==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-AUG-05 2AW5 . COMPND 2 MOLECULE: NADP-DEPENDENT MALIC ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.PAPAGRIGORIOU,G.BERRIDGE,C.SMEE,J.BRAY,C.ARROWSMITH, . 1599 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1149 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 135 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 1.8 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 . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 3 0.2 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 . 99 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 199 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 587 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 1.8 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 12 4 8 5 1 5 5 3 3 8 0 0 4 6 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 3 18 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 6 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 3 0 0 3 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 15 A G >> 0 0 42 0, 0.0 4,-1.5 0, 0.0 3,-1.3 0.000 360.0 360.0 360.0-112.2 39.9 81.9 -54.9 2 16 A Y H 3> + 0 0 117 23,-0.4 4,-0.5 1,-0.3 24,-0.1 0.796 360.0 60.2 -47.2 -32.4 39.1 79.2 -52.3 3 17 A L H >> S+ 0 0 138 2,-0.2 3,-1.5 1,-0.2 4,-0.5 0.910 100.0 53.4 -63.9 -42.9 35.4 80.3 -52.5 4 18 A L H X4 S+ 0 0 39 -3,-1.3 3,-2.4 1,-0.3 6,-0.3 0.962 102.8 59.0 -55.7 -51.7 35.3 79.5 -56.1 5 19 A T H 3< S+ 0 0 31 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.713 106.5 48.9 -39.6 -29.0 36.5 76.0 -55.2 6 20 A R H << S+ 0 0 172 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.443 90.6 89.6-103.1 -3.0 33.4 75.7 -53.0 7 21 A N XX - 0 0 48 -3,-2.4 4,-1.7 -4,-0.5 3,-0.8 -0.858 63.7-158.1 -95.8 118.1 31.0 76.8 -55.6 8 22 A P T 34 S+ 0 0 23 0, 0.0 61,-2.0 0, 0.0 62,-0.5 0.700 86.7 60.1 -75.3 -15.6 29.8 73.7 -57.5 9 23 A H T 34 S+ 0 0 37 59,-0.2 61,-0.1 60,-0.1 -5,-0.0 0.791 120.3 24.2 -76.3 -29.1 28.6 75.7 -60.6 10 24 A L T <4 S+ 0 0 94 -3,-0.8 2,-0.3 -6,-0.3 -1,-0.1 0.484 90.8 111.8-118.7 -8.5 32.1 77.1 -61.3 11 25 A N < + 0 0 5 -4,-1.7 59,-0.2 -7,-0.2 -6,-0.1 -0.537 33.7 178.4 -71.0 133.6 34.6 74.7 -59.7 12 26 A K > - 0 0 24 1,-0.3 3,-2.5 -2,-0.3 -1,-0.1 0.381 18.1-159.2-110.7 0.8 36.7 72.7 -62.1 13 27 A D G > S- 0 0 34 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 -0.271 79.2 -5.1 47.4-133.1 38.9 70.7 -59.6 14 28 A L G 3 S+ 0 0 22 1,-0.3 21,-2.2 20,-0.1 -1,-0.3 0.558 125.7 76.0 -63.2 -9.7 42.1 69.6 -61.6 15 29 A A G < + 0 0 7 -3,-2.5 -1,-0.3 19,-0.2 -2,-0.2 0.652 65.1 113.8 -77.9 -12.2 40.6 71.1 -64.8 16 30 A F S < S- 0 0 4 -3,-2.1 19,-0.2 -4,-0.1 2,-0.0 -0.402 76.6-121.4 -55.0 125.0 41.5 74.5 -63.5 17 31 A T > - 0 0 54 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.351 16.1-111.9 -71.6 152.9 44.1 75.6 -66.0 18 32 A L H > S+ 0 0 107 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.824 120.2 47.8 -56.5 -31.8 47.6 76.4 -64.6 19 33 A E H >> S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 3,-0.6 0.982 109.2 52.0 -68.5 -59.6 47.0 80.1 -65.6 20 34 A E H 3> S+ 0 0 47 1,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.828 106.5 54.6 -41.8 -46.0 43.5 80.2 -64.0 21 35 A R H 3<>S+ 0 0 5 -4,-2.4 5,-2.8 2,-0.2 6,-1.2 0.929 112.0 44.0 -59.2 -45.8 44.9 78.9 -60.7 22 36 A Q H X<5S+ 0 0 70 -4,-1.2 3,-0.7 -3,-0.6 -2,-0.2 0.912 116.3 46.1 -66.4 -42.3 47.5 81.7 -60.7 23 37 A Q H 3<5S+ 0 0 88 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.860 117.9 43.2 -68.8 -32.3 44.9 84.4 -61.7 24 38 A L T 3<5S- 0 0 62 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.352 110.8-117.5 -97.9 6.1 42.3 83.2 -59.1 25 39 A N T < 5S+ 0 0 143 -3,-0.7 -23,-0.4 -4,-0.4 -3,-0.2 0.931 82.7 111.8 61.0 49.0 44.8 82.7 -56.2 26 40 A I >>< + 0 0 3 -5,-2.8 3,-2.7 -25,-0.1 4,-0.6 0.424 27.2 128.7-128.3 -4.2 44.3 78.9 -55.8 27 41 A H T 34 S+ 0 0 147 -6,-1.2 -9,-0.0 1,-0.3 -8,-0.0 -0.377 81.2 30.7 -47.3 105.1 47.7 77.6 -57.0 28 42 A G T 34 S+ 0 0 65 -2,-0.4 -1,-0.3 2,-0.4 -2,-0.0 -0.080 97.1 84.3 123.9 -28.5 48.5 75.4 -54.0 29 43 A L T <4 S+ 0 0 96 -3,-2.7 -2,-0.2 -8,-0.1 -3,-0.0 0.633 97.1 45.5 -68.3 -13.8 45.0 74.4 -53.1 30 44 A L S < S- 0 0 34 -4,-0.6 -2,-0.4 -17,-0.0 -17,-0.0 -0.912 93.8-101.3-130.0 152.8 45.3 71.7 -55.7 31 45 A P - 0 0 73 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.303 44.8 -99.9 -66.4 164.3 47.9 69.1 -56.7 32 46 A P S S+ 0 0 116 0, 0.0 -14,-0.0 0, 0.0 -2,-0.0 0.707 87.8 103.2 -61.1 -29.1 50.2 69.9 -59.6 33 47 A S - 0 0 72 1,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.311 57.6-151.6 -60.7 137.4 48.4 67.7 -62.3 34 48 A F - 0 0 99 -19,-0.1 2,-0.4 -17,-0.0 -19,-0.2 -0.895 16.4-162.9 -95.0 141.8 46.2 69.5 -64.8 35 49 A N - 0 0 14 -21,-2.2 -2,-0.0 -2,-0.4 0, 0.0 -0.975 13.6-138.2-131.3 121.9 43.3 67.2 -66.1 36 50 A S > - 0 0 36 -2,-0.4 4,-2.2 1,-0.1 3,-0.4 -0.242 40.8-101.0 -57.6 163.1 41.1 67.6 -69.2 37 51 A Q H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.821 124.1 58.6 -61.0 -30.8 37.5 66.9 -68.6 38 52 A E H > S+ 0 0 108 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.853 105.8 45.8 -69.9 -40.7 38.1 63.5 -70.2 39 53 A I H > S+ 0 0 76 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.880 110.8 55.5 -67.5 -37.1 40.8 62.4 -67.7 40 54 A Q H X S+ 0 0 5 -4,-2.2 4,-2.1 2,-0.2 3,-0.3 0.962 107.9 48.0 -57.1 -46.9 38.4 63.7 -65.0 41 55 A V H X S+ 0 0 15 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.902 106.2 57.3 -62.2 -43.0 35.7 61.4 -66.3 42 56 A L H X S+ 0 0 107 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.888 107.5 48.5 -52.3 -45.4 38.0 58.4 -66.4 43 57 A R H X S+ 0 0 119 -4,-1.8 4,-2.8 -3,-0.3 5,-0.2 0.976 112.6 46.5 -59.2 -56.9 38.8 58.9 -62.7 44 58 A V H X S+ 0 0 17 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.903 113.8 49.4 -54.5 -42.7 35.1 59.1 -61.7 45 59 A V H X S+ 0 0 31 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.923 108.1 52.8 -67.2 -40.9 34.3 56.1 -63.8 46 60 A K H X S+ 0 0 102 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.969 112.9 45.0 -58.7 -52.9 37.1 54.0 -62.3 47 61 A N H X S+ 0 0 77 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.964 108.1 57.7 -47.8 -59.6 35.8 54.8 -58.9 48 62 A F H >< S+ 0 0 7 -4,-3.2 3,-0.5 1,-0.2 -1,-0.2 0.868 111.9 42.8 -39.4 -52.5 32.2 54.1 -60.0 49 63 A E H 3< S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.923 106.3 57.2 -59.7 -55.5 33.4 50.6 -61.0 50 64 A H H 3< S+ 0 0 95 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.704 88.9 101.6 -56.6 -18.0 35.6 49.7 -58.0 51 65 A L S << S- 0 0 54 -4,-1.4 6,-0.1 -3,-0.5 3,-0.0 -0.342 72.3-133.7 -75.0 153.3 32.5 50.3 -55.7 52 66 A N S S+ 0 0 110 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.766 76.8 23.0 -83.0 -30.7 30.5 47.4 -54.3 53 67 A S > - 0 0 23 1,-0.1 4,-1.9 903,-0.0 3,-0.5 -0.954 67.9-120.9-138.3 157.1 26.9 48.5 -54.8 54 68 A D H > S+ 0 0 54 -2,-0.3 4,-2.9 905,-0.3 5,-0.2 0.812 115.5 62.7 -62.8 -32.8 24.8 50.8 -57.1 55 69 A F H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.898 103.7 47.0 -57.1 -41.0 23.7 52.4 -53.9 56 70 A D H > S+ 0 0 58 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.883 110.4 53.2 -71.1 -35.9 27.4 53.4 -53.3 57 71 A R H X S+ 0 0 22 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.892 106.7 52.4 -63.0 -40.5 27.6 54.6 -56.9 58 72 A Y H X S+ 0 0 11 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.972 110.6 48.1 -55.2 -52.3 24.5 56.8 -56.3 59 73 A L H X S+ 0 0 40 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.861 110.6 51.6 -58.7 -36.3 26.3 58.2 -53.3 60 74 A L H X S+ 0 0 39 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.967 113.1 43.6 -62.7 -52.0 29.5 58.8 -55.3 61 75 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.826 112.0 52.9 -68.4 -33.6 27.7 60.7 -58.1 62 76 A M H X S+ 0 0 24 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.928 108.6 49.4 -68.5 -39.5 25.6 62.7 -55.7 63 77 A D H X S+ 0 0 59 -4,-2.0 4,-0.9 -5,-0.3 -2,-0.2 0.941 110.3 52.8 -62.1 -41.1 28.6 63.9 -53.8 64 78 A L H >X S+ 0 0 3 -4,-2.2 4,-2.9 1,-0.2 3,-0.6 0.865 105.8 53.0 -61.4 -38.4 30.1 64.8 -57.2 65 79 A Q H 3< S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.895 107.0 52.9 -59.9 -38.0 27.0 66.8 -58.1 66 80 A D H 3< S+ 0 0 70 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.696 121.3 31.0 -75.4 -12.9 27.4 68.7 -54.8 67 81 A R H << S+ 0 0 111 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.705 132.7 13.7-115.4 -33.6 31.1 69.6 -55.7 68 82 A N X + 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 -59,-0.2 -0.604 58.6 179.8-153.4 84.0 31.5 69.9 -59.6 69 83 A E H > S+ 0 0 8 -61,-2.0 4,-2.9 -4,-0.2 5,-0.3 0.892 81.8 53.7 -55.4 -50.4 28.2 70.1 -61.4 70 84 A K H > S+ 0 0 27 -62,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.932 113.7 44.6 -50.5 -47.3 29.7 70.4 -65.0 71 85 A L H > S+ 0 0 7 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.899 109.9 55.7 -67.9 -41.3 31.7 67.2 -64.3 72 86 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 -8,-0.3 -2,-0.2 0.976 113.9 39.8 -49.4 -58.3 28.6 65.5 -62.8 73 87 A Y H X S+ 0 0 6 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.823 112.9 56.2 -68.9 -31.3 26.5 66.2 -65.9 74 88 A R H X S+ 0 0 51 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.952 107.7 48.6 -59.8 -50.0 29.5 65.3 -68.1 75 89 A V H >< S+ 0 0 0 -4,-3.1 3,-0.7 1,-0.2 -2,-0.2 0.952 112.8 48.5 -55.7 -49.9 29.8 61.9 -66.5 76 90 A L H 3< S+ 0 0 5 -4,-2.4 7,-0.3 1,-0.2 -1,-0.2 0.865 110.9 48.3 -60.2 -40.4 26.1 61.3 -66.9 77 91 A T H 3< 0 0 42 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.672 360.0 360.0 -77.5 -15.0 26.0 62.3 -70.6 78 92 A S << 0 0 75 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.649 360.0 360.0 -72.5 360.0 29.0 60.1 -71.4 79 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 80 94 A I > 0 0 19 0, 0.0 4,-2.7 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -38.7 23.3 57.8 -69.8 81 95 A E T 4 + 0 0 125 1,-0.2 -4,-0.1 2,-0.2 -5,-0.0 0.901 360.0 39.7 -60.4 -37.1 22.3 54.2 -70.2 82 96 A K T 4 S+ 0 0 98 -6,-0.1 -1,-0.2 1,-0.1 4,-0.1 0.904 125.0 34.2 -75.6 -44.5 24.8 53.3 -67.6 83 97 A F T >> S+ 0 0 6 -7,-0.3 4,-2.5 1,-0.2 3,-1.3 0.718 99.0 72.7 -94.7 -25.4 24.2 56.2 -65.2 84 98 A M H 3X S+ 0 0 14 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.910 96.7 53.8 -57.6 -44.3 20.4 57.0 -65.4 85 99 A P H 34 S+ 0 0 45 0, 0.0 6,-1.7 0, 0.0 -1,-0.3 0.696 112.3 47.9 -58.5 -17.0 19.5 53.8 -63.4 86 100 A I H <4 S+ 0 0 4 -3,-1.3 -2,-0.2 5,-0.1 -3,-0.1 0.898 116.9 37.3 -90.1 -47.2 22.0 55.0 -60.7 87 101 A V H < S+ 0 0 0 -4,-2.5 -3,-0.2 2,-0.1 74,-0.1 0.732 131.8 13.7 -82.6 -24.1 20.9 58.6 -60.4 88 102 A Y S X S+ 0 0 19 -4,-2.2 4,-3.1 -5,-0.3 5,-0.3 -0.242 104.4 19.4-123.4-142.7 17.2 57.9 -60.8 89 103 A T T 4 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 -0.453 114.9 16.2 -75.1 137.0 14.9 54.8 -60.8 90 104 A P T >> S+ 0 0 83 0, 0.0 3,-2.0 0, 0.0 4,-0.9 -0.981 132.5 40.3 -85.9 -30.5 15.5 52.0 -59.6 91 105 A T H 3> S+ 0 0 14 -6,-1.7 4,-2.0 1,-0.3 3,-0.3 0.845 105.9 65.4 -57.5 -33.1 18.4 53.0 -57.4 92 106 A V H 3X S+ 0 0 0 -4,-3.1 4,-2.1 -7,-0.2 -1,-0.3 0.765 95.2 60.9 -65.4 -18.3 16.8 56.3 -56.3 93 107 A G H <> S+ 0 0 3 -3,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.950 103.8 47.4 -66.0 -49.3 14.1 54.2 -54.6 94 108 A L H X S+ 0 0 40 -4,-0.9 4,-1.7 -3,-0.3 -2,-0.2 0.913 111.0 54.1 -58.0 -41.1 16.7 52.6 -52.3 95 109 A A H < S+ 0 0 0 -4,-2.0 4,-0.2 2,-0.2 -1,-0.2 0.903 108.3 47.8 -59.3 -43.0 18.1 56.1 -51.7 96 110 A C H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 4,-0.3 0.953 108.2 54.5 -66.0 -46.5 14.7 57.4 -50.6 97 111 A Q H 3< S+ 0 0 88 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.878 120.0 34.6 -47.0 -39.6 14.2 54.4 -48.3 98 112 A Q T 3X S+ 0 0 79 -4,-1.7 4,-2.5 -5,-0.2 3,-0.5 0.268 82.1 114.5-102.5 8.9 17.5 55.3 -46.7 99 113 A Y H <> S+ 0 0 23 -3,-1.8 4,-0.9 1,-0.3 -1,-0.2 0.768 78.6 49.6 -58.0 -29.4 17.3 59.1 -47.0 100 114 A S H 4 S+ 0 0 12 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.869 113.7 44.3 -80.8 -34.8 17.2 59.6 -43.2 101 115 A L H 4 S+ 0 0 116 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.930 124.3 35.4 -63.0 -43.1 20.2 57.3 -42.5 102 116 A V H < S+ 0 0 18 -4,-2.5 -2,-0.2 -7,-0.2 -1,-0.2 0.408 78.8 141.9-103.0 -2.1 22.2 58.7 -45.3 103 117 A F < + 0 0 85 -4,-0.9 -3,-0.1 -5,-0.2 -4,-0.0 -0.188 16.7 144.3 -50.3 120.0 21.2 62.4 -45.3 104 118 A R + 0 0 166 1,-0.2 -1,-0.1 -5,-0.0 -41,-0.0 0.444 58.8 11.7-121.3 -98.3 24.3 64.6 -46.0 105 119 A K S S- 0 0 47 1,-0.0 -1,-0.2 0, 0.0 -39,-0.0 -0.760 80.7-128.9 -97.0 105.8 24.3 67.9 -48.0 106 120 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.275 26.1-175.4 -58.9 137.4 20.7 69.0 -48.6 107 121 A R + 0 0 55 2,-0.0 50,-0.1 68,-0.0 68,-0.0 -0.876 49.3 19.8-117.2 158.8 19.5 69.8 -52.1 108 122 A G S S- 0 0 11 -2,-0.3 2,-0.5 48,-0.1 69,-0.2 -0.012 89.9 -64.4 75.8 178.2 16.1 71.2 -52.8 109 123 A L E -a 177 0A 13 67,-2.4 69,-2.3 44,-0.1 2,-0.6 -0.920 32.1-152.4-110.9 128.5 13.4 72.9 -50.8 110 124 A F E -a 178 0A 67 -2,-0.5 2,-0.5 67,-0.2 69,-0.2 -0.898 18.1-177.7 -99.0 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455 A S G 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.545 78.8 67.7 -78.9 -4.6 12.7 59.9 -70.0 438 456 A Y G <4 S+ 0 0 6 -3,-2.5 -1,-0.3 3,-0.1 -2,-0.2 0.665 115.6 29.9 -70.3 -19.0 12.2 59.7 -73.8 439 457 A V T <> S+ 0 0 0 -3,-1.7 4,-2.2 -4,-0.3 3,-0.4 0.884 110.0 53.2-108.0 -61.1 9.3 62.2 -73.0 440 458 A F H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.800 104.6 52.7 -61.1 -37.9 9.7 64.6 -70.0 441 459 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.933 114.0 42.2 -65.2 -42.9 13.1 66.1 -70.8 442 460 A G H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.856 115.1 50.1 -71.5 -37.3 12.1 67.2 -74.3 443 461 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.961 111.7 47.9 -63.1 -51.4 8.7 68.4 -73.3 444 462 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.925 113.0 49.1 -56.4 -44.0 10.0 70.5 -70.5 445 463 A L H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.920 114.6 43.8 -60.9 -49.1 12.6 72.0 -72.7 446 464 A G H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 6,-0.2 0.933 115.1 47.7 -59.7 -48.8 10.2 72.8 -75.5 447 465 A 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-61.8 -50.1 24.0 40.1 -17.8 578 58 B V H X S+ 0 0 14 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.940 113.9 48.7 -56.3 -52.1 23.4 36.8 -19.5 579 59 B V H X S+ 0 0 32 -4,-3.3 4,-2.7 2,-0.2 -1,-0.2 0.890 108.7 54.6 -63.4 -38.1 24.2 38.1 -23.0 580 60 B K H X S+ 0 0 57 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.2 0.971 111.5 43.3 -55.5 -58.1 27.4 39.8 -21.6 581 61 B N H >< S+ 0 0 29 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.917 114.1 53.1 -52.8 -45.6 28.6 36.4 -20.2 582 62 B F H >< S+ 0 0 6 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.902 103.6 56.7 -54.6 -45.6 27.5 34.7 -23.4 583 63 B E H 3< S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.717 110.7 41.6 -73.1 -18.9 29.5 37.1 -25.6 584 64 B H T << S+ 0 0 121 -4,-1.1 -1,-0.2 -3,-0.7 2,-0.2 0.183 82.7 108.0-119.9 29.8 32.9 36.4 -23.9 585 65 B L S < S- 0 0 41 -3,-1.1 6,-0.0 -4,-0.3 3,-0.0 -0.595 73.0-123.6 -78.8 159.8 32.9 32.7 -23.4 586 66 B N S S+ 0 0 127 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 0.807 78.5 24.0 -79.2 -34.8 35.3 30.9 -25.8 587 67 B S S > S- 0 0 42 1,-0.1 4,-1.9 -3,-0.0 5,-0.1 -0.856 72.6-113.5-132.8 164.4 33.1 28.4 -27.6 588 68 B D H > S+ 0 0 82 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.864 116.7 58.1 -63.4 -31.8 29.5 27.7 -28.6 589 69 B F H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.936 103.0 50.8 -67.5 -45.5 29.6 24.7 -26.3 590 70 B D H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 110.9 50.8 -56.5 -44.9 30.4 26.9 -23.3 591 71 B R H X S+ 0 0 35 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.858 106.6 53.5 -57.6 -40.7 27.5 29.1 -24.4 592 72 B Y H X S+ 0 0 10 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.926 110.1 48.1 -62.7 -40.2 25.2 26.1 -24.6 593 73 B L H X S+ 0 0 24 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.873 108.9 53.5 -69.5 -37.0 26.2 25.2 -21.0 594 74 B L H X S+ 0 0 31 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.937 115.0 41.3 -57.8 -42.6 25.6 28.7 -19.9 595 75 B L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.910 110.6 53.2 -79.9 -42.7 22.1 28.6 -21.3 596 76 B M H X S+ 0 0 6 -4,-3.0 4,-1.4 2,-0.2 -1,-0.2 0.823 110.5 51.0 -59.1 -29.2 21.2 25.2 -20.2 597 77 B D H X S+ 0 0 24 -4,-1.7 4,-0.5 -5,-0.2 -2,-0.2 0.903 108.4 50.8 -73.5 -40.0 22.2 26.4 -16.7 598 78 B L H >X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 3,-1.1 0.903 108.0 54.4 -57.6 -43.2 19.9 29.4 -17.2 599 79 B Q H 3< S+ 0 0 25 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.894 107.5 49.5 -56.7 -39.6 17.1 27.0 -18.2 600 80 B D H 3< S+ 0 0 36 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.505 120.8 34.0 -85.5 -1.2 17.5 25.0 -15.0 601 81 B R H << S+ 0 0 28 -3,-1.1 2,-0.2 -4,-0.5 -2,-0.2 0.681 132.4 12.3-118.7 -40.3 17.4 28.0 -12.7 602 82 B N X - 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -59,-0.2 -0.709 60.6-177.6-149.9 92.0 15.1 30.6 -14.2 603 83 B E H > S+ 0 0 13 -61,-2.9 4,-2.6 -2,-0.2 5,-0.2 0.878 82.7 51.3 -60.8 -50.8 12.9 29.3 -17.1 604 84 B K H > S+ 0 0 13 -62,-0.5 4,-2.6 -59,-0.2 -1,-0.2 0.896 111.9 48.4 -55.2 -44.6 11.1 32.6 -18.0 605 85 B L H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.935 108.1 56.4 -63.5 -45.1 14.5 34.4 -18.2 606 86 B F H X S+ 0 0 0 -4,-2.4 4,-2.2 -8,-0.4 -2,-0.2 0.954 111.6 41.6 -46.3 -56.4 15.8 31.5 -20.4 607 87 B Y H X S+ 0 0 6 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.894 109.0 57.8 -72.1 -32.9 13.0 32.0 -22.9 608 88 B R H X S+ 0 0 72 -4,-2.6 4,-1.5 455,-0.2 -1,-0.2 0.934 109.3 47.9 -54.8 -43.7 13.2 35.8 -22.8 609 89 B V H >X S+ 0 0 0 -4,-2.5 4,-0.6 2,-0.2 3,-0.6 0.974 113.1 45.9 -61.3 -55.5 16.8 35.4 -23.8 610 90 B L H >< S+ 0 0 4 -4,-2.2 3,-1.1 1,-0.2 7,-0.3 0.902 116.2 45.9 -52.5 -45.4 16.1 32.9 -26.7 611 91 B T H 3< S+ 0 0 45 -4,-3.0 3,-0.5 1,-0.3 -1,-0.2 0.693 98.4 69.8 -78.4 -19.0 13.2 35.0 -27.9 612 92 B S H << S+ 0 0 50 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.643 127.7 0.4 -70.6 -17.2 15.1 38.3 -27.8 613 93 B D XX + 0 0 70 -3,-1.1 4,-1.6 -4,-0.6 3,-1.4 -0.230 68.4 173.3-168.9 73.1 17.2 37.0 -30.7 614 94 B I H 3> S+ 0 0 15 -3,-0.5 4,-2.6 1,-0.3 -3,-0.1 0.813 78.5 62.3 -60.2 -30.7 16.2 33.6 -31.9 615 95 B E H 34 S+ 0 0 117 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.810 109.9 40.7 -66.0 -29.3 18.6 33.7 -34.9 616 96 B K H <4 S+ 0 0 69 -3,-1.4 -1,-0.2 -6,-0.2 -2,-0.2 0.731 122.6 37.8 -90.3 -28.1 21.6 33.9 -32.5 617 97 B F H >X S+ 0 0 1 -4,-1.6 4,-2.2 -7,-0.3 3,-1.6 0.773 97.9 73.4 -98.4 -25.1 20.4 31.4 -29.8 618 98 B M H 3X S+ 0 0 9 -4,-2.6 4,-1.7 1,-0.3 -3,-0.1 0.890 97.2 51.4 -53.3 -42.6 18.7 28.7 -31.9 619 99 B P H 34 S+ 0 0 43 0, 0.0 6,-1.9 0, 0.0 -1,-0.3 0.606 112.2 49.4 -72.7 -8.6 22.1 27.4 -33.2 620 100 B I H <4 S+ 0 0 8 -3,-1.6 -2,-0.2 5,-0.1 -3,-0.1 0.873 117.0 34.5 -90.6 -50.3 23.3 27.2 -29.5 621 101 B V H < S+ 0 0 0 -4,-2.2 -3,-0.2 2,-0.1 74,-0.1 0.703 134.9 9.9 -81.3 -22.6 20.4 25.3 -27.8 622 102 B Y S X S+ 0 0 19 -4,-1.7 4,-3.3 -5,-0.4 5,-0.3 -0.171 105.4 31.5-128.3-133.9 19.7 23.1 -30.8 623 103 B T T 4 S+ 0 0 59 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 -0.517 115.8 6.3 -87.3 136.6 21.4 22.5 -34.1 624 104 B P T >> S+ 0 0 80 0, 0.0 3,-0.9 0, 0.0 4,-0.7 -0.996 132.6 44.3 -88.3 -14.6 24.3 22.5 -34.7 625 105 B T H >> S+ 0 0 7 -6,-1.9 4,-1.9 1,-0.2 3,-0.9 0.844 104.3 62.8 -65.0 -34.2 25.7 23.0 -31.1 626 106 B V H 3X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.3 -1,-0.2 0.826 94.9 63.8 -62.6 -28.8 23.4 20.5 -29.5 627 107 B G H <> S+ 0 0 3 -3,-0.9 4,-1.6 -5,-0.3 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-3,-1.6 415,-0.3 -4,-0.5 -1,-0.3 0.745 78.0 95.1 -64.9 -26.1 8.5 10.0 -11.6 660 140 B W S < S- 0 0 43 -3,-2.2 438,-0.0 -4,-0.3 -17,-0.0 -0.557 74.7-143.1 -74.5 122.0 7.9 13.0 -13.8 661 141 B P S S+ 0 0 58 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.385 74.3 84.1 -76.0 7.0 6.7 15.8 -11.5 662 142 B E - 0 0 36 1,-0.1 -2,-0.1 45,-0.0 3,-0.1 -0.931 55.2-166.6-109.6 137.3 4.2 17.3 -14.0 663 143 B D S S+ 0 0 82 -2,-0.4 2,-0.7 1,-0.2 -1,-0.1 0.730 73.8 61.0 -90.0 -25.6 0.7 15.9 -14.3 664 144 B V + 0 0 84 42,-0.2 2,-0.5 44,-0.0 -1,-0.2 -0.882 59.5 170.2-114.5 106.2 -0.3 17.6 -17.6 665 145 B I + 0 0 5 -2,-0.7 43,-0.2 1,-0.1 42,-0.1 -0.968 12.2 165.6-119.0 124.9 1.8 16.9 -20.7 666 146 B K + 0 0 78 41,-2.0 95,-2.4 -2,-0.5 2,-0.3 0.446 69.0 37.8-111.2 -8.5 0.6 18.0 -24.1 667 147 B A E +pq 708 761F 0 40,-1.9 42,-2.1 93,-0.2 2,-0.4 -0.965 58.3 178.3-152.1 131.2 3.8 17.5 -26.0 668 148 B I E -pq 709 762F 0 93,-2.1 95,-2.8 -2,-0.3 2,-0.4 -0.981 11.7-160.3-130.6 140.3 6.6 14.9 -26.0 669 149 B V E -pq 710 763F 0 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