==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-APR-11 3RR1 . COMPND 2 MOLECULE: PUTATIVE D-GALACTONATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA PICKETTII; . AUTHOR Y.PATSKOVSKY,B.HILLERICH,R.D.SEIDEL,W.D.ZENCHECK,R.TORO,H.J. . 748 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 513 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 6.6 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 . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 42 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 2 0 1 1 0 2 4 4 1 5 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 9 3 0 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 . 4 4 1 1 0 0 0 2 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 4 0 0 0 0 0 2 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 0 A M 0 0 152 0, 0.0 2,-0.2 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 121.9 14.4 -29.8 -12.6 2 1 A V - 0 0 28 21,-0.1 2,-0.4 23,-0.0 57,-0.2 -0.509 360.0-166.1 -65.9 139.6 15.9 -28.5 -9.3 3 2 A K - 0 0 93 -2,-0.2 21,-2.3 54,-0.2 2,-0.2 -1.000 23.9-117.3-133.8 139.3 18.9 -26.2 -9.8 4 3 A I E +A 23 0A 2 52,-2.5 51,-2.8 49,-0.4 19,-0.3 -0.538 32.9 177.3 -67.6 132.1 21.6 -25.0 -7.4 5 4 A T E - 0 0 65 17,-3.2 2,-0.3 1,-0.3 18,-0.2 0.749 53.8 -0.5-109.0 -34.0 21.3 -21.1 -7.2 6 5 A R E -A 22 0A 151 16,-1.2 16,-2.8 47,-0.0 2,-0.4 -0.988 47.1-150.9-160.8 143.4 23.9 -19.9 -4.7 7 6 A L E -A 21 0A 14 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.987 18.0-173.1-117.2 139.4 26.6 -21.0 -2.3 8 7 A T E -A 20 0A 35 12,-2.0 12,-2.7 -2,-0.4 2,-0.3 -0.997 8.8-153.5-132.3 132.9 27.4 -18.9 0.8 9 8 A T E -A 19 0A 16 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.782 6.1-164.6-100.5 151.0 30.2 -19.4 3.3 10 9 A Y E -A 18 0A 23 8,-2.6 8,-2.4 -2,-0.3 2,-0.5 -0.950 10.4-150.1-137.7 114.7 30.1 -18.4 7.0 11 10 A R E -A 17 0A 80 -2,-0.4 6,-0.2 344,-0.3 -2,-0.0 -0.734 24.2-152.6 -80.2 129.1 33.2 -18.1 9.2 12 11 A L E > -A 16 0A 7 4,-3.1 4,-1.5 -2,-0.5 343,-0.1 -0.905 22.7-103.4-119.7 142.0 32.2 -18.9 12.8 13 12 A P T 4 S+ 0 0 65 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.415 108.7 44.3 -42.1 -28.6 33.7 -17.7 16.2 14 13 A P T 4 S- 0 0 84 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.720 128.6 -68.9 -74.8-100.0 35.5 -20.8 17.3 15 14 A R T 4 S+ 0 0 35 21,-0.0 21,-0.5 2,-0.0 20,-0.5 -0.205 94.4 118.7-146.2 43.3 37.4 -22.2 14.2 16 15 A W E < -A 12 0A 28 -4,-1.5 -4,-3.1 19,-0.1 2,-0.4 -0.733 42.0-162.8-113.7 158.9 34.5 -23.4 12.1 17 16 A M E -A 11 0A 0 16,-0.5 2,-0.3 -2,-0.3 -6,-0.2 -0.986 7.3-165.3-138.2 133.4 33.1 -22.6 8.7 18 17 A F E -A 10 0A 0 -8,-2.4 -8,-2.6 -2,-0.4 2,-0.4 -0.842 5.5-156.1-110.0 151.6 29.6 -23.5 7.5 19 18 A L E -AB 9 31A 0 12,-2.7 12,-2.2 -2,-0.3 2,-0.5 -0.976 1.3-154.7-125.1 149.4 28.5 -23.4 3.9 20 19 A K E -AB 8 30A 12 -12,-2.7 -12,-2.0 -2,-0.4 2,-0.6 -0.982 2.1-162.7-124.9 123.3 24.9 -23.1 2.6 21 20 A V E -AB 7 29A 1 8,-3.1 8,-2.6 -2,-0.5 2,-0.3 -0.915 12.4-164.6-106.9 118.8 23.8 -24.4 -0.8 22 21 A E E -AB 6 28A 43 -16,-2.8 -17,-3.2 -2,-0.6 -16,-1.2 -0.786 2.2-163.3-104.9 148.6 20.5 -22.9 -2.0 23 22 A T E > -A 4 0A 7 4,-0.6 3,-1.4 -2,-0.3 -19,-0.2 -0.787 34.3-109.7-121.8 168.0 18.4 -24.3 -4.8 24 23 A D T 3 S+ 0 0 86 -21,-2.3 -20,-0.1 1,-0.3 -22,-0.0 0.528 116.5 61.0 -77.3 -3.4 15.5 -22.8 -6.9 25 24 A E T 3 S- 0 0 126 -22,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.428 116.9-111.8 -97.4 -5.8 13.0 -25.0 -5.2 26 25 A G S < S+ 0 0 60 -3,-1.4 2,-0.5 1,-0.3 -2,-0.1 0.540 73.4 137.0 83.5 7.8 13.9 -23.5 -1.8 27 26 A V - 0 0 34 2,-0.0 -4,-0.6 71,-0.0 2,-0.4 -0.799 38.1-161.2 -88.9 125.1 15.5 -26.7 -0.5 28 27 A T E -B 22 0A 31 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.903 7.2-159.1-118.4 131.1 18.7 -25.7 1.3 29 28 A G E -B 21 0A 0 -8,-2.6 -8,-3.1 -2,-0.4 2,-0.4 -0.866 5.9-148.4-111.7 146.8 21.7 -27.9 2.2 30 29 A W E +B 20 0A 9 -2,-0.4 2,-0.3 59,-0.2 63,-0.2 -0.900 15.4 178.5-115.5 143.2 24.4 -27.3 4.8 31 30 A G E -B 19 0A 0 -12,-2.2 -12,-2.7 -2,-0.4 55,-0.2 -0.938 16.4-152.7-140.0 158.2 28.0 -28.4 4.8 32 31 A E - 0 0 1 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.857 12.7-170.8-139.7 96.4 31.0 -28.0 7.1 33 32 A P - 0 0 2 0, 0.0 -16,-0.5 0, 0.0 2,-0.5 -0.516 32.8-106.5 -79.4 156.8 34.5 -28.0 5.7 34 33 A V + 0 0 3 227,-1.9 -18,-0.1 -2,-0.2 52,-0.1 -0.718 45.1 162.2 -75.7 122.3 37.7 -28.2 7.9 35 34 A I > + 0 0 3 -2,-0.5 3,-3.4 -20,-0.5 -1,-0.2 0.720 11.7 149.8-105.5 -27.7 39.3 -24.8 7.9 36 35 A E T 3 S- 0 0 79 -21,-0.5 -2,-0.1 1,-0.3 -20,-0.1 0.441 83.0 -10.1 -23.4 101.2 41.5 -25.0 10.9 37 36 A G T 3 S+ 0 0 35 411,-0.1 -1,-0.3 -22,-0.0 3,-0.1 0.163 133.2 57.4 93.8 -15.9 44.4 -22.8 10.0 38 37 A R <> + 0 0 8 -3,-3.4 4,-2.2 1,-0.1 5,-0.2 -0.302 57.8 145.8-139.5 55.1 43.7 -22.0 6.4 39 38 A A H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.850 70.7 48.3 -66.4 -41.5 40.3 -20.5 6.4 40 39 A R H > S+ 0 0 170 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.870 112.9 50.3 -67.4 -35.4 40.7 -18.0 3.6 41 40 A T H > S+ 0 0 0 2,-0.2 4,-2.2 378,-0.2 -2,-0.2 0.943 112.6 45.2 -69.2 -47.5 42.2 -20.6 1.3 42 41 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.940 112.8 51.9 -61.6 -44.4 39.5 -23.1 1.9 43 42 A E H X S+ 0 0 52 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.917 109.9 48.7 -58.5 -45.7 36.8 -20.4 1.5 44 43 A A H X S+ 0 0 21 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.898 110.6 51.9 -58.8 -43.5 38.3 -19.4 -1.8 45 44 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.920 107.6 51.4 -59.0 -48.4 38.4 -23.0 -2.9 46 45 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.930 112.7 46.2 -54.1 -49.4 34.7 -23.5 -2.0 47 46 A H H < S+ 0 0 73 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.831 111.9 50.4 -68.9 -31.0 33.8 -20.4 -4.1 48 47 A E H >< S+ 0 0 30 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.915 110.8 48.9 -70.4 -39.3 36.0 -21.5 -7.0 49 48 A L H >< S+ 0 0 0 -4,-2.8 3,-2.9 1,-0.2 4,-0.3 0.846 93.7 77.8 -68.2 -29.6 34.3 -25.0 -7.0 50 49 A S G >X S+ 0 0 10 -4,-2.0 4,-2.4 1,-0.3 3,-1.6 0.737 78.3 73.8 -46.6 -30.8 30.9 -23.2 -6.9 51 50 A D G <4 S+ 0 0 129 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.732 95.7 48.8 -54.8 -28.3 31.5 -22.6 -10.6 52 51 A Y G <4 S+ 0 0 30 -3,-2.9 -1,-0.3 -4,-0.2 -2,-0.2 0.500 115.4 45.2 -88.1 -8.0 30.7 -26.3 -11.2 53 52 A L T X4 S+ 0 0 0 -3,-1.6 3,-2.7 -4,-0.3 -49,-0.4 0.835 81.4 97.5-104.9 -48.1 27.6 -26.2 -9.1 54 53 A I T 3< S+ 0 0 78 -4,-2.4 -49,-0.2 1,-0.3 3,-0.1 -0.220 100.1 10.4 -55.3 125.4 25.6 -23.0 -10.0 55 54 A G T 3 S+ 0 0 32 -51,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.369 105.7 117.9 88.6 -2.8 22.9 -23.9 -12.5 56 55 A Q S < S- 0 0 83 -3,-2.7 -52,-2.5 -52,-0.2 -1,-0.3 -0.597 73.7-104.6-101.6 156.5 23.3 -27.7 -12.0 57 56 A D > - 0 0 26 -54,-0.2 3,-1.4 -2,-0.2 -54,-0.2 -0.698 24.2-155.5 -76.4 116.5 21.0 -30.4 -10.7 58 57 A P T 3 S+ 0 0 2 0, 0.0 37,-0.2 0, 0.0 -1,-0.2 0.622 84.2 80.0 -72.4 -9.7 22.2 -31.2 -7.2 59 58 A S T 3 S+ 0 0 56 1,-0.2 2,-1.7 -57,-0.2 3,-0.3 0.787 78.3 73.7 -60.1 -25.9 20.6 -34.7 -7.5 60 59 A R <> + 0 0 126 -3,-1.4 4,-2.4 1,-0.2 -1,-0.2 -0.459 57.0 153.7 -89.4 63.6 23.7 -35.8 -9.5 61 60 A I H > S+ 0 0 4 -2,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.915 70.4 52.9 -61.4 -43.0 26.0 -35.9 -6.5 62 61 A N H > S+ 0 0 103 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.891 110.9 46.4 -57.9 -47.2 28.3 -38.4 -8.1 63 62 A D H > S+ 0 0 24 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.936 115.6 45.7 -58.7 -51.5 28.7 -36.3 -11.2 64 63 A L H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.849 112.2 51.7 -62.0 -37.1 29.4 -33.1 -9.2 65 64 A W H X S+ 0 0 2 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.943 113.8 43.5 -63.6 -48.5 31.8 -35.0 -6.9 66 65 A Q H X S+ 0 0 46 -4,-2.2 4,-2.7 1,-0.2 5,-0.5 0.871 113.1 52.6 -66.7 -40.6 33.8 -36.3 -9.9 67 66 A T H X>S+ 0 0 2 -4,-2.8 4,-1.6 2,-0.2 5,-0.5 0.914 112.8 43.3 -57.9 -50.7 33.6 -32.9 -11.6 68 67 A M H <5S+ 0 0 5 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.896 118.4 46.7 -62.6 -42.7 35.0 -31.0 -8.6 69 68 A Y H <5S+ 0 0 8 -4,-2.4 7,-0.4 -5,-0.2 -2,-0.2 0.897 132.2 3.8 -66.7 -47.5 37.6 -33.7 -7.9 70 69 A R H <5S+ 0 0 48 -4,-2.7 681,-2.7 -5,-0.2 -3,-0.2 0.614 106.7 78.5-122.1 -8.7 39.1 -34.3 -11.3 71 70 A A T <5S+ 0 0 4 -4,-1.6 670,-0.4 -5,-0.5 681,-0.3 0.785 101.3 22.3 -88.8 -28.0 37.8 -32.0 -14.0 72 71 A G S - 0 0 11 374,-0.1 4,-2.3 161,-0.0 5,-0.3 -0.087 65.8 -37.6-107.2-139.7 45.1 -32.5 -1.2 78 77 A P H > S+ 0 0 4 0, 0.0 4,-0.7 0, 0.0 374,-0.1 0.760 136.3 41.6 -65.4 -29.9 44.2 -30.9 2.1 79 78 A I H > S+ 0 0 2 2,-0.2 4,-2.1 3,-0.1 5,-0.1 0.954 118.7 40.4 -80.2 -55.6 42.5 -27.7 0.8 80 79 A L H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.867 114.1 52.7 -65.8 -36.3 40.6 -29.0 -2.2 81 80 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 183,-0.7 0.848 108.9 50.9 -71.3 -33.2 39.4 -32.1 -0.5 82 81 A S H X S+ 0 0 0 -4,-0.7 4,-2.1 -5,-0.3 -2,-0.2 0.920 111.2 47.7 -65.3 -43.3 38.1 -30.1 2.5 83 82 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.935 114.5 46.9 -63.5 -44.4 36.1 -27.8 0.0 84 83 A I H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.901 109.4 54.6 -60.3 -44.4 34.8 -30.8 -1.7 85 84 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 177,-0.2 181,-0.3 0.907 108.9 47.9 -57.8 -43.1 33.9 -32.4 1.6 86 85 A G H X S+ 0 0 0 -4,-2.1 4,-1.8 175,-0.2 -1,-0.2 0.910 114.3 45.2 -65.3 -42.4 31.8 -29.4 2.6 87 86 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.941 111.0 53.8 -68.3 -43.2 30.0 -29.2 -0.7 88 87 A D H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.860 105.9 52.8 -58.7 -43.3 29.3 -32.9 -0.7 89 88 A Q H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.945 110.4 48.1 -57.7 -49.6 27.7 -32.8 2.8 90 89 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.837 109.3 53.0 -59.9 -37.8 25.4 -30.1 1.6 91 90 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.920 111.0 46.0 -64.3 -44.7 24.4 -32.0 -1.6 92 91 A W H X S+ 0 0 26 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.871 109.3 56.1 -63.3 -38.3 23.5 -35.1 0.5 93 92 A D H X S+ 0 0 0 -4,-2.3 4,-1.9 -63,-0.2 -2,-0.2 0.944 110.0 46.4 -58.4 -46.6 21.6 -32.7 2.9 94 93 A I H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.914 110.4 51.0 -59.9 -49.8 19.6 -31.6 -0.2 95 94 A K H X S+ 0 0 50 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.900 110.2 49.8 -59.5 -45.5 18.9 -35.0 -1.6 96 95 A G H X>S+ 0 0 0 -4,-2.5 5,-2.1 2,-0.2 4,-0.6 0.902 112.8 47.3 -60.2 -41.1 17.6 -36.3 1.8 97 96 A K H <5S+ 0 0 71 -4,-1.9 3,-0.4 243,-0.3 -2,-0.2 0.903 112.0 49.4 -66.1 -41.8 15.3 -33.2 2.1 98 97 A V H <5S+ 0 0 78 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.917 118.8 38.7 -62.3 -45.0 14.0 -33.7 -1.5 99 98 A L H <5S- 0 0 105 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.463 110.2-125.2 -89.2 0.6 13.3 -37.4 -0.9 100 99 A G T <5S+ 0 0 47 -4,-0.6 -3,-0.2 -3,-0.4 -4,-0.1 0.702 71.5 100.2 65.4 27.3 12.1 -36.7 2.7 101 100 A V S > -c 341 0B 14 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.450 45.0-111.6 -65.4 151.3 17.7 -39.2 6.6 103 102 A V H >> S+ 0 0 0 238,-2.0 4,-1.9 1,-0.3 3,-0.9 0.842 114.6 63.3 -52.0 -41.8 20.8 -39.7 4.4 104 103 A Y H 34>S+ 0 0 24 1,-0.3 5,-2.3 237,-0.2 -1,-0.3 0.752 97.1 59.0 -56.8 -27.6 21.5 -43.2 5.9 105 104 A E H X45S+ 0 0 97 -3,-1.7 3,-0.8 3,-0.2 -1,-0.3 0.849 105.2 49.3 -71.7 -33.3 18.1 -44.3 4.4 106 105 A L H <<5S+ 0 0 54 -3,-0.9 2,-0.4 -4,-0.8 -2,-0.2 0.926 105.2 58.8 -67.2 -42.1 19.4 -43.4 0.9 107 106 A L T 3<5S- 0 0 53 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.1 -0.007 137.9 -71.9 -84.2 32.2 22.6 -45.3 1.5 108 107 A G T < 5S- 0 0 73 -3,-0.8 -3,-0.2 -2,-0.4 -2,-0.1 0.435 77.1 -98.9 98.1 0.9 20.9 -48.6 2.1 109 108 A G < - 0 0 9 -5,-2.3 -4,-0.1 -6,-0.2 -3,-0.0 -0.089 66.8 -16.6 82.3 180.0 19.4 -48.0 5.5 110 109 A L + 0 0 71 1,-0.1 193,-0.2 3,-0.0 3,-0.1 -0.236 34.7 176.5 -66.6 140.7 20.5 -48.9 9.0 111 110 A V S S+ 0 0 62 191,-2.0 2,-0.3 1,-0.3 192,-0.1 0.401 81.7 22.5-112.4 -11.0 23.1 -51.6 9.8 112 111 A R - 0 0 52 190,-0.6 -1,-0.3 1,-0.1 3,-0.1 -0.966 66.9-135.9-151.9 162.3 22.8 -50.7 13.5 113 112 A D S S+ 0 0 117 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.730 86.6 8.2 -96.3 -27.4 20.3 -49.1 15.9 114 113 A K - 0 0 88 221,-0.2 2,-0.5 188,-0.0 -1,-0.3 -0.968 69.4-128.4-151.4 161.0 22.6 -46.8 17.9 115 114 A M E -D 334 0C 1 219,-2.9 219,-2.6 -2,-0.3 2,-0.2 -0.966 17.6-127.4-125.6 124.1 26.2 -45.7 17.8 116 115 A R E -D 333 0C 75 -2,-0.5 194,-1.9 192,-0.3 2,-0.3 -0.422 32.6-168.4 -63.2 129.3 28.9 -45.8 20.6 117 116 A T E -f 310 0D 1 215,-2.3 2,-0.3 192,-0.2 194,-0.2 -0.740 12.7-158.7-115.1 166.1 30.6 -42.5 21.1 118 117 A Y E -f 311 0D 3 192,-1.7 194,-1.8 -2,-0.3 2,-0.4 -0.972 12.1-140.2-140.8 155.6 33.6 -41.2 23.0 119 118 A S E -fg 312 144D 6 24,-1.1 26,-2.1 -2,-0.3 2,-0.2 -0.939 16.4-120.3-121.7 137.0 34.5 -37.7 24.2 120 119 A W E - 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0 0 2 25,-2.2 28,-0.1 -2,-0.7 4,-0.0 -0.848 27.7-140.9 -89.8 142.3 49.7 -37.6 20.4 186 185 A H - 0 0 41 -2,-0.4 25,-0.1 26,-0.1 27,-0.1 -0.120 65.4 -72.3 -95.8 40.7 49.4 -35.1 17.6 187 186 A G S S+ 0 0 11 24,-1.9 27,-0.4 23,-0.3 185,-0.1 0.503 100.7 133.2 79.8 7.1 52.6 -36.4 16.0 188 187 A R + 0 0 28 23,-0.2 -33,-2.9 25,-0.1 2,-0.5 0.040 40.3 95.4 -85.9 25.8 54.5 -34.7 18.9 189 188 A V B S-n 155 0E 6 23,-0.9 25,-0.3 -35,-0.2 -33,-0.1 -0.977 77.9-123.1-114.0 129.2 56.7 -37.8 19.6 190 189 A S >> - 0 0 22 -35,-2.3 4,-1.3 -2,-0.5 3,-1.0 -0.456 24.8-115.6 -65.9 142.7 60.1 -37.9 18.0 191 190 A A H >> S+ 0 0 77 1,-0.2 4,-0.5 2,-0.2 3,-0.5 0.859 114.8 52.4 -47.8 -45.6 60.7 -41.0 15.8 192 191 A P H 34 S+ 0 0 103 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.807 112.9 44.8 -61.8 -29.4 63.5 -42.3 18.1 193 192 A M H <> S+ 0 0 41 -3,-1.0 4,-2.2 -38,-0.2 5,-0.2 0.616 89.8 87.5 -90.2 -14.5 61.2 -42.1 21.2 194 193 A A H S+ 0 0 65 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.872 113.3 50.9 -66.1 -36.0 60.0 -46.8 24.1 197 196 A L H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.951 110.8 47.4 -66.0 -49.0 56.9 -44.6 24.7 198 197 A I H X S+ 0 0 6 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.897 112.7 49.7 -58.8 -43.1 54.6 -47.2 23.3 199 198 A K H >< S+ 0 0 143 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.901 110.4 50.3 -63.4 -41.1 56.2 -50.0 25.3 200 199 A E H 3< S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.759 108.1 53.4 -68.6 -27.1 56.0 -47.9 28.5 201 200 A L H >< S+ 0 0 1 -4,-1.6 3,-1.5 1,-0.2 4,-0.3 0.672 85.9 88.0 -80.8 -16.3 52.3 -47.2 27.9 202 201 A E G X< S+ 0 0 39 -4,-0.8 3,-1.3 -3,-0.6 -1,-0.2 0.813 80.2 57.0 -54.6 -40.3 51.5 -51.0 27.5 203 202 A P G 3 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.763 106.8 51.3 -61.5 -21.9 50.8 -51.7 31.3 204 203 A Y G < S- 0 0 69 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.344 98.6-146.3-100.9 4.9 48.1 -49.0 31.2 205 204 A R < - 0 0 167 -3,-1.3 -24,-0.3 -4,-0.3 -3,-0.1 0.749 14.8-163.7 33.5 63.0 46.4 -50.5 28.2 206 205 A P - 0 0 5 0, 0.0 -24,-0.2 0, 0.0 3,-0.1 -0.305 28.9-116.8 -65.7 157.9 45.0 -47.5 26.3 207 206 A L S S- 0 0 47 -26,-2.8 2,-0.3 1,-0.2 -25,-0.2 0.846 87.2 -18.8 -67.3 -34.2 42.3 -48.3 23.7 208 207 A F - 0 0 2 -27,-0.4 -25,-2.1 22,-0.1 2,-0.5 -0.968 56.9-121.6-160.4 165.0 44.6 -47.1 20.9 209 208 A I E -ij 183 232D 0 22,-2.2 24,-2.7 -2,-0.3 2,-0.5 -0.981 33.3-155.4-113.1 115.9 47.6 -44.9 20.2 210 209 A E E -ij 184 233D 0 -27,-3.1 -25,-2.2 -2,-0.5 -23,-0.3 -0.836 62.7 -22.1-102.6 128.8 46.5 -42.1 17.7 211 210 A E + 0 0 2 22,-2.0 -24,-1.9 -2,-0.5 -1,-0.2 0.881 68.8 171.6 43.5 60.7 49.1 -40.4 15.5 212 211 A P S S+ 0 0 2 0, 0.0 -23,-0.9 0, 0.0 2,-0.3 0.978 70.6 5.8 -63.8 -52.6 52.2 -41.3 17.6 213 212 A V S S- 0 0 17 -25,-0.1 2,-0.7 -27,-0.1 -25,-0.1 -0.775 89.2-100.0-116.2 166.5 54.6 -40.0 14.9 214 213 A L - 0 0 41 -27,-0.4 2,-0.6 -25,-0.3 3,-0.1 -0.831 43.0-122.9 -88.4 115.9 53.8 -38.2 11.6 215 214 A A + 0 0 38 -2,-0.7 3,-0.1 1,-0.2 -1,-0.0 -0.431 38.9 167.5 -65.5 106.3 54.0 -40.8 8.8 216 215 A E S S+ 0 0 58 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.871 76.6 32.3 -77.1 -43.5 56.6 -39.8 6.2 217 216 A Q S > S- 0 0 57 -3,-0.1 3,-0.6 1,-0.1 4,-0.3 -0.764 78.0-128.6-112.1 157.2 56.4 -43.4 4.7 218 217 A A T 3> S+ 0 0 36 -2,-0.3 4,-0.5 1,-0.2 3,-0.4 0.690 106.5 64.6 -75.0 -18.8 53.5 -45.9 4.6 219 218 A E H 3> S+ 0 0 89 1,-0.2 4,-2.1 2,-0.1 -1,-0.2 0.715 80.6 80.8 -75.6 -24.4 55.8 -48.5 6.1 220 219 A T H <> S+ 0 0 37 -3,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.837 91.0 48.3 -57.7 -40.4 56.2 -46.7 9.5 221 220 A Y H > S+ 0 0 5 -3,-0.4 4,-2.8 -4,-0.3 -1,-0.2 0.891 110.9 51.0 -64.5 -43.6 52.8 -47.8 11.0 222 221 A A H X S+ 0 0 24 -4,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.891 111.1 49.0 -60.9 -41.3 53.5 -51.5 10.1 223 222 A R H < S+ 0 0 148 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.848 112.7 47.0 -68.4 -38.1 56.9 -51.3 11.7 224 223 A L H >< S+ 0 0 15 -4,-1.8 3,-1.5 -5,-0.2 4,-0.4 0.927 110.0 52.9 -67.5 -45.9 55.5 -49.7 14.9 225 224 A A H >< S+ 0 0 31 -4,-2.8 3,-1.0 1,-0.3 -2,-0.2 0.799 98.0 65.5 -62.8 -32.0 52.6 -52.3 15.1 226 225 A A T 3< S+ 0 0 89 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.741 103.3 48.7 -58.3 -26.0 55.1 -55.2 14.9 227 226 A H T < S+ 0 0 120 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.520 111.2 45.3 -92.4 -12.6 56.6 -54.1 18.3 228 227 A T < - 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