==== 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 2Y41 . 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 . 692 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 6.9 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 0.3 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 . 44 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 2 0 0 2 0 2 2 3 2 2 1 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 4 4 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 PARALLEL BRIDGES PER LADDER . 1 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 0 122 0, 0.0 34,-0.2 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 162.5 -1.9 -8.5 28.5 2 1 A M E -a 35 0A 5 32,-1.1 34,-2.5 2,-0.0 2,-0.6 -0.565 360.0-173.4-153.7 76.4 -3.7 -11.8 27.6 3 2 A K E -a 36 0A 94 32,-0.2 63,-2.4 -2,-0.1 64,-1.2 -0.697 8.7-176.7 -86.0 116.5 -4.5 -12.0 23.9 4 3 A V E -ab 37 67A 3 32,-2.6 34,-1.6 -2,-0.6 2,-0.6 -0.948 21.5-151.8-119.9 125.2 -6.6 -15.0 23.0 5 4 A A E -ab 38 68A 1 62,-2.9 64,-2.6 -2,-0.4 2,-0.5 -0.850 20.3-157.7 -92.2 124.2 -7.8 -16.2 19.5 6 5 A V E -ab 39 69A 0 32,-3.2 34,-2.8 -2,-0.6 64,-0.2 -0.915 15.5-178.9-111.0 120.6 -11.1 -18.0 20.1 7 6 A L E - b 0 70A 0 62,-2.5 64,-3.0 -2,-0.5 32,-0.1 -0.838 0.5-179.6-119.8 87.2 -12.2 -20.5 17.4 8 7 A P E - 0 0 24 0, 0.0 64,-1.3 0, 0.0 9,-0.2 0.797 20.4-179.1 -59.0 -38.0 -15.6 -22.0 18.6 9 8 A G E - b 0 72A 11 31,-0.4 64,-0.2 62,-0.2 2,-0.2 -0.414 31.2 -26.3 75.5-141.5 -16.0 -24.3 15.6 10 9 A D S > S- 0 0 10 62,-2.6 3,-2.6 -2,-0.1 62,-0.3 -0.569 96.2 -7.0-115.8 171.0 -19.0 -26.6 15.1 11 10 A G T 3 S- 0 0 30 1,-0.3 4,-0.4 -2,-0.2 271,-0.2 -0.220 132.6 -2.6 49.7-119.1 -21.8 -28.4 16.9 12 11 A I T 3> S+ 0 0 8 264,-2.2 4,-2.9 1,-0.2 5,-0.3 0.578 112.9 95.8 -80.5 -5.3 -21.2 -28.2 20.7 13 12 A G H <> S+ 0 0 0 -3,-2.6 4,-2.3 1,-0.2 5,-0.2 0.910 84.7 43.9 -48.5 -57.4 -18.0 -26.3 20.1 14 13 A P H > S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.886 114.4 51.0 -60.2 -38.4 -19.6 -22.8 20.5 15 14 A E H > S+ 0 0 41 -4,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.946 115.0 40.4 -63.2 -53.3 -21.6 -23.9 23.6 16 15 A V H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.886 114.4 53.8 -66.2 -34.4 -18.6 -25.4 25.5 17 16 A T H X S+ 0 0 3 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.919 106.9 51.0 -65.3 -40.6 -16.3 -22.6 24.4 18 17 A E H X S+ 0 0 60 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.897 108.8 52.5 -64.6 -37.3 -18.8 -20.0 25.8 19 18 A A H X S+ 0 0 3 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.911 111.0 46.0 -61.4 -45.9 -18.8 -21.9 29.1 20 19 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.859 109.3 56.9 -64.7 -36.4 -15.0 -21.8 29.1 21 20 A L H X S+ 0 0 9 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.903 103.4 53.1 -61.5 -36.2 -15.3 -18.1 28.2 22 21 A K H X S+ 0 0 74 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.890 108.6 50.3 -66.5 -37.1 -17.5 -17.4 31.3 23 22 A V H X S+ 0 0 1 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.944 112.8 45.6 -66.0 -45.0 -14.8 -19.0 33.5 24 23 A L H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.931 112.7 50.3 -63.0 -46.4 -12.1 -16.8 32.0 25 24 A R H X S+ 0 0 78 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.882 109.4 51.2 -58.9 -41.7 -14.2 -13.6 32.2 26 25 A A H X S+ 0 0 41 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.852 113.3 45.5 -66.7 -31.7 -15.0 -14.3 35.9 27 26 A L H X S+ 0 0 8 -4,-1.6 4,-3.0 2,-0.2 5,-0.4 0.888 108.7 56.0 -76.7 -38.1 -11.2 -14.8 36.5 28 27 A D H X>S+ 0 0 33 -4,-2.8 4,-2.8 1,-0.2 5,-0.6 0.960 110.5 45.5 -55.8 -51.3 -10.3 -11.7 34.5 29 28 A E H <5S+ 0 0 166 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 118.0 42.5 -59.0 -41.6 -12.6 -9.6 36.7 30 29 A A H <5S+ 0 0 79 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.842 128.6 26.1 -78.4 -34.1 -11.3 -11.1 40.0 31 30 A E H <5S- 0 0 97 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.591 99.0-122.3-106.0 -15.8 -7.6 -11.1 39.2 32 31 A G T <5 + 0 0 63 -4,-2.8 -3,-0.2 -5,-0.4 -4,-0.2 0.949 46.3 165.7 71.0 52.2 -7.3 -8.2 36.6 33 32 A L < - 0 0 26 -5,-0.6 -5,-0.1 -6,-0.2 -4,-0.1 0.590 41.9-131.4 -75.8 -17.3 -5.8 -10.4 33.9 34 33 A G - 0 0 46 -6,-0.2 -32,-1.1 1,-0.2 2,-0.0 0.860 36.8-175.1 64.9 36.6 -6.3 -8.0 31.0 35 34 A L E -a 2 0A 24 -34,-0.2 2,-0.4 -11,-0.1 -32,-0.2 -0.352 10.6-178.2 -61.9 139.0 -7.9 -10.6 28.8 36 35 A A E -a 3 0A 55 -34,-2.5 -32,-2.6 -2,-0.0 2,-0.3 -0.955 7.5-178.5-139.6 119.3 -8.7 -9.6 25.3 37 36 A Y E -a 4 0A 88 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.825 14.2-168.7-121.3 163.9 -10.4 -12.1 23.0 38 37 A E E -a 5 0A 113 -34,-1.6 -32,-3.2 -2,-0.3 2,-0.4 -0.990 20.3-131.2-147.3 137.7 -11.6 -12.2 19.4 39 38 A V E -a 6 0A 84 -2,-0.3 -32,-0.2 -34,-0.2 -34,-0.0 -0.779 24.9-174.7 -95.0 132.7 -13.7 -14.9 17.7 40 39 A F - 0 0 26 -34,-2.8 -31,-0.4 -2,-0.4 2,-0.2 -0.935 28.4-108.2-125.7 149.9 -12.6 -16.4 14.4 41 40 A P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 17,-0.1 -0.539 45.4 160.4 -77.5 143.8 -14.3 -18.8 12.0 42 41 A F > + 0 0 1 -2,-0.2 3,-0.7 12,-0.1 12,-0.2 -0.979 42.9 3.1-157.2 145.3 -12.9 -22.3 11.8 43 42 A G T 3> S- 0 0 0 10,-2.1 4,-2.3 -2,-0.3 3,-0.4 -0.507 123.7 -6.3 81.5-146.9 -14.1 -25.7 10.7 44 43 A G H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 135.5 55.7 -52.9 -43.1 -17.5 -26.3 9.1 45 44 A A H <> S+ 0 0 46 -3,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.884 109.3 46.5 -59.5 -39.4 -18.4 -22.7 9.8 46 45 A A H >>S+ 0 0 0 -3,-0.4 4,-3.8 2,-0.2 5,-1.0 0.882 108.6 54.9 -73.0 -37.8 -15.3 -21.4 7.9 47 46 A I H X5S+ 0 0 17 -4,-2.3 4,-1.2 4,-0.3 -2,-0.2 0.929 111.7 45.0 -56.8 -45.3 -16.0 -23.8 4.9 48 47 A D H <5S+ 0 0 88 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.808 122.8 36.1 -70.7 -31.9 -19.5 -22.3 4.6 49 48 A A H <5S+ 0 0 71 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.852 138.7 10.3 -89.4 -36.8 -18.3 -18.7 4.9 50 49 A F H <5S- 0 0 110 -4,-3.8 -3,-0.2 2,-0.3 -2,-0.2 0.545 95.7-111.4-122.7 -12.0 -14.9 -18.8 3.1 51 50 A G S <> - 0 0 1 0, 0.0 4,-2.7 0, 0.0 3,-0.8 -0.203 38.0 -97.2 -76.4 163.2 -9.2 -19.3 6.3 56 55 A E H 3> S+ 0 0 120 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.832 119.9 50.1 -43.3 -57.3 -6.8 -16.3 6.0 57 56 A P H 3> S+ 0 0 62 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.854 115.3 46.9 -56.3 -32.8 -8.4 -14.0 8.7 58 57 A T H <> S+ 0 0 0 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.909 110.9 50.0 -74.0 -43.7 -8.3 -17.0 11.1 59 58 A R H X S+ 0 0 59 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.913 114.0 46.1 -62.1 -40.1 -4.8 -17.9 10.3 60 59 A K H X S+ 0 0 123 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.930 111.3 52.1 -66.0 -44.9 -3.8 -14.2 10.9 61 60 A G H X S+ 0 0 8 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.901 110.8 48.1 -59.1 -43.1 -5.8 -14.1 14.1 62 61 A V H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.945 111.0 49.9 -62.2 -47.8 -4.0 -17.2 15.4 63 62 A E H 3< S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.800 113.0 47.2 -64.3 -27.1 -0.5 -15.9 14.5 64 63 A E H 3< S+ 0 0 111 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.638 99.7 81.1 -90.6 -16.1 -1.1 -12.6 16.3 65 64 A A S << S- 0 0 11 -4,-1.0 -61,-0.2 -3,-0.7 3,-0.1 -0.362 75.7-133.1 -84.9 167.9 -2.6 -14.0 19.5 66 65 A E S S+ 0 0 94 -63,-2.4 2,-0.3 1,-0.3 -62,-0.2 0.612 88.6 4.2 -91.0 -19.8 -0.7 -15.4 22.5 67 66 A A E -b 4 0A 0 -64,-1.2 -62,-2.9 200,-0.2 2,-0.5 -0.990 64.8-131.1-161.3 159.0 -3.0 -18.4 22.7 68 67 A V E -bc 5 269A 0 200,-2.3 202,-2.8 -2,-0.3 2,-0.6 -0.975 7.0-161.7-119.5 128.7 -5.8 -20.1 20.9 69 68 A L E -bc 6 270A 2 -64,-2.6 -62,-2.5 -2,-0.5 2,-0.3 -0.955 24.0-167.7-103.7 114.9 -9.0 -21.4 22.7 70 69 A L E -b 7 0A 2 200,-3.0 224,-0.1 -2,-0.6 -64,-0.0 -0.815 15.1-163.0-112.4 141.8 -10.5 -23.9 20.3 71 70 A G E - 0 0 0 -64,-3.0 2,-0.3 -2,-0.3 -62,-0.2 0.613 45.7 -70.2 -83.4-117.9 -14.0 -25.5 20.3 72 71 A S E -b 9 0A 3 -64,-1.3 -62,-2.6 -62,-0.3 2,-0.3 -0.927 42.9-144.0-141.2 157.8 -14.6 -28.6 18.2 73 72 A V + 0 0 20 -2,-0.3 203,-0.5 -64,-0.2 -30,-0.1 -0.944 44.4 33.8-130.7 153.4 -14.9 -29.2 14.4 74 73 A G + 0 0 3 -2,-0.3 3,-0.1 201,-0.1 -2,-0.1 -0.281 35.9 172.8 104.3 171.8 -16.9 -31.3 12.0 75 74 A G > - 0 0 17 -2,-0.1 3,-1.7 -65,-0.1 4,-0.1 -0.724 53.6 -79.8 155.0 163.6 -20.3 -32.8 11.5 76 75 A P G > S+ 0 0 86 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.729 112.5 79.4 -61.1 -24.8 -22.3 -34.7 8.8 77 76 A K G 3 S+ 0 0 144 1,-0.3 -3,-0.0 -3,-0.1 0, 0.0 0.817 100.2 41.1 -50.2 -32.2 -23.1 -31.4 6.9 78 77 A W G X S+ 0 0 34 -3,-1.7 3,-1.6 2,-0.0 -1,-0.3 0.293 82.7 135.7-103.3 10.4 -19.6 -31.5 5.4 79 78 A D T < + 0 0 125 -3,-2.0 -5,-0.0 1,-0.2 0, 0.0 -0.350 68.3 25.6 -61.7 139.2 -19.3 -35.2 4.7 80 79 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.2 -2,-0.0 3,-0.1 0.336 83.0 143.9 88.8 -3.9 -17.8 -36.0 1.3 81 80 A L < - 0 0 56 -3,-1.6 -1,-0.3 1,-0.1 5,-0.1 -0.274 66.4 -86.6 -60.0 152.1 -15.8 -32.8 0.9 82 81 A P > - 0 0 83 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.427 43.9-115.5 -56.1 138.7 -12.5 -33.1 -0.9 83 82 A R G > S+ 0 0 43 1,-0.3 3,-1.7 2,-0.2 6,-0.2 0.824 109.6 69.2 -47.1 -37.7 -9.9 -34.0 1.8 84 83 A K G 3 S+ 0 0 178 1,-0.3 -1,-0.3 5,-0.1 -3,-0.0 0.724 110.5 31.6 -59.7 -21.5 -8.0 -30.7 1.4 85 84 A I G < S+ 0 0 51 -3,-2.2 -1,-0.3 -33,-0.1 -2,-0.2 0.156 84.6 128.8-123.8 17.3 -10.9 -28.7 2.9 86 85 A R S <> S- 0 0 20 -3,-1.7 4,-2.1 -4,-0.2 5,-0.2 -0.341 71.3-115.3 -67.1 155.9 -12.5 -31.1 5.4 87 86 A P H > S+ 0 0 4 0, 0.0 4,-1.4 0, 0.0 -44,-0.1 0.899 119.1 54.5 -58.6 -35.5 -13.0 -29.7 8.9 88 87 A E H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.850 105.2 51.2 -65.2 -39.8 -10.5 -32.3 10.1 89 88 A T H > S+ 0 0 28 -6,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.903 106.1 55.9 -67.0 -37.6 -7.9 -31.2 7.6 90 89 A G H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.900 107.0 50.8 -59.1 -36.6 -8.3 -27.6 8.8 91 90 A L H X S+ 0 0 22 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.925 111.5 45.5 -65.5 -49.5 -7.5 -28.8 12.3 92 91 A L H X S+ 0 0 12 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.865 111.2 55.1 -61.5 -35.2 -4.3 -30.6 11.1 93 92 A S H X S+ 0 0 39 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.886 107.1 48.9 -67.6 -36.7 -3.5 -27.5 9.2 94 93 A L H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.966 113.7 45.5 -62.8 -55.3 -3.8 -25.4 12.4 95 94 A R H <>S+ 0 0 12 -4,-2.3 5,-2.5 1,-0.2 3,-0.4 0.928 117.5 46.0 -53.8 -45.5 -1.6 -27.7 14.4 96 95 A K H ><5S+ 0 0 88 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.865 106.1 56.3 -67.9 -41.4 0.9 -27.8 11.5 97 96 A S H 3<5S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.766 115.8 38.2 -67.0 -25.6 1.0 -24.1 10.7 98 97 A Q T 3<5S- 0 0 12 -4,-1.4 168,-3.1 -3,-0.4 167,-0.3 0.328 108.0-128.5-102.9 4.5 2.1 -23.3 14.3 99 98 A D T < 5 + 0 0 31 -3,-1.0 166,-1.7 1,-0.2 2,-1.6 0.928 38.5 176.2 45.6 56.2 4.2 -26.5 14.4 100 99 A L < + 0 0 0 -5,-2.5 164,-0.3 164,-0.3 -1,-0.2 -0.641 8.2 164.0 -90.6 76.4 2.6 -27.6 17.6 101 100 A F + 0 0 25 -2,-1.6 34,-2.3 -3,-0.2 2,-0.6 0.657 53.6 69.3 -74.1 -17.0 4.5 -30.9 17.7 102 101 A A E -DE 134 263A 0 161,-2.6 161,-2.9 32,-0.2 2,-0.6 -0.899 61.3-172.9-112.5 107.9 3.7 -31.6 21.4 103 102 A N E -DE 133 262A 0 30,-2.4 30,-3.0 -2,-0.6 2,-0.6 -0.887 8.8-158.3-102.2 118.7 0.1 -32.5 22.3 104 103 A L E +DE 132 261A 8 157,-3.5 157,-2.0 -2,-0.6 28,-0.2 -0.867 14.8 173.9-102.3 123.3 -0.5 -32.8 26.0 105 104 A R E -D 131 0A 8 26,-2.3 26,-2.6 -2,-0.6 2,-0.6 -0.895 13.2-161.0-128.5 99.2 -3.5 -34.8 27.2 106 105 A P E -D 130 0A 26 0, 0.0 2,-0.6 0, 0.0 24,-0.2 -0.706 2.1-166.1 -85.4 123.9 -3.9 -35.3 30.9 107 106 A A E +D 129 0A 1 22,-2.7 22,-3.1 -2,-0.6 2,-0.4 -0.920 21.3 167.9-107.3 118.6 -6.1 -38.2 32.1 108 107 A K E -D 128 0A 63 -2,-0.6 2,-0.8 20,-0.2 20,-0.2 -0.990 33.5-149.6-140.5 131.5 -6.9 -37.8 35.8 109 108 A V - 0 0 6 18,-2.5 17,-0.5 -2,-0.4 5,-0.1 -0.889 30.7-134.7 -99.6 108.7 -9.3 -39.4 38.2 110 109 A F > - 0 0 27 -2,-0.8 3,-2.6 3,-0.1 4,-0.1 -0.332 32.2 -92.4 -64.3 138.7 -10.1 -36.8 40.8 111 110 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 14,-0.0 -0.296 114.9 21.2 -52.6 129.4 -10.0 -38.0 44.4 112 111 A G T 3 S+ 0 0 45 -3,-0.1 3,-0.4 209,-0.0 -2,-0.1 0.121 104.5 86.7 97.4 -18.4 -13.5 -39.1 45.4 113 112 A L X + 0 0 9 -3,-2.6 3,-1.4 1,-0.2 4,-0.5 0.157 45.0 111.3-100.6 16.6 -14.8 -39.6 41.8 114 113 A E G > + 0 0 20 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.776 67.9 73.6 -57.9 -30.0 -13.6 -43.2 41.2 115 114 A R G 3 S+ 0 0 129 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.813 91.0 54.8 -49.1 -41.7 -17.4 -44.1 41.2 116 115 A L G < S+ 0 0 33 -3,-1.4 -1,-0.2 136,-0.1 -2,-0.2 0.674 86.0 98.7 -71.6 -25.1 -17.8 -42.6 37.7 117 116 A S S < S- 0 0 2 -3,-1.0 134,-0.1 -4,-0.5 4,-0.1 -0.351 75.0-135.8 -65.2 144.4 -15.1 -44.6 36.0 118 117 A P S S+ 0 0 10 0, 0.0 349,-2.5 0, 0.0 352,-0.1 0.696 87.8 82.7 -70.5 -16.6 -16.2 -47.7 34.1 119 118 A L B S-J 466 0B 0 132,-0.3 347,-0.2 347,-0.2 -2,-0.1 -0.490 100.9 -86.7 -86.0 157.9 -13.3 -49.4 35.9 120 119 A K >> - 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0 0 38 0, 0.0 8,-1.9 0, 0.0 7,-1.0 -0.192 19.5-119.3 -61.1 150.6 -9.0 -70.5 39.0 672 324 B P > > - 0 0 1 0, 0.0 5,-2.4 0, 0.0 3,-1.7 -0.318 32.0 -94.4 -84.9 174.0 -5.3 -70.2 38.1 673 325 B P G > 5S+ 0 0 53 0, 0.0 3,-1.1 0, 0.0 -40,-0.1 0.899 123.1 60.7 -51.5 -46.2 -2.7 -67.9 39.9 674 326 B D G 3 5S+ 0 0 58 -42,-0.3 -72,-0.1 1,-0.3 4,-0.0 0.501 108.7 44.6 -62.7 -9.0 -3.3 -65.1 37.2 675 327 B L G < 5S- 0 0 12 -3,-1.7 -1,-0.3 -74,-0.1 3,-0.1 -0.354 129.8 -84.8-132.8 53.7 -7.0 -64.9 38.2 676 328 B G T < 5S+ 0 0 82 -3,-1.1 -2,-0.1 1,-0.2 2,-0.0 0.329 99.6 105.0 66.2 -5.4 -6.8 -64.9 42.0 677 329 B G < - 0 0 22 -5,-2.4 -1,-0.2 2,-0.1 -7,-0.0 0.001 66.8-136.4 -90.5-164.8 -6.7 -68.8 42.2 678 330 B S + 0 0 117 -7,-1.0 2,-0.8 -3,-0.1 -2,-0.0 0.075 54.7 128.5-144.0 24.8 -3.9 -71.3 42.9 679 331 B A - 0 0 14 -8,-1.9 -2,-0.1 4,-0.1 -9,-0.0 -0.778 48.0-145.5 -91.8 110.8 -4.5 -74.0 40.3 680 332 B G > - 0 0 19 -2,-0.8 4,-2.2 -8,-0.1 -48,-0.3 0.021 34.0 -84.6 -64.2 175.8 -1.2 -74.7 38.4 681 333 B T H > S+ 0 0 9 -50,-2.2 4,-1.5 1,-0.2 -49,-0.1 0.887 125.2 37.8 -51.2 -51.5 -1.0 -75.7 34.7 682 334 B E H > S+ 0 0 130 -51,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.885 114.4 51.8 -74.2 -41.4 -1.6 -79.5 35.1 683 335 B A H > S+ 0 0 59 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.898 110.9 50.1 -61.9 -39.4 -4.2 -79.3 37.9 684 336 B F H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 3,-0.3 0.903 109.1 51.2 -64.7 -42.0 -6.3 -76.8 35.8 685 337 B T H X S+ 0 0 1 -4,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.876 105.4 55.9 -63.0 -40.2 -6.1 -79.0 32.7 686 338 B A H X S+ 0 0 34 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.806 104.6 53.9 -63.2 -30.4 -7.3 -82.0 34.7 687 339 B T H X S+ 0 0 2 -4,-1.1 4,-1.9 -3,-0.3 -1,-0.2 0.901 109.5 46.6 -70.2 -40.9 -10.4 -79.9 35.7 688 340 B V H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.925 113.0 50.5 -64.0 -44.4 -11.1 -79.3 32.0 689 341 B L H < S+ 0 0 58 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.916 109.4 51.3 -58.5 -44.7 -10.6 -83.0 31.4 690 342 B R H >< S+ 0 0 146 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.851 110.6 47.6 -62.0 -38.8 -13.0 -83.9 34.2 691 343 B H H 3< S+ 0 0 63 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.790 97.8 70.8 -74.5 -27.9 -15.7 -81.6 32.8 692 344 B L T 3< 0 0 28 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.414 360.0 360.0 -67.8 1.5 -15.3 -83.0 29.3 693 345 B A < 0 0 124 -3,-0.9 -2,-0.1 -4,-0.1 -3,-0.1 0.340 360.0 360.0-125.9 360.0 -16.9 -86.2 30.5