==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-APR-10 3MOS . COMPND 2 MOLECULE: TRANSKETOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.PARTHIER,K.TITTMANN . 616 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.1 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 . 1 0.2 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 . 51 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 1 1 2 1 4 3 0 3 1 2 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 3 3 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 3 A S 0 0 156 0, 0.0 227,-0.1 0, 0.0 226,-0.0 0.000 360.0 360.0 360.0 118.1 19.1 -14.9 25.0 2 4 A Y - 0 0 84 225,-0.2 2,-0.9 1,-0.1 51,-0.0 -0.311 360.0-145.5 -67.4 130.2 15.3 -15.2 25.7 3 5 A H - 0 0 125 49,-0.1 -1,-0.1 50,-0.0 224,-0.0 -0.838 15.8-144.0 -90.8 105.2 14.3 -15.2 29.3 4 6 A K - 0 0 145 -2,-0.9 220,-0.0 1,-0.1 2,-0.0 -0.511 24.5-125.9 -67.8 114.2 11.3 -17.6 29.4 5 7 A P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.295 15.0-134.2 -71.5 148.1 9.0 -16.0 32.0 6 8 A D > - 0 0 103 1,-0.1 4,-2.9 -2,-0.0 5,-0.2 -0.347 34.5 -95.0 -84.5 170.7 7.7 -17.9 35.1 7 9 A Q H > S+ 0 0 130 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.859 126.4 52.8 -49.4 -42.9 4.0 -17.9 36.2 8 10 A Q H > S+ 0 0 162 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.924 109.9 46.2 -64.6 -45.8 4.8 -15.1 38.7 9 11 A K H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.925 113.4 50.9 -63.9 -44.4 6.3 -13.0 36.0 10 12 A L H X S+ 0 0 4 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.948 110.6 47.7 -52.9 -52.1 3.4 -13.8 33.7 11 13 A Q H X S+ 0 0 35 -4,-3.4 4,-2.6 1,-0.2 266,-0.2 0.919 110.6 52.5 -57.6 -44.2 0.9 -12.8 36.5 12 14 A A H X S+ 0 0 23 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.835 107.7 51.5 -56.6 -41.2 3.0 -9.6 37.0 13 15 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.913 110.1 49.0 -64.1 -42.9 2.7 -8.8 33.3 14 16 A K H X S+ 0 0 75 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.923 111.1 50.6 -58.5 -44.1 -1.1 -9.3 33.4 15 17 A D H X S+ 0 0 4 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.912 111.2 48.3 -58.5 -41.0 -1.3 -7.0 36.5 16 18 A T H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.940 109.7 51.7 -64.3 -51.8 0.8 -4.4 34.6 17 19 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.931 112.3 47.2 -50.4 -46.6 -1.6 -4.8 31.6 18 20 A N H X S+ 0 0 25 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.903 110.5 51.1 -67.0 -39.2 -4.6 -4.2 34.0 19 21 A R H X S+ 0 0 34 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.903 108.6 53.0 -59.8 -36.7 -2.9 -1.2 35.6 20 22 A L H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.916 108.2 50.0 -66.6 -39.5 -2.3 0.2 32.1 21 23 A R H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.941 111.8 48.6 -57.5 -53.5 -6.1 -0.2 31.4 22 24 A I H X S+ 0 0 14 -4,-2.7 4,-3.5 2,-0.2 5,-0.2 0.966 111.7 47.7 -55.9 -50.0 -7.0 1.6 34.6 23 25 A S H X S+ 0 0 13 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.924 110.5 52.0 -58.3 -45.6 -4.6 4.5 34.0 24 26 A S H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.900 114.5 44.7 -55.9 -41.9 -5.9 4.8 30.3 25 27 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.943 113.7 47.3 -64.2 -53.8 -9.4 5.0 31.7 26 28 A Q H X S+ 0 0 83 -4,-3.5 4,-2.3 -5,-0.2 -2,-0.2 0.930 114.4 48.1 -56.7 -39.9 -8.7 7.4 34.5 27 29 A A H X S+ 0 0 3 -4,-2.7 4,-2.2 2,-0.2 6,-0.2 0.888 114.7 43.2 -68.8 -42.5 -6.7 9.8 32.3 28 30 A T H X>S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 5,-0.8 0.860 114.2 49.7 -79.1 -33.3 -9.3 9.9 29.5 29 31 A T H <5S+ 0 0 17 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.924 111.5 50.6 -66.1 -37.0 -12.2 10.3 31.9 30 32 A A H <5S+ 0 0 52 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.921 115.6 42.6 -66.2 -41.3 -10.3 13.1 33.7 31 33 A A H <5S- 0 0 38 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.833 101.5-134.7 -69.4 -33.7 -9.7 14.8 30.3 32 34 A G T <5S+ 0 0 53 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.549 80.7 60.1 79.1 11.1 -13.3 14.2 29.0 33 35 A S < + 0 0 42 -5,-0.8 -1,-0.2 -6,-0.2 2,-0.2 -0.969 63.1 82.0-154.6 171.2 -11.8 13.0 25.6 34 36 A G S S- 0 0 3 223,-0.4 42,-0.1 -2,-0.3 41,-0.1 -0.726 71.9 -76.4 116.3-172.5 -9.5 10.3 24.3 35 37 A H >> + 0 0 28 40,-0.4 4,-1.6 -2,-0.2 3,-0.8 -0.608 43.5 160.5-136.0 59.7 -9.6 6.7 23.3 36 38 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.887 78.7 56.5 -63.4 -29.0 -9.6 4.3 26.1 37 39 A T H 3> S+ 0 0 2 218,-0.4 206,-2.5 221,-0.3 4,-1.2 0.857 105.7 51.6 -68.5 -29.7 -11.0 1.4 24.1 38 40 A S H <4 S+ 0 0 0 -3,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.728 111.5 48.6 -75.5 -27.5 -8.0 1.7 21.7 39 41 A C H >< S+ 0 0 0 -4,-1.6 3,-1.2 -3,-0.2 4,-0.2 0.890 106.1 57.4 -68.0 -43.7 -5.7 1.6 24.7 40 42 A C H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.3 4,-0.3 0.798 99.7 55.3 -69.5 -33.1 -7.4 -1.5 26.2 41 43 A S T 3< S+ 0 0 0 -4,-1.2 -1,-0.3 1,-0.2 4,-0.2 0.735 113.6 44.3 -64.6 -25.2 -6.9 -3.8 23.1 42 44 A A T <> S+ 0 0 0 -3,-1.2 4,-2.8 -4,-0.3 5,-0.2 0.299 81.6 105.0-102.5 2.7 -3.1 -3.1 23.3 43 45 A A H <> S+ 0 0 0 -3,-0.9 4,-2.6 -4,-0.2 5,-0.1 0.921 83.8 41.7 -60.1 -44.9 -2.7 -3.4 27.1 44 46 A E H > S+ 0 0 16 -4,-0.3 4,-2.9 172,-0.2 5,-0.3 0.918 114.5 53.1 -67.0 -43.4 -0.9 -6.9 27.2 45 47 A I H > S+ 0 0 0 171,-0.4 4,-3.0 -4,-0.2 5,-0.3 0.942 112.6 44.2 -54.0 -50.8 1.2 -5.9 24.1 46 48 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.921 113.5 50.1 -65.1 -39.8 2.4 -2.8 25.9 47 49 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.915 115.2 43.7 -63.1 -45.6 3.0 -4.6 29.2 48 50 A V H X>S+ 0 0 0 -4,-2.9 5,-2.4 2,-0.2 4,-1.5 0.920 114.7 47.6 -71.3 -44.7 5.0 -7.4 27.5 49 51 A L H <>S+ 0 0 0 -4,-3.0 5,-2.9 -5,-0.3 -2,-0.2 0.956 121.2 36.3 -59.3 -48.7 7.1 -5.0 25.3 50 52 A F H <5S+ 0 0 4 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.766 128.0 32.9 -75.8 -23.8 7.9 -2.6 28.2 51 53 A F H <5S+ 0 0 6 -4,-2.1 -1,-0.2 -5,-0.2 -3,-0.2 0.304 134.6 11.9-125.0 8.5 8.3 -5.1 31.0 52 54 A H T <5S+ 0 0 16 -4,-1.5 -3,-0.2 -3,-0.1 -49,-0.1 0.410 124.9 35.7-137.7 -58.8 9.7 -8.2 29.4 53 55 A T T - 0 0 57 3,-0.5 3,-1.7 -2,-0.3 6,-0.2 -0.785 28.8-156.8 -88.3 115.1 17.1 3.1 30.2 58 60 A S T 3 S+ 0 0 30 -2,-0.7 -1,-0.2 1,-0.3 29,-0.1 0.793 93.3 46.0 -69.8 -24.9 13.9 4.0 32.1 59 61 A Q T 3 S+ 0 0 125 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.400 117.5 43.0 -93.6 1.7 15.4 7.3 33.2 60 62 A D X + 0 0 68 -3,-1.7 3,-1.6 1,-0.1 -3,-0.5 -0.599 61.6 171.3-145.4 77.2 16.8 8.2 29.8 61 63 A P T 3 S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.834 80.8 53.3 -60.3 -33.4 14.2 7.4 27.1 62 64 A R T 3 S+ 0 0 90 3,-0.0 53,-0.1 54,-0.0 -2,-0.0 0.453 76.3 136.5 -78.2 -5.6 16.3 9.2 24.4 63 65 A N X - 0 0 18 -3,-1.6 3,-1.6 -6,-0.2 -6,-0.1 -0.168 58.8-133.1 -49.2 133.3 19.4 7.2 25.1 64 66 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 81,-0.1 0.644 101.8 56.7 -71.3 -14.1 21.0 6.1 21.8 65 67 A H T 3 S+ 0 0 24 226,-0.1 225,-0.1 222,-0.1 223,-0.1 0.512 85.2 110.1 -88.9 -9.4 21.5 2.5 23.0 66 68 A N S < S- 0 0 2 -3,-1.6 -10,-0.2 -6,-0.1 79,-0.1 -0.344 76.9-110.1 -66.2 145.9 17.8 1.9 23.8 67 69 A D - 0 0 19 -12,-2.5 2,-0.4 78,-0.1 80,-0.2 -0.432 42.7-123.0 -57.8 148.8 15.4 -0.3 21.8 68 70 A R E -b 147 0B 2 78,-2.9 80,-2.7 -2,-0.1 2,-0.4 -0.834 22.6-164.7-100.9 143.0 13.0 2.0 20.0 69 71 A F E -b 148 0B 28 -2,-0.4 2,-0.5 78,-0.2 48,-0.3 -0.996 2.0-168.7-124.7 129.8 9.2 1.8 20.3 70 72 A V E -b 149 0B 5 78,-3.2 80,-2.5 -2,-0.4 2,-1.4 -0.974 12.0-155.5-118.5 117.2 6.9 3.6 17.8 71 73 A L E +b 150 0B 7 -2,-0.5 80,-0.1 78,-0.2 78,-0.1 -0.708 18.8 174.5 -86.9 89.4 3.2 3.9 18.7 72 74 A S S S+ 0 0 0 78,-1.5 2,-1.9 -2,-1.4 53,-0.3 0.888 74.3 64.2 -65.8 -35.5 1.9 4.2 15.1 73 75 A K S > S+ 0 0 2 77,-1.4 3,-2.1 1,-0.2 -1,-0.2 -0.625 77.3 179.6 -85.6 78.3 -1.7 4.1 16.3 74 76 A G G > + 0 0 0 -2,-1.9 3,-1.6 46,-1.2 47,-0.2 0.675 64.2 75.6 -67.1 -22.5 -1.0 7.4 18.1 75 77 A H G 3 S+ 0 0 23 1,-0.3 -40,-0.4 45,-0.2 -1,-0.3 0.650 82.5 70.8 -64.1 -12.6 -4.5 7.8 19.5 76 78 A A G X> + 0 0 0 -3,-2.1 3,-1.6 1,-0.2 4,-1.1 0.193 64.3 125.7 -82.9 18.9 -3.5 5.2 22.1 77 79 A A H <> + 0 0 0 -3,-1.6 4,-2.6 30,-0.3 3,-0.5 0.817 58.0 66.4 -49.0 -40.6 -1.2 7.8 23.6 78 80 A P H 3> S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.851 102.4 47.4 -54.9 -34.9 -2.6 7.5 27.2 79 81 A I H <> S+ 0 0 0 -3,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.812 108.6 53.8 -76.4 -30.9 -1.3 3.9 27.4 80 82 A L H X S+ 0 0 7 -4,-1.1 4,-1.6 -3,-0.5 -1,-0.2 0.915 111.7 46.7 -58.0 -47.1 2.2 5.1 26.1 81 83 A Y H X S+ 0 0 3 -4,-2.6 4,-1.8 1,-0.2 3,-0.4 0.966 109.7 54.1 -59.7 -49.6 2.1 7.7 29.0 82 84 A A H X S+ 0 0 3 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.874 106.4 51.4 -54.9 -41.3 0.9 4.9 31.4 83 85 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.898 108.4 51.4 -68.3 -29.3 4.0 2.7 30.6 84 86 A W H <>S+ 0 0 16 -4,-1.6 6,-1.9 -3,-0.4 5,-1.9 0.808 112.0 46.3 -79.8 -26.0 6.4 5.5 31.1 85 87 A A H ><5S+ 0 0 9 -4,-1.8 3,-1.6 4,-0.2 -2,-0.2 0.900 112.6 50.8 -71.1 -44.6 4.8 6.2 34.6 86 88 A E H 3<5S+ 0 0 16 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.888 107.8 53.5 -57.4 -38.8 5.0 2.4 35.3 87 89 A A T 3<5S- 0 0 13 -4,-2.6 -1,-0.3 -5,-0.2 197,-0.2 0.548 120.4-110.8 -74.7 -9.1 8.7 2.4 34.3 88 90 A G T < 5S+ 0 0 43 -3,-1.6 -3,-0.2 2,-0.3 -2,-0.1 0.413 92.2 103.9 99.0 -3.1 9.4 5.3 36.8 89 91 A F S > - 0 0 69 -2,-0.3 3,-1.0 1,-0.1 4,-0.6 -0.570 24.8-132.4 -65.9 132.3 5.1 10.8 37.8 92 94 A E G >4 S+ 0 0 127 -2,-0.3 3,-1.1 1,-0.3 4,-0.5 0.867 104.3 58.0 -61.4 -33.3 1.9 8.8 38.1 93 95 A A G >4 S+ 0 0 75 1,-0.2 3,-1.2 2,-0.2 -1,-0.3 0.838 94.5 66.8 -66.4 -32.4 -0.2 11.8 39.2 94 96 A E G X4 S+ 0 0 59 -3,-1.0 3,-2.3 1,-0.2 -1,-0.2 0.778 83.5 75.1 -58.6 -24.9 0.8 13.6 35.9 95 97 A L G X< S+ 0 0 9 -3,-1.1 3,-1.5 -4,-0.6 -1,-0.2 0.854 87.2 61.4 -59.7 -33.1 -1.2 11.0 33.9 96 98 A L G < S+ 0 0 76 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.586 90.2 68.9 -66.7 -11.6 -4.4 12.7 35.1 97 99 A N G X S+ 0 0 42 -3,-2.3 3,-2.2 -4,-0.2 -1,-0.3 0.253 70.7 152.3 -93.1 13.6 -3.4 15.9 33.3 98 100 A L T < S+ 0 0 1 -3,-1.5 8,-0.2 1,-0.2 9,-0.1 -0.112 70.2 3.5 -43.4 129.4 -3.8 14.2 29.9 99 101 A R T 3 S+ 0 0 83 6,-2.8 -1,-0.2 1,-0.2 2,-0.1 0.371 94.9 139.1 73.1 2.6 -4.7 16.8 27.2 100 102 A K X - 0 0 100 -3,-2.2 3,-1.9 5,-0.2 -1,-0.2 -0.443 62.8-127.1 -78.0 147.5 -4.4 19.9 29.5 101 103 A I T 3 S+ 0 0 186 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.741 112.7 56.9 -64.5 -16.4 -2.8 23.1 28.3 102 104 A S T 3 S+ 0 0 100 -5,-0.1 2,-0.3 3,-0.1 -1,-0.3 0.310 103.1 68.2 -93.2 8.3 -0.6 22.9 31.5 103 105 A S < - 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c 0 181B 9 -2,-0.3 4,-0.5 28,-0.2 30,-0.1 -0.445 22.8-123.0 -73.9 164.8 -4.0 -0.5 14.5 153 155 A D T >4 S+ 0 0 4 28,-1.0 3,-1.0 32,-0.3 4,-0.3 0.924 113.3 49.0 -81.6 -43.0 -5.9 -2.7 12.1 154 156 A G G >4 S+ 0 0 28 31,-0.4 3,-2.2 1,-0.2 4,-0.2 0.914 106.0 63.1 -51.5 -42.8 -8.0 0.1 10.4 155 157 A E G >4 S+ 0 0 5 1,-0.3 3,-2.4 2,-0.2 6,-0.2 0.799 86.4 71.4 -54.1 -31.2 -4.6 1.8 10.1 156 158 A L G << S+ 0 0 13 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.609 80.0 76.4 -70.3 -6.4 -3.4 -1.1 7.8 157 159 A S G < S+ 0 0 87 -3,-2.2 2,-0.4 -4,-0.3 -1,-0.3 0.695 73.2 98.6 -70.1 -16.9 -5.7 0.4 5.2 158 160 A E S X> S- 0 0 89 -3,-2.4 3,-1.5 -4,-0.2 4,-0.8 -0.562 71.3-144.3 -75.6 124.4 -3.1 3.2 4.5 159 161 A G H >> S+ 0 0 40 -2,-0.4 4,-1.7 1,-0.3 3,-0.5 0.844 96.1 69.7 -58.7 -26.5 -1.0 2.5 1.6 160 162 A S H 3> S+ 0 0 5 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.825 93.5 58.9 -56.2 -35.0 2.0 4.1 3.3 161 163 A V H <> S+ 0 0 2 -3,-1.5 4,-2.4 -6,-0.2 -1,-0.3 0.913 105.2 47.1 -58.9 -46.5 2.0 1.1 5.6 162 164 A W H S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 -1,-0.2 0.853 112.1 43.2 -65.8 -35.0 11.6 -3.6 5.4 169 171 A S H ><5S+ 0 0 35 -4,-1.5 3,-1.1 38,-0.2 -1,-0.2 0.924 112.0 52.3 -79.3 -38.8 11.8 -6.9 3.4 170 172 A I H 3<5S+ 0 0 78 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.921 118.2 39.7 -54.2 -41.2 13.9 -5.3 0.6 171 173 A Y T 3<5S- 0 0 37 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.322 107.0-127.3-104.9 16.8 16.3 -4.1 3.2 172 174 A K T < 5 - 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0 0 1 -3,-1.4 3,-1.6 169,-0.3 4,-0.3 -0.282 36.1 -41.2 93.6 178.6 3.6 18.3 -19.2 424 426 A P G > S+ 0 0 46 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.653 117.7 73.0 -68.0 -21.5 1.9 19.3 -16.0 425 427 A S G 3 S+ 0 0 79 -3,-0.3 -2,-0.1 1,-0.3 -3,-0.0 0.834 110.5 36.0 -60.9 -28.2 1.9 15.9 -14.1 426 428 A Q G < S+ 0 0 42 -3,-1.6 2,-0.7 -4,-0.1 -37,-0.4 0.449 96.6 102.3 -99.9 -4.0 5.6 16.4 -13.7 427 429 A M < - 0 0 4 -3,-0.9 2,-0.6 -4,-0.3 -12,-0.2 -0.742 63.3-146.0 -88.2 116.8 5.5 20.2 -13.2 428 430 A A B +n 415 0F 0 -14,-1.3 -12,-3.1 -2,-0.7 -39,-0.1 -0.677 39.9 146.9 -79.7 118.5 5.8 21.4 -9.6 429 431 A L S S+ 0 0 1 -2,-0.6 132,-3.0 -14,-0.1 -1,-0.2 0.301 71.6 41.9-131.6 4.0 3.6 24.5 -9.4 430 432 A E S > S+ 0 0 67 130,-0.2 4,-2.5 -3,-0.1 5,-0.1 0.212 80.8 100.1-133.8 4.5 2.4 24.3 -5.8 431 433 A D H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.818 82.2 51.9 -69.5 -32.7 5.5 23.3 -4.0 432 434 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 112.6 47.4 -70.0 -38.8 6.3 26.8 -2.7 433 435 A A H > S+ 0 0 31 130,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.942 115.2 46.2 -57.3 -51.2 2.8 27.0 -1.4 434 436 A M H < S+ 0 0 12 -4,-2.5 3,-0.4 2,-0.2 4,-0.3 0.959 117.6 39.9 -59.8 -56.7 3.1 23.5 0.2 435 437 A F H >< S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.2 6,-0.2 0.882 110.8 57.7 -71.5 -30.7 6.5 24.0 1.8 436 438 A R H 3< S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.834 102.5 57.7 -59.8 -32.0 5.8 27.6 2.9 437 439 A S T 3< S+ 0 0 75 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.516 83.4 96.0 -79.5 -1.6 2.8 26.3 4.9 438 440 A V S X S- 0 0 2 -3,-1.5 3,-2.0 -4,-0.3 27,-0.1 -0.798 75.9-141.8 -89.2 123.7 5.0 24.0 6.8 439 441 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -40,-0.0 0.738 92.5 39.2 -71.9 -25.4 5.7 25.8 9.9 440 442 A T T 3 S+ 0 0 55 2,-0.0 25,-0.7 -3,-0.0 2,-0.1 0.191 92.8 129.6 -97.4 17.8 9.4 25.0 10.6 441 443 A S E < -l 465 0E 7 -3,-2.0 2,-0.5 -6,-0.2 25,-0.2 -0.380 43.3-163.1 -77.5 151.1 10.4 25.2 6.9 442 444 A T E -l 466 0E 14 23,-2.1 25,-3.0 -2,-0.1 2,-0.7 -0.999 16.6-153.7-124.0 126.0 13.2 27.1 5.2 443 445 A V E -lM 467 536E 0 93,-2.9 92,-2.8 -2,-0.5 93,-1.2 -0.891 10.8-172.1-110.8 111.6 12.6 27.4 1.5 444 446 A F E +lM 468 534E 0 23,-3.0 25,-2.3 -2,-0.7 90,-0.2 -0.812 8.2 179.8-100.7 130.6 15.7 27.7 -0.7 445 447 A Y - 0 0 0 88,-3.4 62,-0.5 -2,-0.5 88,-0.5 -0.694 16.2-162.5-131.2 85.9 15.2 28.5 -4.4 446 448 A P - 0 0 0 0, 0.0 -131,-0.1 0, 0.0 25,-0.1 -0.404 10.7-159.3 -75.8 139.2 18.7 28.7 -5.8 447 449 A S + 0 0 1 -2,-0.1 2,-0.3 60,-0.1 64,-0.1 0.577 69.5 10.6 -98.1 -11.0 19.1 30.4 -9.2 448 450 A D S > S- 0 0 1 -133,-0.1 4,-2.4 -134,-0.1 5,-0.1 -0.926 88.4 -84.5-151.6-177.5 22.4 29.0 -10.3 449 451 A G H > S+ 0 0 0 -2,-0.3 4,-2.1 -136,-0.2 5,-0.2 0.836 123.3 49.7 -60.4 -41.4 25.0 26.3 -9.5 450 452 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.963 112.1 46.9 -65.5 -49.6 26.8 28.4 -6.9 451 453 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.892 111.3 54.6 -59.3 -35.3 23.6 29.4 -5.1 452 454 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.911 108.2 46.9 -64.3 -46.7 22.6 25.6 -5.2 453 455 A E H X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.931 113.6 48.4 -62.4 -42.7 25.9 24.5 -3.5 454 456 A K H X S+ 0 0 26 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.873 109.0 53.3 -64.7 -37.2 25.6 27.1 -0.9 455 457 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.925 107.4 52.3 -63.1 -46.3 21.9 26.2 -0.3 456 458 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.937 112.3 45.4 -54.3 -45.8 23.0 22.5 0.3 457 459 A E H X S+ 0 0 31 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.931 115.1 45.5 -63.2 -49.4 25.6 23.6 2.8 458 460 A L H >< S+ 0 0 29 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.918 111.4 53.4 -61.3 -43.2 23.3 26.0 4.7 459 461 A A H >< S+ 0 0 0 -4,-3.1 3,-2.4 1,-0.3 -1,-0.2 0.931 102.7 58.6 -59.8 -44.4 20.4 23.4 4.7 460 462 A A H 3< S+ 0 0 14 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.849 112.7 39.1 -53.1 -33.8 22.7 20.8 6.2 461 463 A N T << S+ 0 0 58 -4,-1.0 2,-0.5 -3,-0.7 -1,-0.3 0.174 99.3 93.4-103.1 15.5 23.3 23.1 9.1 462 464 A T < - 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0 0 104 -2,-0.5 2,-0.3 15,-0.2 -1,-0.1 0.562 59.0 -0.1 -95.2 -3.2 -2.6 31.0 -14.2 589 591 A R S S- 0 0 127 14,-0.0 -1,-0.1 -28,-0.0 0, 0.0 -0.970 96.5 -49.9-166.0 174.2 -3.9 27.5 -14.9 590 592 A V - 0 0 102 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.361 62.7-139.9 -55.8 128.5 -2.9 23.9 -15.5 591 593 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.181 11.1-148.0 -81.5-160.6 -0.2 23.8 -18.2 592 594 A R - 0 0 136 -169,-0.1 -169,-0.3 -168,-0.1 2,-0.2 -0.884 32.9 -67.8-159.1 176.6 0.5 21.5 -21.2 593 595 A S + 0 0 52 -2,-0.3 2,-0.3 -171,-0.2 -172,-0.2 -0.542 66.8 110.4 -88.3 148.6 3.5 20.1 -23.1 594 596 A G S S- 0 0 16 -2,-0.2 -171,-0.2 -174,-0.1 -172,-0.1 -0.930 71.1 -49.2 176.4-177.8 5.8 22.2 -25.3 595 597 A K > - 0 0 118 -2,-0.3 4,-2.8 -175,-0.2 5,-0.3 -0.387 55.3-111.4 -66.3 149.4 9.4 23.5 -25.3 596 598 A P H > S+ 0 0 37 0, 0.0 4,-2.2 0, 0.0 -176,-0.2 0.909 119.3 44.6 -46.0 -50.4 10.6 25.1 -22.1 597 599 A A H > S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.871 111.7 52.7 -66.6 -37.6 10.8 28.5 -23.8 598 600 A E H > S+ 0 0 109 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.880 111.5 47.3 -61.3 -41.0 7.4 28.1 -25.5 599 601 A L H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.877 106.6 55.7 -70.0 -41.0 5.8 27.3 -22.2 600 602 A L H <>S+ 0 0 6 -4,-2.2 5,-2.6 -5,-0.3 6,-0.6 0.913 114.5 41.3 -57.8 -38.0 7.4 30.2 -20.4 601 603 A K H ><5S+ 0 0 134 -4,-1.7 3,-1.5 3,-0.2 -2,-0.2 0.908 111.5 54.0 -72.2 -43.9 5.9 32.5 -23.1 602 604 A M H 3<5S+ 0 0 95 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.891 113.3 45.2 -59.6 -34.3 2.4 30.8 -23.2 603 605 A F T 3<5S- 0 0 10 -4,-2.2 -1,-0.3 -5,-0.2 -15,-0.2 0.349 113.3-116.8-102.5 12.3 2.2 31.2 -19.5 604 606 A G T < 5S+ 0 0 27 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.828 85.1 103.5 70.5 34.3 3.3 34.8 -19.4 605 607 A I < + 0 0 0 -5,-2.6 -4,-0.2 -6,-0.2 -93,-0.1 0.217 52.0 102.8-132.8 17.3 6.5 34.5 -17.3 606 608 A D S > S- 0 0 15 -6,-0.6 4,-2.3 -5,-0.1 5,-0.2 -0.248 90.7 -83.0 -93.3-179.5 9.3 34.8 -20.0 607 609 A R H > S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.867 128.5 50.0 -54.5 -42.8 11.6 37.8 -20.9 608 610 A D H > S+ 0 0 72 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.892 109.9 49.6 -68.2 -44.1 8.9 39.4 -23.1 609 611 A A H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 114.4 45.9 -54.5 -44.8 6.2 39.1 -20.5 610 612 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.911 117.0 43.8 -66.3 -42.3 8.5 40.7 -18.0 611 613 A A H X S+ 0 0 1 -4,-2.7 4,-2.0 2,-0.2 3,-0.5 0.971 114.2 49.4 -68.8 -56.5 9.5 43.4 -20.5 612 614 A Q H < S+ 0 0 151 -4,-3.7 4,-0.2 1,-0.2 -2,-0.2 0.868 113.5 49.1 -46.0 -43.8 5.9 44.0 -21.7 613 615 A A H >< S+ 0 0 28 -4,-2.2 3,-0.9 -5,-0.3 -1,-0.2 0.794 105.7 54.1 -71.0 -35.8 4.8 44.3 -18.0 614 616 A V H 3< S+ 0 0 19 -4,-1.8 -2,-0.2 -3,-0.5 -1,-0.2 0.929 100.5 60.9 -63.7 -45.4 7.6 46.8 -16.9 615 617 A R T 3< 0 0 118 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.651 360.0 360.0 -52.4 -15.1 6.5 49.1 -19.7 616 618 A G < 0 0 99 -3,-0.9 -3,-0.0 -4,-0.2 0, 0.0 -0.589 360.0 360.0-103.4 360.0 3.1 49.2 -17.9