==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JAN-11 2Y42 . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR E.GRACZER,A.MERLIN,R.K.SINGH,K.MANIKANDAN,P.ZAVODSKY,M.S.WEI . 1404 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1036 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 7.5 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 . 4 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 . 74 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 509 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 0 0 3 0 4 5 1 7 3 5 0 4 6 1 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 7 7 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 5 2 5 0 0 4 0 2 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 2 0 0 0 0 0 4 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 S 0 0 104 0, 0.0 2,-0.2 0, 0.0 34,-0.2 0.000 360.0 360.0 360.0 -65.2 -14.6 -12.3 44.9 2 1 A M E -a 35 0A 5 32,-1.1 34,-2.7 2,-0.0 2,-0.5 -0.699 360.0-175.3-144.2 85.5 -12.3 -9.7 43.3 3 2 A K E +a 36 0A 93 -2,-0.2 63,-1.6 32,-0.2 64,-0.8 -0.749 12.3 177.8 -92.7 126.0 -8.6 -9.7 44.3 4 3 A V E -ab 37 67A 5 32,-2.3 34,-1.5 -2,-0.5 2,-0.5 -0.985 25.5-151.8-137.2 126.6 -6.6 -6.8 42.9 5 4 A A E -ab 38 68A 1 62,-2.8 64,-3.3 -2,-0.4 2,-0.6 -0.882 18.8-156.7 -94.4 128.2 -2.9 -5.7 43.2 6 5 A V E +ab 39 69A 1 32,-2.2 34,-2.6 -2,-0.5 64,-0.2 -0.932 13.8 179.9-110.4 119.3 -2.7 -1.9 42.7 7 6 A L E + b 0 70A 0 62,-2.9 64,-2.8 -2,-0.6 32,-0.1 -0.802 7.2 169.1-120.3 89.9 0.7 -0.6 41.6 8 7 A P E + 0 0 25 0, 0.0 64,-1.5 0, 0.0 2,-0.2 0.831 18.1 170.8 -74.1 -31.8 0.5 3.1 41.2 9 8 A G E - b 0 72A 7 31,-0.4 2,-0.2 62,-0.2 64,-0.2 -0.387 37.3 -8.2 65.1-123.2 4.2 3.8 40.8 10 9 A D S > S- 0 0 6 62,-2.2 3,-1.6 -2,-0.2 2,-0.3 -0.696 97.6 -10.1-120.0 157.1 5.4 7.3 39.8 11 10 A G T 3 S- 0 0 33 1,-0.3 4,-0.3 -2,-0.2 266,-0.2 -0.408 127.7 -4.7 71.5-119.7 4.3 10.7 38.6 12 11 A I T >> S+ 0 0 9 264,-1.9 4,-2.5 -2,-0.3 3,-0.6 0.671 114.0 91.9 -84.9 -17.9 0.6 10.9 37.5 13 12 A G H <> S+ 0 0 0 -3,-1.6 4,-2.4 1,-0.3 5,-0.3 0.886 85.3 47.9 -35.8 -60.3 0.3 7.2 38.1 14 13 A P H 3> S+ 0 0 56 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.878 114.6 47.7 -55.0 -38.1 -0.8 7.6 41.7 15 14 A E H <> S+ 0 0 47 -3,-0.6 4,-1.8 -4,-0.3 -2,-0.2 0.966 115.4 40.8 -69.0 -56.7 -3.4 10.3 40.7 16 15 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.807 115.3 53.2 -64.7 -30.8 -5.0 8.5 37.8 17 16 A T H X S+ 0 0 2 -4,-2.4 4,-1.9 -5,-0.4 -1,-0.2 0.910 105.3 53.2 -68.8 -41.5 -5.0 5.2 39.7 18 17 A E H X S+ 0 0 71 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.893 106.8 54.4 -60.9 -38.8 -6.7 6.8 42.7 19 18 A A H X S+ 0 0 3 -4,-1.8 4,-1.7 1,-0.2 3,-0.2 0.916 106.0 50.8 -58.1 -49.5 -9.4 8.0 40.2 20 19 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.864 107.8 54.3 -55.0 -39.2 -10.0 4.4 38.9 21 20 A L H X S+ 0 0 7 -4,-1.9 4,-3.8 2,-0.2 5,-0.2 0.853 101.9 56.3 -66.9 -37.3 -10.4 3.2 42.5 22 21 A K H X S+ 0 0 56 -4,-1.6 4,-3.1 -3,-0.2 -1,-0.2 0.940 110.8 46.0 -56.9 -46.6 -13.1 5.7 43.2 23 22 A V H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.925 114.8 46.3 -62.0 -45.1 -14.9 4.2 40.2 24 23 A L H X S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.897 114.2 48.0 -66.6 -40.4 -14.2 0.7 41.5 25 24 A R H X S+ 0 0 90 -4,-3.8 4,-2.2 2,-0.2 -2,-0.2 0.933 109.2 53.3 -64.5 -44.2 -15.2 1.6 45.0 26 25 A A H X S+ 0 0 32 -4,-3.1 4,-1.9 -5,-0.2 -2,-0.2 0.892 114.0 44.1 -57.6 -39.9 -18.4 3.2 43.7 27 26 A L H X>S+ 0 0 7 -4,-2.0 4,-2.7 2,-0.2 5,-0.5 0.951 108.4 54.3 -68.2 -53.5 -19.2 0.0 41.9 28 27 A D H X5S+ 0 0 41 -4,-3.0 4,-3.0 1,-0.2 5,-0.5 0.916 112.4 46.6 -49.2 -47.6 -18.4 -2.4 44.6 29 28 A E H <5S+ 0 0 170 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.964 118.6 37.1 -60.8 -58.9 -20.8 -0.6 46.9 30 29 A A H <5S+ 0 0 80 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.684 132.3 29.0 -70.7 -17.7 -23.8 -0.3 44.6 31 30 A E H <5S- 0 0 96 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.546 99.8-124.5-120.5 -15.8 -23.3 -3.7 43.0 32 31 A G << + 0 0 61 -4,-3.0 -3,-0.2 -5,-0.5 -4,-0.2 0.967 44.6 161.4 71.6 59.2 -21.6 -5.8 45.7 33 32 A L - 0 0 25 -5,-0.5 3,-0.1 -6,-0.1 -5,-0.1 0.653 46.6-129.1 -85.9 -16.7 -18.5 -7.1 44.0 34 33 A G - 0 0 44 -6,-0.2 -32,-1.1 1,-0.2 2,-0.2 0.885 34.6-162.9 67.2 39.5 -16.6 -8.0 47.2 35 34 A L E -a 2 0A 28 -34,-0.2 2,-0.5 -11,-0.1 -1,-0.2 -0.340 13.1-175.4 -58.0 120.9 -13.6 -6.0 46.0 36 35 A A E +a 3 0A 49 -34,-2.7 -32,-2.3 -2,-0.2 2,-0.3 -0.985 14.9 158.4-119.8 120.2 -10.3 -6.8 47.9 37 36 A Y E -a 4 0A 79 -2,-0.5 2,-0.3 -34,-0.2 -32,-0.2 -0.980 21.7-167.8-138.7 157.1 -7.3 -4.8 47.0 38 37 A E E -a 5 0A 126 -34,-1.5 -32,-2.2 -2,-0.3 2,-0.4 -0.962 25.1-120.3-136.0 156.0 -4.0 -3.8 48.4 39 38 A V E -a 6 0A 87 -2,-0.3 -32,-0.2 -34,-0.2 -34,-0.0 -0.825 27.1-165.1-101.2 134.2 -1.4 -1.1 47.3 40 39 A F - 0 0 25 -34,-2.6 -31,-0.4 -2,-0.4 6,-0.1 -0.972 23.4-114.5-127.3 131.0 2.1 -2.1 46.4 41 40 A P + 0 0 45 0, 0.0 2,-0.3 0, 0.0 17,-0.1 -0.314 45.0 170.5 -59.4 138.7 5.3 -0.0 45.9 42 41 A F > - 0 0 0 12,-0.1 3,-1.2 -33,-0.1 12,-0.2 -0.992 37.0 -10.9-157.8 146.3 6.5 -0.0 42.3 43 42 A G T >> S- 0 0 0 10,-1.5 3,-2.6 -2,-0.3 4,-2.1 -0.301 124.4 -11.7 62.6-146.9 9.1 1.7 40.0 44 43 A G H 3> S+ 0 0 0 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.671 132.6 65.3 -59.5 -19.8 10.9 4.7 41.3 45 44 A A H <4 S+ 0 0 44 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.715 112.2 36.8 -72.5 -19.3 8.5 4.9 44.2 46 45 A A H X> S+ 0 0 0 -3,-2.6 4,-4.0 7,-0.2 3,-1.2 0.769 106.0 63.9 -99.5 -37.7 10.1 1.6 45.2 47 46 A I H 3< S+ 0 0 28 -4,-2.1 4,-0.4 1,-0.3 -3,-0.2 0.799 106.6 49.3 -52.4 -30.6 13.7 2.3 44.1 48 47 A D T 3< S+ 0 0 87 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.689 124.6 28.3 -78.6 -20.2 13.5 5.0 46.8 49 48 A A T <4 S+ 0 0 69 -3,-1.2 -2,-0.2 3,-0.2 -3,-0.1 0.642 132.9 25.4-119.2 -24.6 12.1 2.6 49.4 50 49 A F S < S- 0 0 106 -4,-4.0 -3,-0.2 2,-0.4 -2,-0.1 0.039 92.7-121.5-134.7 23.4 13.4 -0.9 48.6 51 50 A G S S+ 0 0 48 -4,-0.4 -4,-0.2 -5,-0.3 -3,-0.1 0.529 89.7 80.5 48.4 9.9 16.6 -0.2 46.6 52 51 A E S S- 0 0 99 -6,-0.6 -2,-0.4 -9,-0.1 -3,-0.2 -0.863 77.7-133.0-137.9 162.6 15.0 -2.1 43.8 53 52 A P S S+ 0 0 17 0, 0.0 -10,-1.5 0, 0.0 -7,-0.2 0.902 103.1 25.8 -88.0 -41.5 12.4 -1.5 41.0 54 53 A F S S- 0 0 13 -12,-0.2 -12,-0.1 -8,-0.1 5,-0.0 -0.741 92.1-168.7-125.0 80.7 10.2 -4.6 41.4 55 54 A P > - 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.248 31.9 -86.5 -73.6-177.3 10.6 -5.8 45.1 56 55 A E H > S+ 0 0 109 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.869 119.7 39.3 -63.5 -51.7 9.8 -8.8 47.4 57 56 A P H > S+ 0 0 46 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.864 119.2 49.7 -69.2 -32.4 6.2 -8.1 48.6 58 57 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.950 104.9 55.3 -70.0 -50.0 5.2 -6.7 45.2 59 58 A R H X S+ 0 0 107 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.793 119.0 36.7 -46.8 -30.4 6.6 -9.7 43.2 60 59 A K H X S+ 0 0 111 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.767 108.7 57.2-105.5 -34.7 4.4 -11.9 45.4 61 60 A G H X S+ 0 0 6 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.659 108.7 55.2 -64.5 -18.9 1.3 -9.8 45.8 62 61 A V H >< S+ 0 0 0 -4,-1.7 3,-0.7 -5,-0.2 -2,-0.2 0.934 107.6 44.4 -74.6 -51.6 1.3 -9.9 42.0 63 62 A E H 3< S+ 0 0 96 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.890 113.6 53.7 -60.5 -36.9 1.4 -13.7 41.9 64 63 A E H 3< S+ 0 0 110 -4,-2.1 -1,-0.2 203,-0.0 -2,-0.2 0.745 96.3 84.0 -68.9 -29.2 -1.3 -13.8 44.6 65 64 A A S << S- 0 0 10 -3,-0.7 -61,-0.2 -4,-0.7 3,-0.1 -0.245 71.8-138.1 -83.7 164.2 -3.8 -11.6 42.8 66 65 A E S S+ 0 0 94 -63,-1.6 2,-0.3 1,-0.3 -62,-0.2 0.603 91.4 5.0 -91.1 -19.3 -6.5 -12.3 40.2 67 66 A A E -b 4 0A 0 -64,-0.8 -62,-2.8 200,-0.1 2,-0.5 -0.984 63.1-134.6-160.3 158.8 -5.4 -9.0 38.5 68 67 A V E -bc 5 269A 0 200,-2.2 202,-2.9 -2,-0.3 2,-0.7 -0.982 10.5-160.9-119.2 122.1 -2.9 -6.1 38.5 69 68 A L E -bc 6 270A 0 -64,-3.3 -62,-2.9 -2,-0.5 2,-0.3 -0.915 21.1-166.0-101.4 107.9 -4.0 -2.5 38.1 70 69 A L E -b 7 0A 1 200,-3.0 224,-0.1 -2,-0.7 -64,-0.0 -0.729 17.2-169.6-101.4 143.1 -0.9 -0.6 37.1 71 70 A G E - 0 0 0 -64,-2.8 2,-0.3 -2,-0.3 -62,-0.2 0.624 46.5 -77.5 -88.0-111.9 -0.4 3.2 37.0 72 71 A S E -b 9 0A 8 -64,-1.5 -62,-2.2 -62,-0.2 2,-0.3 -0.978 39.0-146.7-156.5 157.9 2.8 4.3 35.3 73 72 A V + 0 0 6 -2,-0.3 203,-0.6 -64,-0.2 2,-0.1 -0.864 44.6 51.9-132.6 159.8 6.5 4.5 36.1 74 73 A G + 0 0 6 -2,-0.3 3,-0.1 201,-0.1 5,-0.1 -0.404 45.4 158.0 107.2 174.6 9.7 6.5 35.5 75 74 A G - 0 0 16 3,-0.2 3,-0.3 -2,-0.1 202,-0.1 -0.999 51.9 -57.7 165.1-162.1 10.5 10.2 35.9 76 75 A P S > S+ 0 0 66 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.938 119.8 57.1 -79.2 -47.6 13.0 13.1 36.4 77 76 A K T 3 S+ 0 0 149 1,-0.2 1257,-0.0 -3,-0.1 2,-0.0 0.496 106.9 52.8 -58.5 -8.5 14.6 11.9 39.6 78 77 A W T 3 S+ 0 0 42 -3,-0.3 2,-0.4 3,-0.0 3,-0.3 -0.364 74.5 142.5-132.1 55.3 15.6 8.5 38.0 79 78 A D < + 0 0 104 -3,-0.6 -5,-0.0 1,-0.2 7,-0.0 -0.844 61.3 5.3-109.6 133.8 17.5 9.2 34.8 80 79 A G S S+ 0 0 85 -2,-0.4 -1,-0.2 1,-0.2 6,-0.0 0.937 85.4 141.9 69.9 52.4 20.5 7.4 33.3 81 80 A L - 0 0 88 -3,-0.3 -1,-0.2 1,-0.2 5,-0.1 -0.772 53.7 -67.9-122.7 165.1 20.8 4.4 35.7 82 81 A P > - 0 0 72 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.005 33.8-119.9 -58.8 154.5 21.6 0.7 35.2 83 82 A R T 4 S+ 0 0 195 1,-0.2 6,-0.0 2,-0.2 3,-0.0 0.773 115.4 63.0 -55.9 -29.2 19.5 -1.9 33.3 84 83 A K T 4 S+ 0 0 181 1,-0.2 -1,-0.2 -32,-0.0 -3,-0.0 0.984 114.2 23.7 -53.1 -65.7 19.6 -3.5 36.8 85 84 A I T 4 S+ 0 0 48 -33,-0.1 -2,-0.2 -32,-0.1 -1,-0.2 0.356 90.9 134.4 -95.1 5.2 17.8 -0.9 38.8 86 85 A R >X - 0 0 106 -4,-1.1 4,-0.8 1,-0.1 3,-0.7 -0.284 50.6-147.0 -69.9 132.7 15.7 0.9 36.0 87 86 A P H >> S+ 0 0 5 0, 0.0 4,-1.4 0, 0.0 3,-1.0 0.918 101.2 56.8 -60.7 -42.2 12.0 1.8 36.5 88 87 A E H 34 S+ 0 0 103 1,-0.3 4,-0.4 2,-0.2 -2,-0.1 0.703 107.8 47.4 -66.8 -19.7 11.4 1.2 32.8 89 88 A T H <> S+ 0 0 15 -3,-0.7 4,-2.4 2,-0.2 -1,-0.3 0.542 96.6 70.4 -95.9 -10.0 12.7 -2.4 33.1 90 89 A G H S+ 0 0 103 -4,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.869 112.1 46.7 -77.1 -37.2 9.7 -5.6 31.7 93 92 A S H X S+ 0 0 67 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.932 113.2 50.4 -63.6 -48.8 10.3 -7.9 34.7 94 93 A L H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.952 113.6 44.8 -50.5 -56.4 6.7 -7.5 35.8 95 94 A R H <>S+ 0 0 64 -4,-2.2 5,-1.3 1,-0.2 -1,-0.2 0.796 115.6 47.3 -63.3 -33.2 5.4 -8.4 32.4 96 95 A K H ><5S+ 0 0 163 -4,-1.7 3,-2.7 1,-0.2 -1,-0.2 0.935 102.3 60.4 -74.3 -47.5 7.8 -11.3 31.9 97 96 A S H 3<5S+ 0 0 44 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.684 108.9 46.2 -56.5 -20.7 7.2 -13.0 35.3 98 97 A Q T 3<5S- 0 0 0 -4,-0.7 168,-3.1 -5,-0.2 167,-0.4 0.398 107.5-128.7-100.5 -0.3 3.6 -13.4 34.4 99 98 A D T < 5 - 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0 0 8 18,-2.7 17,-0.6 -2,-0.5 18,-0.2 -0.902 31.8-142.2 -94.8 102.9 -13.4 7.6 19.1 110 109 A F > - 0 0 6 -2,-0.8 3,-3.0 1,-0.1 4,-0.2 -0.276 28.8 -80.2 -66.0 148.3 -16.3 8.3 21.5 111 110 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 210,-0.0 -0.215 120.5 13.6 -45.6 130.2 -19.6 9.9 20.4 112 111 A G T 3 S+ 0 0 37 -3,-0.1 3,-0.4 1,-0.1 -2,-0.1 0.205 104.5 94.3 85.2 -13.9 -19.1 13.7 20.1 113 112 A L X + 0 0 5 -3,-3.0 3,-1.3 1,-0.2 4,-0.5 0.265 45.3 110.5 -96.6 15.2 -15.3 13.4 20.2 114 113 A E G > + 0 0 16 1,-0.3 3,-1.1 -4,-0.2 -1,-0.2 0.808 66.8 66.3 -57.8 -38.5 -14.8 13.3 16.4 115 114 A R G 3 S+ 0 0 133 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.770 93.9 61.2 -55.7 -31.0 -13.1 16.8 16.3 116 115 A L G < S+ 0 0 37 -3,-1.3 -1,-0.2 136,-0.1 -2,-0.2 0.789 86.2 91.1 -66.5 -33.0 -10.1 15.5 18.3 117 116 A S S < S- 0 0 2 -3,-1.1 134,-0.1 -4,-0.5 350,-0.1 -0.262 76.3-135.2 -65.2 145.7 -9.1 12.9 15.7 118 117 A P S S+ 0 0 10 0, 0.0 349,-2.3 0, 0.0 2,-0.2 0.667 88.1 85.4 -75.3 -10.1 -6.6 13.7 13.0 119 118 A L B S-J 466 0B 0 132,-0.4 347,-0.3 347,-0.2 -2,-0.1 -0.594 98.3 -93.8 -79.4 149.7 -9.0 12.0 10.6 120 119 A K >> - 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0 0 32 0, 0.0 8,-1.1 0, 0.0 7,-0.7 -0.371 19.7-124.7 -70.8 136.6 33.2 21.8 34.4 1377 324 D P > > - 0 0 0 0, 0.0 3,-2.3 0, 0.0 5,-2.0 -0.267 35.5 -92.5 -70.8 167.1 29.4 21.5 34.7 1378 325 D P G > 5S+ 0 0 50 0, 0.0 3,-1.6 0, 0.0 -40,-0.1 0.752 122.9 60.2 -53.1 -34.3 27.2 19.5 32.3 1379 326 D D G 3 5S+ 0 0 65 -42,-0.3 -71,-0.1 1,-0.3 -41,-0.0 0.642 103.6 53.5 -70.6 -11.8 26.4 22.4 30.0 1380 327 D L G < 5S- 0 0 5 -3,-2.3 -1,-0.3 -72,-0.0 3,-0.1 0.093 132.1 -94.2-104.3 20.9 30.2 22.7 29.4 1381 328 D G T < 5S+ 0 0 79 -3,-1.6 -2,-0.1 1,-0.2 2,-0.0 0.508 90.7 129.2 80.4 6.5 30.4 19.1 28.4 1382 329 D G < - 0 0 20 -5,-2.0 -1,-0.2 2,-0.1 -7,-0.0 -0.089 62.8-138.4 -94.6-175.1 31.3 18.3 32.0 1383 330 D S + 0 0 125 -7,-0.7 2,-0.4 -6,-0.1 -1,-0.0 -0.164 63.6 108.7-137.9 36.1 30.3 16.0 34.9 1384 331 D A - 0 0 13 -8,-1.1 -2,-0.1 -47,-0.1 2,-0.1 -0.965 57.2-134.1-120.8 137.7 30.3 18.3 37.9 1385 332 D G > - 0 0 23 -2,-0.4 4,-2.3 -8,-0.1 5,-0.3 -0.332 31.6 -95.8 -89.3 168.5 27.2 19.5 39.8 1386 333 D T H > S+ 0 0 12 -50,-1.6 4,-2.2 1,-0.2 5,-0.2 0.905 123.3 45.2 -44.6 -56.6 26.3 23.0 41.1 1387 334 D E H > S+ 0 0 126 -51,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.830 111.9 49.9 -62.2 -41.0 27.7 22.3 44.6 1388 335 D A H > S+ 0 0 51 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.929 112.4 47.9 -66.3 -47.2 31.0 20.6 43.5 1389 336 D F H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.854 109.9 52.5 -56.2 -44.0 31.8 23.5 41.1 1390 337 D T H X S+ 0 0 4 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.893 108.0 51.9 -63.1 -38.3 31.0 26.1 43.8 1391 338 D A H X S+ 0 0 46 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.859 106.6 53.7 -64.4 -36.2 33.4 24.4 46.1 1392 339 D T H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.914 105.5 53.3 -66.5 -39.8 36.0 24.5 43.4 1393 340 D V H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.948 110.6 47.3 -57.6 -48.0 35.6 28.3 43.1 1394 341 D L H X S+ 0 0 54 -4,-2.0 4,-3.8 2,-0.2 5,-0.3 0.910 108.6 54.8 -59.0 -43.9 36.1 28.7 46.9 1395 342 D R H X S+ 0 0 122 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.966 112.4 42.5 -56.9 -52.5 39.2 26.5 46.8 1396 343 D H H X S+ 0 0 40 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.872 114.9 51.8 -59.6 -40.6 40.8 28.7 44.1 1397 344 D L H < S+ 0 0 21 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.904 112.3 45.1 -56.7 -48.9 39.6 31.8 46.0 1398 345 D A H >X S+ 0 0 66 -4,-3.8 4,-1.4 1,-0.2 3,-1.1 0.936 115.6 46.2 -62.8 -48.6 41.1 30.5 49.3 1399 346 D A H 3X S+ 0 0 58 -4,-2.9 4,-1.1 1,-0.3 -2,-0.2 0.873 107.5 57.7 -63.8 -38.4 44.4 29.5 47.7 1400 347 D A H 3< S+ 0 0 57 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 0.002 113.0 39.4 -89.1 27.7 44.8 32.7 45.7 1401 348 D A H <4 S+ 0 0 43 -3,-1.1 -1,-0.2 4,-0.0 -2,-0.2 0.268 106.9 62.0-140.8 -20.5 44.6 34.8 48.9 1402 349 D L H < S+ 0 0 127 -4,-1.4 3,-0.3 1,-0.2 -2,-0.2 0.675 100.4 57.4 -74.4 -21.7 46.8 32.4 50.9 1403 350 D E S >< S+ 0 0 134 -4,-1.1 3,-0.8 1,-0.2 2,-0.3 0.607 89.4 73.5 -81.2 -17.1 49.4 33.2 48.2 1404 351 D H T 3 + 0 0 91 1,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.318 67.5 98.1 -84.7 45.3 48.9 36.9 49.3 1405 352 D H T 3 + 0 0 134 -2,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.375 57.5 87.1-100.8 -6.2 50.9 35.9 52.5 1406 353 D H < 0 0 128 -3,-0.8 -2,-0.1 1,-0.2 -1,-0.1 0.792 360.0 360.0 -63.1 -33.1 54.0 37.3 50.9 1407 354 D H 0 0 185 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.967 360.0 360.0 -59.7 360.0 53.3 40.9 52.2