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.892 109.1 46.9 -63.2 -38.4 -19.0 1.2 22.8 68 95 A H H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.862 110.7 51.8 -71.3 -35.7 -16.6 3.5 24.6 69 96 A Q H X S+ 0 0 63 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.900 109.9 50.7 -64.3 -38.1 -14.1 0.6 25.1 70 97 A L H X S+ 0 0 19 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.909 109.4 50.1 -63.6 -44.9 -14.3 0.0 21.3 71 98 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.937 113.5 46.1 -57.6 -49.0 -13.7 3.7 20.6 72 99 A A H < S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.880 120.3 37.9 -61.3 -41.5 -10.7 3.7 22.9 73 100 A E H < S+ 0 0 124 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.895 127.2 26.3 -80.2 -39.2 -9.2 0.5 21.5 74 101 A K H < S+ 0 0 85 -4,-3.1 328,-1.7 -5,-0.2 -3,-0.2 0.402 80.2 111.1-120.7 5.4 -9.9 0.6 17.8 75 102 A T S < S- 0 0 4 -4,-1.6 328,-0.1 -5,-0.3 341,-0.1 -0.639 75.1-112.6 -72.4 129.6 -10.2 4.2 16.7 76 103 A P - 0 0 7 0, 0.0 341,-0.3 0, 0.0 49,-0.2 -0.357 36.0-171.2 -66.9 144.4 -7.1 4.8 14.5 77 104 A G > - 0 0 0 48,-0.1 3,-2.1 339,-0.1 4,-0.2 0.022 56.5 -39.3-105.4-139.5 -4.4 7.2 15.7 78 105 A T G > S+ 0 0 19 1,-0.3 3,-1.8 2,-0.2 -50,-0.1 0.704 124.0 74.2 -69.0 -18.0 -1.4 8.7 14.0 79 106 A E G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -52,-0.1 -52,-0.0 0.703 86.4 66.8 -63.2 -17.8 -0.6 5.4 12.3 80 107 A D G < S+ 0 0 31 -3,-2.1 2,-0.7 2,-0.1 -1,-0.3 0.566 81.4 86.5 -77.6 -12.1 -3.6 6.2 10.0 81 108 A I < + 0 0 24 -3,-1.8 2,-0.3 -4,-0.2 -4,-0.0 -0.843 66.2 173.2 -94.8 114.4 -1.6 9.2 8.5 82 109 A T - 0 0 72 -2,-0.7 2,-0.3 336,-0.0 15,-0.3 -0.818 24.7-143.0-129.8 165.7 0.4 7.8 5.7 83 110 A T - 0 0 71 -2,-0.3 2,-0.3 13,-0.1 13,-0.2 -0.941 7.0-152.2-128.9 142.2 2.7 8.8 2.9 84 111 A T E -B 95 0B 67 11,-2.0 11,-1.9 -2,-0.3 2,-0.4 -0.865 10.5-164.6-112.2 155.6 3.2 7.6 -0.7 85 112 A A E -B 94 0B 62 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.999 10.9-175.7-139.4 134.5 6.4 7.9 -2.8 86 113 A W E +B 93 0B 137 7,-2.3 7,-3.1 -2,-0.4 2,-0.3 -0.999 20.0 177.4-121.4 132.0 7.1 7.5 -6.5 87 114 A S E +B 92 0B 47 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.970 15.1 115.5-143.3 151.2 10.7 7.7 -7.6 88 115 A G E > S-B 91 0B 21 3,-2.3 3,-2.2 -2,-0.3 345,-0.1 -0.922 77.9 -40.1-176.7-161.0 12.9 7.4 -10.7 89 116 A D T 3 S+ 0 0 154 1,-0.3 344,-0.1 -2,-0.3 3,-0.1 0.824 130.4 58.3 -54.5 -32.8 15.3 9.3 -12.9 90 117 A R T 3 S- 0 0 209 1,-0.2 340,-1.7 340,-0.1 2,-0.4 0.395 116.2-113.9 -82.9 5.5 12.9 12.3 -12.7 91 118 A G E < -BC 88 429B 4 -3,-2.2 -3,-2.3 338,-0.3 2,-0.4 -0.816 45.8 -34.8 113.7-143.4 13.3 12.4 -8.9 92 119 A L E -BC 87 428B 37 336,-2.2 336,-3.2 339,-0.4 2,-0.5 -0.996 41.5-169.7-131.3 124.6 11.1 11.7 -5.9 93 120 A T E -BC 86 427B 24 -7,-3.1 -7,-2.3 -2,-0.4 2,-0.3 -0.980 8.6-171.6-119.4 123.3 7.4 12.6 -5.6 94 121 A L E -BC 85 426B 51 332,-2.5 332,-2.8 -2,-0.5 2,-0.4 -0.819 12.6-156.5-104.3 152.1 5.7 12.3 -2.2 95 122 A V E -BC 84 425B 28 -11,-1.9 -11,-2.0 -2,-0.3 2,-0.3 -0.995 21.7-177.4-124.8 123.3 2.0 12.6 -1.4 96 123 A E E - C 0 424B 74 328,-2.8 328,-2.5 -2,-0.4 2,-0.7 -0.773 28.8-123.6-117.3 162.2 1.3 13.6 2.2 97 124 A M E - C 0 423B 35 -2,-0.3 326,-0.2 -15,-0.3 323,-0.0 -0.908 36.2-175.8-106.9 103.1 -1.8 14.1 4.3 98 125 A G E - C 0 422B 9 324,-3.0 324,-2.6 -2,-0.7 29,-0.1 -0.506 29.2 -88.0 -97.8 165.8 -1.8 17.6 5.8 99 126 A P E - C 0 421B 47 0, 0.0 322,-0.2 0, 0.0 -1,-0.1 -0.361 15.3-152.6 -70.4 152.1 -4.2 19.2 8.2 100 127 A F - 0 0 38 320,-0.7 2,-0.4 1,-0.2 321,-0.1 0.865 42.5-129.8 -75.5 -46.6 -7.4 21.1 7.2 101 128 A G + 0 0 8 28,-0.1 28,-1.9 82,-0.1 2,-0.6 -0.977 69.3 12.3 136.0-122.9 -7.2 23.3 10.3 102 129 A V E S-d 129 0C 4 80,-0.6 83,-0.5 -2,-0.4 2,-0.4 -0.857 72.4-159.0 -92.9 116.6 -10.2 23.8 12.6 103 130 A I E -de 130 185C 0 26,-2.9 28,-2.6 -2,-0.6 2,-0.3 -0.801 6.3-142.4 -98.3 135.1 -12.9 21.2 11.8 104 131 A G E -de 131 186C 0 81,-2.5 83,-2.7 -2,-0.4 2,-0.4 -0.723 18.7-168.9 -89.7 147.3 -16.6 21.7 12.8 105 132 A A E -de 132 187C 0 26,-2.2 28,-2.1 -2,-0.3 2,-0.5 -0.991 14.9-162.4-142.5 133.9 -18.6 18.7 13.9 106 133 A I E -de 133 188C 23 81,-2.2 83,-3.0 -2,-0.4 26,-0.1 -0.973 24.6-165.7-118.5 121.5 -22.3 18.2 14.5 107 134 A T - 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j 0 341D 12 -34,-2.4 3,-1.9 -2,-0.5 4,-1.1 -0.354 34.1-119.6 -57.8 132.7 -36.1 -17.0 2.4 252 279 A D H >> S+ 0 0 85 89,-3.0 3,-0.9 1,-0.3 4,-0.7 0.847 106.8 60.7 -43.7 -49.4 -39.4 -18.9 2.9 253 280 A A H 34 S+ 0 0 78 1,-0.3 -1,-0.3 88,-0.2 4,-0.2 0.720 117.8 28.5 -59.1 -24.0 -37.9 -22.3 3.5 254 281 A I H <> S+ 0 0 12 -3,-1.9 4,-2.3 -37,-0.2 -1,-0.3 0.440 93.5 95.8-116.3 0.4 -36.0 -21.2 6.6 255 282 A A H S+ 0 0 89 1,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.890 112.4 49.9 -57.6 -40.9 -36.9 -22.1 11.7 258 285 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.948 112.5 44.1 -64.6 -53.7 -35.4 -18.7 12.1 259 286 A M H X S+ 0 0 25 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.854 111.0 55.7 -62.1 -36.0 -38.3 -17.1 14.0 260 287 A N H X S+ 0 0 108 -4,-2.4 4,-3.3 -5,-0.2 5,-0.3 0.927 108.3 47.3 -64.4 -42.3 -38.6 -20.2 16.2 261 288 A Y H X>S+ 0 0 61 -4,-2.1 4,-3.0 2,-0.2 5,-0.9 0.892 110.2 54.5 -62.9 -39.8 -35.0 -19.9 17.3 262 289 A M H X5S+ 0 0 0 -4,-2.1 6,-1.7 3,-0.2 4,-1.2 0.940 116.3 36.5 -58.9 -47.5 -35.5 -16.2 17.9 263 290 A V H <5S+ 0 0 70 -4,-2.4 4,-0.4 4,-0.2 -2,-0.2 0.938 123.7 41.5 -70.0 -48.5 -38.4 -16.9 20.2 264 291 A K H <5S+ 0 0 175 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.866 133.8 12.9 -72.9 -36.2 -37.1 -20.0 21.8 265 292 A E H <5S+ 0 0 71 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.560 121.9 51.8-119.6 -15.7 -33.4 -19.0 22.3 266 293 A Q S < - 0 0 73 -2,-0.3 4,-2.9 46,-0.1 5,-0.2 -0.262 32.5 -97.1 -74.1 170.1 -50.1 -10.4 16.9 273 300 A K H > S+ 0 0 152 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.908 126.4 50.9 -50.8 -48.6 -51.8 -8.3 14.3 274 301 A E H > S+ 0 0 153 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.910 112.2 46.3 -58.2 -44.7 -53.8 -6.5 17.0 275 302 A Q H > S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.882 109.0 55.8 -67.5 -38.7 -50.6 -5.8 19.0 276 303 A Q H X S+ 0 0 12 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.894 106.6 50.6 -57.7 -43.0 -48.8 -4.6 15.9 277 304 A E H X S+ 0 0 149 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.898 112.7 45.9 -64.5 -41.3 -51.6 -2.1 15.3 278 305 A K H X S+ 0 0 118 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.906 113.3 48.9 -70.0 -39.4 -51.3 -0.8 18.9 279 306 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.907 111.2 50.4 -67.1 -40.2 -47.5 -0.7 18.8 280 307 A T H X S+ 0 0 28 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.893 107.6 53.7 -61.8 -40.2 -47.6 1.2 15.5 281 308 A N H < S+ 0 0 133 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.858 114.6 41.8 -65.4 -34.7 -50.1 3.7 16.9 282 309 A L H < S+ 0 0 43 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.936 117.9 40.9 -73.8 -52.2 -47.7 4.3 19.8 283 310 A V H < S+ 0 0 0 -4,-2.8 7,-2.5 1,-0.2 2,-0.6 0.698 112.7 52.4 -84.9 -18.7 -44.3 4.5 18.2 284 311 A I E < S-N 289 0E 50 -4,-1.9 5,-0.2 -5,-0.3 -1,-0.2 -0.946 76.7-173.2-117.3 111.7 -45.3 6.5 15.0 285 312 A T E > -N 288 0E 38 3,-3.0 3,-2.7 -2,-0.6 -3,-0.1 -0.454 44.3 -98.0 -99.3 166.9 -47.1 9.7 16.0 286 313 A P T 3 S+ 0 0 126 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.784 130.0 49.3 -52.8 -22.8 -48.8 12.3 13.9 287 314 A K T 3 S- 0 0 189 1,-0.3 2,-0.2 2,-0.0 -3,-0.0 0.150 122.2-104.6-103.0 16.2 -45.5 14.2 14.3 288 315 A G E < S+N 285 0E 29 -3,-2.7 -3,-3.0 2,-0.0 -1,-0.3 -0.646 81.6 18.8 101.2-157.3 -43.3 11.2 13.3 289 316 A L E S-N 284 0E 64 -2,-0.2 2,-0.7 -5,-0.2 -5,-0.2 -0.244 80.5-116.4 -52.2 132.0 -41.1 8.9 15.4 290 317 A N >> - 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