==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JAN-00 1DR8 . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Z.NURACHMAN,S.AKANUMA,T.SATO,T.OSHIMA,N.TANAKA . 688 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 6.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 36 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 1 2 1 4 2 1 2 2 1 0 5 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 6 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 PARALLEL BRIDGES PER LADDER . 1 3 1 1 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 1 0 0 0 0 0 0 1 1 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 1 A M 0 0 34 0, 0.0 34,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 64.3 7.0 -53.8 75.7 2 2 A K E -a 35 0A 116 32,-0.2 63,-1.4 61,-0.1 2,-0.4 -0.574 360.0-172.3 -75.2 128.4 8.9 -56.4 73.6 3 3 A V E -a 36 0A 4 32,-2.8 34,-1.1 -2,-0.3 2,-0.6 -0.956 20.3-146.3-127.5 140.2 12.7 -56.1 73.8 4 4 A A E -ab 37 67A 1 62,-2.6 64,-2.3 -2,-0.4 2,-0.7 -0.918 18.5-156.3-105.9 117.6 15.5 -57.8 72.0 5 5 A V E +ab 38 68A 1 32,-2.1 34,-3.7 -2,-0.6 64,-0.2 -0.845 15.7 179.6-102.4 115.3 18.6 -58.3 74.2 6 6 A L E + b 0 69A 0 62,-1.1 64,-2.5 -2,-0.7 65,-0.1 -0.797 3.0 179.5-112.6 84.7 22.0 -58.7 72.6 7 7 A P E - 0 0 21 0, 0.0 64,-1.4 0, 0.0 -1,-0.2 0.804 18.9-174.5 -54.9 -35.4 24.4 -59.1 75.5 8 8 A G E - b 0 71A 7 31,-0.5 64,-0.3 62,-0.2 2,-0.1 -0.351 30.7 -53.9 70.8-153.2 27.4 -59.4 73.3 9 9 A D S > S+ 0 0 13 62,-1.4 3,-2.0 3,-0.1 62,-0.2 -0.461 95.8 29.6-115.1-173.4 30.8 -60.3 74.9 10 10 A G T 3 S- 0 0 19 1,-0.3 4,-0.4 -2,-0.1 266,-0.2 -0.328 133.5 -17.4 61.8-141.0 33.1 -59.1 77.6 11 11 A I T 3> S+ 0 0 4 264,-2.7 4,-2.8 1,-0.2 5,-0.4 0.381 114.7 107.5 -76.5 10.0 31.3 -57.4 80.5 12 12 A G H <> S+ 0 0 0 -3,-2.0 4,-2.1 263,-0.3 -1,-0.2 0.955 81.1 37.3 -49.2 -67.7 28.4 -57.3 77.9 13 13 A P H > S+ 0 0 59 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.873 116.1 57.8 -53.8 -40.3 26.3 -60.0 79.5 14 14 A E H > S+ 0 0 41 -4,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.977 112.6 35.0 -53.2 -65.5 27.3 -58.8 83.0 15 15 A V H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.770 116.7 56.2 -64.7 -27.6 26.1 -55.2 82.6 16 16 A T H X S+ 0 0 3 -4,-2.1 4,-2.6 -5,-0.4 5,-0.2 0.966 103.2 53.2 -71.5 -48.8 23.1 -56.2 80.5 17 17 A E H X S+ 0 0 68 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.903 106.8 53.9 -50.3 -47.0 21.8 -58.6 83.2 18 18 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 3,-0.3 0.957 108.6 47.9 -52.0 -56.7 21.9 -55.9 85.8 19 19 A A H X S+ 0 0 0 -4,-1.7 4,-3.5 1,-0.3 -1,-0.2 0.885 111.8 50.9 -53.9 -39.5 19.8 -53.6 83.6 20 20 A L H X S+ 0 0 4 -4,-2.6 4,-3.6 2,-0.2 -1,-0.3 0.889 107.6 52.9 -68.0 -34.0 17.4 -56.5 83.0 21 21 A K H X S+ 0 0 66 -4,-2.6 4,-1.8 -3,-0.3 -2,-0.2 0.947 113.4 43.2 -63.3 -46.8 17.3 -57.0 86.8 22 22 A V H X S+ 0 0 5 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.953 116.0 50.4 -60.7 -47.9 16.3 -53.3 87.2 23 23 A L H X S+ 0 0 4 -4,-3.5 4,-2.9 -5,-0.2 5,-0.2 0.949 107.8 49.6 -55.6 -57.6 14.0 -53.7 84.3 24 24 A R H X S+ 0 0 69 -4,-3.6 4,-3.1 1,-0.2 -1,-0.2 0.851 114.2 47.9 -52.1 -38.6 12.1 -56.8 85.5 25 25 A A H X S+ 0 0 45 -4,-1.8 4,-2.9 -5,-0.2 5,-0.3 0.969 111.1 48.5 -67.5 -54.8 11.6 -55.1 88.9 26 26 A L H X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.884 117.9 43.6 -51.7 -40.4 10.4 -51.8 87.4 27 27 A D H X S+ 0 0 29 -4,-2.9 4,-2.2 -5,-0.2 3,-0.3 0.949 112.3 49.7 -72.4 -49.7 8.0 -53.9 85.2 28 28 A E H < S+ 0 0 157 -4,-3.1 3,-0.3 1,-0.2 -2,-0.2 0.927 115.0 45.4 -55.2 -47.4 6.8 -56.3 87.9 29 29 A A H < S+ 0 0 70 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.755 127.0 28.8 -69.5 -24.9 6.0 -53.4 90.3 30 30 A E H < S- 0 0 96 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.359 103.0-117.6-120.7 7.1 4.3 -51.3 87.6 31 31 A G < + 0 0 64 -4,-2.2 -3,-0.2 -3,-0.3 -4,-0.1 0.939 48.9 160.1 54.2 91.8 2.9 -53.8 85.1 32 32 A L - 0 0 33 -5,-0.3 3,-0.1 2,-0.1 -4,-0.1 0.464 48.2-126.6-121.2 -10.1 4.7 -53.0 81.9 33 33 A G + 0 0 54 1,-0.2 2,-0.4 -6,-0.2 -5,-0.0 0.889 41.7 178.6 63.8 34.0 4.2 -56.1 79.9 34 34 A L + 0 0 24 -11,-0.1 2,-0.4 -10,-0.1 -1,-0.2 -0.599 0.9 177.3 -70.7 126.6 8.0 -56.3 79.4 35 35 A A E +a 2 0A 39 -34,-1.8 -32,-2.8 -2,-0.4 2,-0.3 -0.998 6.7 161.8-132.8 134.6 8.7 -59.4 77.3 36 36 A Y E -a 3 0A 78 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.999 26.0-168.6-156.6 160.9 12.2 -60.3 76.2 37 37 A E E -a 4 0A 111 -34,-1.1 -32,-2.1 -2,-0.3 2,-0.3 -0.987 30.7-118.9-144.6 144.1 14.7 -62.9 74.9 38 38 A V E -a 5 0A 84 -2,-0.3 -32,-0.2 -34,-0.2 -34,-0.0 -0.636 28.2-156.5 -89.3 146.2 18.5 -62.7 74.6 39 39 A F - 0 0 22 -34,-3.7 -31,-0.5 -2,-0.3 2,-0.3 -0.940 23.7-104.0-125.0 146.3 20.1 -63.0 71.2 40 40 A P + 0 0 39 0, 0.0 2,-0.3 0, 0.0 17,-0.1 -0.490 51.9 165.2 -68.8 129.2 23.6 -64.1 70.0 41 41 A F > - 0 0 1 -2,-0.3 3,-0.9 12,-0.1 4,-0.2 -0.999 36.8 -10.5-151.2 146.5 25.6 -61.0 69.0 42 42 A G T 3> S- 0 0 0 10,-1.3 4,-2.2 -2,-0.3 5,-0.2 -0.311 123.6 -9.7 68.2-154.2 29.1 -59.9 68.3 43 43 A G H 3> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.816 138.1 57.3 -44.1 -36.9 32.0 -62.2 69.1 44 44 A A H X4 S+ 0 0 42 -3,-0.9 3,-1.6 1,-0.2 -1,-0.2 0.994 107.2 44.9 -59.1 -61.1 29.6 -64.4 71.0 45 45 A A H >> S+ 0 0 0 1,-0.3 4,-2.0 7,-0.3 3,-1.3 0.810 107.6 62.6 -51.9 -32.5 27.3 -64.9 67.9 46 46 A I H 3X S+ 0 0 12 -4,-2.2 4,-1.3 1,-0.3 -1,-0.3 0.848 96.9 56.1 -63.8 -35.6 30.5 -65.5 65.9 47 47 A D H << S+ 0 0 82 -3,-1.6 -1,-0.3 -4,-1.4 -2,-0.2 0.090 120.5 29.3 -86.4 24.9 31.4 -68.6 68.0 48 48 A A H <4 S+ 0 0 73 -3,-1.3 -2,-0.2 3,-0.1 -1,-0.2 0.375 135.1 22.6-152.2 -18.7 28.1 -70.2 67.1 49 49 A F H < S- 0 0 94 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.347 91.8-123.2-135.6 -0.0 27.0 -68.9 63.7 50 50 A G S < S+ 0 0 49 -4,-1.3 -4,-0.2 -5,-0.4 -3,-0.1 0.143 88.6 81.7 77.6 -25.1 30.3 -67.8 62.2 51 51 A E S S- 0 0 72 -6,-0.4 -2,-0.1 1,-0.1 -3,-0.1 -0.926 77.4-134.3-117.1 144.1 28.9 -64.3 61.8 52 52 A P S S+ 0 0 7 0, 0.0 -10,-1.3 0, 0.0 -7,-0.3 0.879 104.9 37.4 -58.3 -43.5 28.6 -61.5 64.4 53 53 A F S S- 0 0 7 -12,-0.2 5,-0.2 -8,-0.1 -12,-0.1 -0.547 88.7-166.3-113.8 65.3 25.0 -60.6 63.5 54 54 A P >> - 0 0 1 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.184 32.5-100.0 -46.2 165.8 23.4 -64.0 62.7 55 55 A E H 3> S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.884 118.4 50.2 -60.5 -45.7 20.0 -64.5 61.0 56 56 A P H 3> S+ 0 0 64 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.714 110.4 52.2 -70.4 -16.4 17.8 -65.1 64.1 57 57 A T H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 5,-0.3 0.911 106.5 52.5 -79.9 -46.9 19.2 -62.0 65.7 58 58 A R H X S+ 0 0 77 -4,-2.0 4,-2.0 1,-0.3 -3,-0.1 0.901 115.3 41.7 -52.2 -44.5 18.4 -60.0 62.6 59 59 A K H X S+ 0 0 122 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.842 110.3 59.7 -71.7 -35.2 14.9 -61.3 62.9 60 60 A G H X S+ 0 0 9 -4,-1.2 4,-0.6 -5,-0.2 -2,-0.2 0.882 110.0 39.7 -60.6 -42.3 15.0 -60.9 66.7 61 61 A V H < S+ 0 0 0 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.889 112.4 58.5 -75.4 -39.0 15.6 -57.1 66.4 62 62 A E H < S+ 0 0 116 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.956 111.8 37.8 -53.9 -58.3 13.2 -56.8 63.5 63 63 A E H < S+ 0 0 107 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.686 103.8 99.5 -68.4 -15.9 10.2 -58.1 65.5 64 64 A A < - 0 0 8 -4,-0.6 -61,-0.2 -5,-0.3 3,-0.1 -0.413 67.9-147.2 -76.4 147.9 11.5 -56.3 68.5 65 65 A E S S- 0 0 112 -63,-1.4 2,-0.3 1,-0.3 -62,-0.2 0.469 84.2 -4.5 -88.1 -6.5 10.1 -52.9 69.7 66 66 A A - 0 0 0 -64,-0.2 -62,-2.6 200,-0.2 2,-0.5 -0.911 67.7-125.6-178.7 155.0 13.6 -51.9 71.0 67 67 A V E -bc 4 268A 0 200,-2.8 202,-3.4 -2,-0.3 2,-0.7 -0.950 9.7-167.6-120.6 131.9 17.0 -53.3 71.4 68 68 A L E -bc 5 269A 1 -64,-2.3 -62,-1.1 -2,-0.5 2,-0.3 -0.885 23.2-178.5-116.0 95.1 19.0 -53.3 74.6 69 69 A L E -b 6 0A 0 200,-2.0 3,-0.1 -2,-0.7 -64,-0.1 -0.691 15.1-164.8 -98.4 149.7 22.6 -54.2 73.5 70 70 A G E - 0 0 0 -64,-2.5 2,-0.3 -2,-0.3 -62,-0.2 0.786 46.5 -51.6 -94.8 -98.6 25.6 -54.7 75.8 71 71 A S E -b 8 0A 5 -64,-1.4 -62,-1.4 -62,-0.2 2,-0.3 -0.959 40.2-158.3-145.9 162.2 29.1 -54.7 74.3 72 72 A V + 0 0 31 -2,-0.3 203,-0.3 -64,-0.3 2,-0.1 -0.985 43.1 68.2-142.5 150.8 31.0 -56.4 71.5 73 73 A G + 0 0 7 -2,-0.3 3,-0.1 201,-0.1 -29,-0.0 -0.306 35.3 157.3 119.8 155.7 34.7 -57.1 70.9 74 74 A G >> - 0 0 6 -2,-0.1 3,-1.1 1,-0.1 4,-0.8 -0.908 54.3 -90.7 166.0 167.1 37.6 -59.1 72.4 75 75 A P G >4 S+ 0 0 94 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.868 111.5 76.1 -68.5 -33.9 40.9 -60.7 71.6 76 76 A K G 34 S+ 0 0 136 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.665 115.1 18.2 -50.2 -19.3 39.2 -63.9 70.5 77 77 A W G X4 S+ 0 0 21 -3,-1.1 3,-2.4 2,-0.1 -1,-0.3 0.377 88.1 107.4-135.3 0.8 38.3 -62.2 67.2 78 78 A D T << S+ 0 0 110 -4,-0.8 -2,-0.1 -3,-0.7 7,-0.1 0.712 88.3 48.9 -56.1 -16.3 40.5 -59.2 66.9 79 79 A G T 3 S+ 0 0 74 -4,-0.5 -1,-0.3 2,-0.1 3,-0.1 0.316 87.3 106.0-108.6 9.9 42.3 -61.2 64.2 80 80 A L S < S- 0 0 55 -3,-2.4 5,-0.1 1,-0.1 -3,-0.1 -0.468 84.1 -77.1 -87.1 159.4 39.3 -62.3 62.1 81 81 A P > - 0 0 81 0, 0.0 3,-2.9 0, 0.0 4,-0.4 -0.296 42.2-118.5 -59.3 135.8 38.4 -60.8 58.7 82 82 A R G > S+ 0 0 142 1,-0.3 3,-1.8 2,-0.2 6,-0.3 0.817 110.5 63.5 -38.8 -54.1 36.6 -57.4 58.8 83 83 A K G 3 S+ 0 0 149 1,-0.3 -1,-0.3 5,-0.1 -3,-0.0 0.615 117.3 32.4 -53.1 -10.7 33.4 -58.5 57.2 84 84 A I G < S+ 0 0 51 -3,-2.9 -1,-0.3 -33,-0.1 -2,-0.2 0.329 85.7 121.3-128.8 3.7 33.0 -60.8 60.2 85 85 A R S X> S- 0 0 39 -3,-1.8 3,-1.2 -4,-0.4 4,-1.0 -0.470 73.0-117.1 -70.5 144.1 34.6 -58.9 63.1 86 86 A P H >> S+ 0 0 1 0, 0.0 4,-0.8 0, 0.0 3,-0.5 0.843 113.9 63.5 -48.9 -36.3 32.2 -58.2 66.0 87 87 A E H >> S+ 0 0 70 1,-0.2 3,-1.2 2,-0.2 4,-1.0 0.910 97.7 55.3 -55.9 -44.5 32.6 -54.5 65.4 88 88 A T H <> S+ 0 0 24 -3,-1.2 4,-2.5 -6,-0.3 -1,-0.2 0.822 94.9 67.0 -59.1 -34.8 31.0 -54.9 61.9 89 89 A G H S+ 0 0 31 -4,-3.0 5,-2.4 2,-0.2 3,-0.4 0.906 116.3 42.5 -60.9 -45.1 22.7 -50.1 62.6 95 95 A K H ><5S+ 0 0 113 -4,-2.4 3,-2.9 1,-0.2 -2,-0.2 0.958 105.1 63.3 -67.3 -49.5 22.1 -50.3 58.8 96 96 A S H 3<5S+ 0 0 53 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.728 115.9 32.1 -46.8 -28.4 19.5 -53.1 59.1 97 97 A Q T 3<5S- 0 0 24 -4,-1.0 168,-2.6 -3,-0.4 167,-0.6 0.266 110.1-118.0-115.5 10.8 17.3 -50.7 61.0 98 98 A D T < 5 + 0 0 32 -3,-2.9 166,-2.8 1,-0.2 2,-0.6 0.978 47.6 174.3 50.4 63.7 18.3 -47.5 59.4 99 99 A L E < +D 263 0A 0 -5,-2.4 164,-0.3 164,-0.3 -1,-0.2 -0.915 13.2 157.0-101.5 124.8 19.7 -46.0 62.6 100 100 A F E + 0 0 7 162,-2.1 34,-2.2 -2,-0.6 2,-0.5 0.352 49.3 73.6-133.0 4.2 21.3 -42.7 61.8 101 101 A A E -DE 262 133A 0 161,-2.4 161,-3.4 32,-0.2 2,-0.7 -0.935 54.8-163.8-129.9 116.4 21.2 -40.9 65.1 102 102 A N E -DE 261 132A 9 30,-2.5 30,-2.2 -2,-0.5 2,-0.8 -0.844 11.6-155.9 -97.7 110.0 23.4 -41.6 68.1 103 103 A L E -DE 260 131A 0 157,-0.8 157,-0.8 -2,-0.7 28,-0.2 -0.783 14.6-179.6 -88.9 110.2 22.0 -40.0 71.2 104 104 A R E - E 0 130A 19 26,-2.1 26,-1.9 -2,-0.8 155,-0.1 -0.856 10.0-161.0-117.1 98.5 24.8 -39.5 73.7 105 105 A P E - E 0 129A 26 0, 0.0 2,-0.3 0, 0.0 24,-0.2 -0.407 11.5-175.7 -78.7 148.7 23.6 -37.9 76.9 106 106 A A E + E 0 128A 2 22,-2.4 22,-2.3 -2,-0.1 2,-0.4 -0.803 16.1 158.0-146.4 98.0 26.0 -36.2 79.4 107 107 A K E - E 0 127A 62 -2,-0.3 2,-0.7 20,-0.2 20,-0.3 -0.988 34.4-141.8-129.5 134.0 24.4 -34.9 82.6 108 108 A V - 0 0 8 18,-2.3 17,-0.3 -2,-0.4 5,-0.1 -0.844 29.0-133.7 -91.9 114.4 26.0 -34.2 86.0 109 109 A F > - 0 0 23 -2,-0.7 3,-2.6 142,-0.2 4,-0.1 -0.433 32.4 -90.5 -69.9 141.8 23.6 -35.3 88.7 110 110 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 14,-0.0 -0.259 116.4 23.0 -53.6 130.2 22.9 -32.9 91.5 111 111 A G T 3 S+ 0 0 58 -3,-0.1 3,-0.3 209,-0.0 -2,-0.1 0.256 105.5 84.9 95.9 -11.7 25.4 -33.5 94.3 112 112 A L X + 0 0 17 -3,-2.6 3,-2.0 1,-0.2 4,-0.4 0.231 50.2 110.4-105.9 14.1 27.9 -35.2 92.0 113 113 A E G > S+ 0 0 19 1,-0.3 3,-1.3 2,-0.2 5,-0.2 0.820 73.8 58.8 -57.1 -34.2 29.6 -32.0 90.8 114 114 A R G 3 S+ 0 0 210 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.524 94.2 65.6 -75.9 -4.5 32.7 -33.0 92.7 115 115 A L G < S+ 0 0 52 -3,-2.0 -1,-0.3 136,-0.1 -2,-0.2 0.591 91.2 83.4 -89.7 -12.1 33.0 -36.1 90.6 116 116 A S S < S- 0 0 4 -3,-1.3 134,-0.1 -4,-0.4 4,-0.1 -0.574 81.6-131.1 -90.8 152.8 33.6 -34.0 87.6 117 117 A P S S+ 0 0 15 0, 0.0 347,-2.2 0, 0.0 2,-0.3 0.557 86.5 87.1 -79.2 -4.4 36.9 -32.5 86.5 118 118 A L B S-K 463 0B 0 132,-0.4 345,-0.3 345,-0.3 -2,-0.2 -0.727 98.2 -85.9 -98.1 144.9 35.2 -29.1 86.1 119 119 A K >> - 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0 0 41 -266,-0.2 3,-0.6 1,-0.2 4,-0.5 0.853 10.5-174.9 30.0 66.1 38.8 -6.0 70.0 622 277 B P T 3 S+ 0 0 55 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.732 74.1 65.2 -59.8 -25.1 38.5 -2.7 68.1 623 278 B D T 3 S+ 0 0 148 1,-0.2 -2,-0.1 3,-0.0 -268,-0.0 0.953 107.7 36.9 -64.9 -48.5 35.9 -1.5 70.6 624 279 B I S X >S+ 0 0 54 -3,-0.6 3,-1.8 2,-0.1 5,-0.5 0.432 91.5 130.2 -83.4 4.0 38.3 -1.4 73.5 625 280 B A T 3 5S+ 0 0 25 -4,-0.5 -269,-0.1 -3,-0.3 -270,-0.1 -0.367 76.5 7.1 -63.1 129.4 41.1 -0.2 71.2 626 281 B G T 3 5S+ 0 0 57 -2,-0.1 -1,-0.3 -271,-0.1 -2,-0.1 0.508 99.7 103.8 78.6 3.4 42.9 2.8 72.5 627 282 B K T < 5S- 0 0 134 -3,-1.8 -2,-0.1 0, 0.0 -1,-0.1 0.261 84.2-130.9 -97.2 9.3 41.1 2.7 75.8 628 283 B G T 5S+ 0 0 28 -4,-0.1 50,-1.9 1,-0.1 51,-0.3 0.605 78.8 110.1 51.2 17.4 44.2 1.3 77.5 629 284 B I < + 0 0 78 -5,-0.5 2,-0.2 48,-0.2 -1,-0.1 0.625 43.6 112.7 -95.4 -11.6 42.2 -1.5 79.1 630 285 B A S S- 0 0 5 -6,-0.3 -4,-0.0 1,-0.1 -9,-0.0 -0.401 70.1-119.7 -70.5 134.0 43.5 -4.4 77.1 631 286 B N - 0 0 12 -2,-0.2 3,-0.5 1,-0.1 4,-0.3 -0.570 18.4-163.7 -73.9 116.0 45.7 -7.1 78.7 632 287 B P > + 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.197 62.2 105.3 -85.1 13.4 49.2 -7.3 77.1 633 288 B T H > S+ 0 0 0 -33,-0.2 4,-3.2 2,-0.2 5,-0.2 0.934 79.9 48.2 -60.4 -47.0 50.0 -10.7 78.6 634 289 B A H > S+ 0 0 0 -34,-1.0 4,-2.0 -3,-0.5 -30,-0.2 0.953 114.2 44.7 -58.0 -54.5 49.4 -12.5 75.2 635 290 B A H > S+ 0 0 3 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.918 116.0 47.4 -57.6 -45.6 51.5 -10.1 73.2 636 291 B I H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 3,-0.2 0.938 113.7 46.6 -62.7 -47.0 54.3 -10.1 75.8 637 292 B L H X S+ 0 0 15 -4,-3.2 4,-2.4 1,-0.3 -1,-0.2 0.780 108.4 56.6 -67.5 -24.4 54.3 -13.9 76.1 638 293 B S H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.3 0.849 104.5 54.0 -70.3 -34.5 54.3 -14.0 72.3 639 294 B A H X S+ 0 0 2 -4,-1.6 4,-1.5 -3,-0.2 -2,-0.2 0.845 107.0 50.4 -66.9 -33.9 57.5 -11.9 72.6 640 295 B A H >X S+ 0 0 5 -4,-1.5 4,-2.0 2,-0.2 3,-1.4 0.998 106.0 55.5 -63.6 -61.0 58.9 -14.6 74.9 641 296 B M H 3X S+ 0 0 11 -4,-2.4 4,-3.0 1,-0.3 5,-0.3 0.798 107.2 50.0 -36.6 -48.6 58.0 -17.3 72.4 642 297 B M H 3X>S+ 0 0 0 -4,-1.7 4,-2.5 3,-0.2 5,-0.6 0.883 108.0 53.2 -63.5 -39.6 60.0 -15.5 69.7 643 298 B L H + 0 0 44 -6,-2.0 4,-2.4 1,-0.2 -1,-0.2 -0.349 14.9 159.4 -66.7 70.9 67.2 -17.4 74.2 650 305 B V H > + 0 0 48 -2,-3.7 4,-1.9 -6,-0.2 -1,-0.2 0.823 68.1 48.5 -66.3 -35.3 65.3 -20.1 76.2 651 306 B E H > S+ 0 0 132 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.950 111.9 47.3 -70.4 -52.4 66.4 -18.7 79.5 652 307 B L H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 113.7 49.0 -55.2 -47.0 65.5 -15.1 78.7 653 308 B A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 -1,-0.2 0.906 109.3 51.6 -60.7 -42.5 62.1 -16.3 77.4 654 309 B R H X S+ 0 0 122 -4,-1.9 4,-1.8 2,-0.2 -1,-0.3 0.834 109.1 54.2 -63.2 -30.1 61.6 -18.4 80.6 655 310 B K H >X S+ 0 0 102 -4,-2.0 4,-2.3 2,-0.2 3,-0.5 0.998 108.3 44.8 -64.3 -65.7 62.4 -15.1 82.4 656 311 B V H 3X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.887 111.3 55.9 -43.2 -51.1 59.8 -13.0 80.7 657 312 B E H 3X S+ 0 0 19 -4,-2.5 4,-2.7 1,-0.2 -1,-0.3 0.926 109.0 46.1 -49.7 -50.8 57.3 -15.8 81.1 658 313 B D H X S+ 0 0 125 -4,-2.7 4,-2.5 2,-0.2 3,-0.9 0.938 112.7 45.8 -63.6 -50.4 54.3 -12.8 88.7 663 318 B A H 3X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.3 -2,-0.2 0.874 104.0 61.4 -62.3 -40.7 52.5 -9.6 87.4 664 319 B L H 3< S+ 0 0 2 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.772 113.1 40.8 -59.2 -21.5 49.3 -11.5 86.6 665 320 B L H << S+ 0 0 85 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.902 121.5 35.3 -91.2 -52.9 49.3 -12.2 90.4 666 321 B E H < S+ 0 0 91 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.954 137.3 15.9 -70.0 -52.6 50.4 -8.9 91.9 667 322 B T S < S- 0 0 51 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.493 85.4-169.9-122.8 64.9 48.7 -6.4 89.5 668 323 B P - 0 0 33 0, 0.0 8,-1.5 0, 0.0 7,-1.4 -0.175 22.1-114.3 -57.3 141.5 46.1 -8.6 87.6 669 324 B P > > - 0 0 0 0, 0.0 3,-1.6 0, 0.0 5,-1.3 -0.132 34.0 -96.2 -70.3 167.4 44.4 -7.1 84.5 670 325 B P G >>5S+ 0 0 55 0, 0.0 3,-2.0 0, 0.0 4,-0.5 0.928 124.5 56.9 -53.4 -46.4 40.6 -6.4 84.4 671 326 B D G 345S+ 0 0 69 1,-0.3 -71,-0.0 2,-0.2 -41,-0.0 0.688 104.1 55.7 -58.9 -19.2 39.8 -9.7 82.7 672 327 B L G <45S- 0 0 7 -3,-1.6 -1,-0.3 -74,-0.0 3,-0.1 -0.035 132.9 -90.2-102.3 28.7 41.5 -11.4 85.6 673 328 B G T <45S+ 0 0 75 -3,-2.0 -2,-0.2 1,-0.2 2,-0.1 0.864 98.7 94.0 67.9 38.6 39.3 -9.7 88.1 674 329 B G S < - 0 0 23 -2,-1.2 4,-2.7 -8,-0.1 5,-0.3 -0.025 33.0 -89.2 -53.4 162.8 45.3 -1.2 82.7 678 333 B T H > S+ 0 0 8 -50,-1.9 4,-1.6 1,-0.2 5,-0.2 0.860 128.0 46.6 -36.9 -59.6 47.7 -2.0 79.8 679 334 B E H > S+ 0 0 125 -51,-0.3 4,-0.8 1,-0.2 3,-0.3 0.922 114.8 46.7 -52.3 -52.5 50.3 0.6 80.8 680 335 B A H >> S+ 0 0 49 1,-0.2 4,-1.5 2,-0.2 3,-1.2 0.934 110.1 51.4 -57.6 -53.4 50.2 -0.4 84.5 681 336 B F H 3X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.765 104.6 57.5 -57.2 -31.1 50.5 -4.1 83.9 682 337 B T H 3X S+ 0 0 10 -4,-1.6 4,-1.6 -3,-0.3 -1,-0.3 0.720 103.1 55.5 -73.2 -24.1 53.6 -3.7 81.6 683 338 B A H < S+ 0 0 27 -4,-1.6 3,-2.1 1,-0.2 -2,-0.2 0.875 96.1 63.5 -48.9 -44.2 59.0 -5.1 83.8 687 342 B M H 3< S+ 0 0 123 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.931 98.4 51.6 -45.3 -62.3 59.9 -5.6 87.5 688 343 B G T 3< 0 0 30 -4,-1.1 -1,-0.3 -3,-0.3 -29,-0.2 0.420 360.0 360.0 -60.9 5.2 60.4 -9.4 87.1 689 344 B I < 0 0 74 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.905 360.0 360.0 -92.2 360.0 62.7 -8.6 84.2