==== 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 25-AUG-99 1CW1 . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.STROUD,J.FINER-MOORE . 415 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0.5 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 . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.9 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 1 0 0 1 1 0 3 0 1 1 1 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 4 0 1 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 . 0 2 3 1 0 0 1 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 0 0 0 0 0 0 0 1 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 2 A E 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.4 92.8 36.0 9.1 2 3 A S - 0 0 68 1,-0.1 75,-0.0 2,-0.1 0, 0.0 -0.267 360.0-163.7 -64.7 149.7 93.5 39.6 10.2 3 4 A K + 0 0 128 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 0.195 56.7 113.9-114.4 7.4 96.7 41.3 9.1 4 5 A V - 0 0 19 61,-0.1 2,-0.6 64,-0.0 63,-0.1 -0.669 58.7-147.8 -80.6 133.1 96.3 44.0 11.8 5 6 A V - 0 0 114 -2,-0.4 61,-0.2 61,-0.4 -2,-0.0 -0.921 5.0-141.9-109.8 113.4 99.1 43.8 14.3 6 7 A V - 0 0 83 -2,-0.6 2,-0.1 1,-0.1 58,-0.1 -0.596 33.4-108.7 -71.3 123.6 98.2 44.8 17.9 7 8 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 -0.354 18.1-143.6 -56.6 129.1 101.2 46.6 19.3 8 9 A A S S+ 0 0 114 1,-0.2 2,-0.7 -2,-0.1 -2,-0.0 0.913 95.1 48.1 -60.0 -46.5 103.0 44.5 22.0 9 10 A Q S S+ 0 0 76 2,-0.0 2,-0.2 -3,-0.0 -1,-0.2 -0.893 96.5 76.6 -98.0 115.5 103.7 47.6 24.0 10 11 A G - 0 0 22 -2,-0.7 2,-0.4 17,-0.1 52,-0.1 -0.641 60.6-130.6 155.0 152.8 100.5 49.6 24.3 11 12 A K B -a 26 0A 127 14,-3.1 16,-1.6 -2,-0.2 52,-0.1 -0.975 25.3-110.1-133.1 142.6 97.2 49.7 26.1 12 13 A K - 0 0 68 -2,-0.4 2,-0.2 14,-0.2 82,-0.1 -0.401 31.4-122.2 -69.3 138.6 93.6 50.1 25.0 13 14 A I - 0 0 0 81,-0.4 2,-0.3 14,-0.4 9,-0.2 -0.575 32.9-155.3 -77.6 145.0 91.8 53.4 25.9 14 15 A T E -B 21 0B 59 7,-2.2 7,-3.4 -2,-0.2 2,-0.4 -0.786 8.3-137.0-121.9 167.4 88.6 52.8 27.9 15 16 A L E +B 20 0B 40 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.991 22.2 169.5-129.1 131.0 85.4 54.6 28.4 16 17 A Q E > S-B 19 0B 63 3,-2.8 3,-1.4 -2,-0.4 -2,-0.0 -0.977 71.3 -13.9-144.0 122.5 83.6 55.1 31.7 17 18 A N T 3 S- 0 0 114 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.837 127.0 -54.1 57.0 37.7 80.7 57.4 32.4 18 19 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 311,-0.1 -1,-0.3 0.720 117.5 112.4 71.7 19.7 81.2 59.3 29.2 19 20 A K E < -B 16 0B 58 -3,-1.4 -3,-2.8 2,-0.0 2,-0.3 -0.993 66.3-126.5-128.9 131.0 84.8 60.0 30.1 20 21 A L E -B 15 0B 51 -2,-0.4 2,-0.9 -5,-0.2 -5,-0.2 -0.595 10.3-152.2 -77.2 133.5 87.8 58.5 28.3 21 22 A N E -B 14 0B 104 -7,-3.4 -7,-2.2 -2,-0.3 -1,-0.0 -0.891 22.2-172.5-107.0 95.8 90.4 56.7 30.4 22 23 A V - 0 0 30 -2,-0.9 -9,-0.1 -9,-0.2 -10,-0.1 -0.836 11.0-145.8 -97.4 123.2 93.6 57.1 28.4 23 24 A P - 0 0 18 0, 0.0 -10,-0.0 0, 0.0 -12,-0.0 -0.323 28.9-108.5 -78.5 168.9 96.8 55.3 29.4 24 25 A E S S+ 0 0 119 1,-0.3 37,-2.7 36,-0.1 -2,-0.0 0.701 119.9 42.7 -70.4 -18.2 100.2 56.8 29.0 25 26 A N S S+ 0 0 63 35,-0.2 -14,-3.1 -13,-0.1 -1,-0.3 -0.464 83.6 177.2-126.0 60.4 100.8 54.3 26.2 26 27 A P B -a 11 0A 0 0, 0.0 37,-3.2 0, 0.0 2,-0.6 -0.327 29.2-129.5 -69.7 142.1 97.5 54.3 24.2 27 28 A I E -c 63 0C 6 -16,-1.6 -14,-0.4 35,-0.2 69,-0.3 -0.833 27.4-167.2 -89.1 122.7 97.1 52.1 21.1 28 29 A I E -c 64 0C 0 35,-2.0 37,-2.5 -2,-0.6 69,-0.2 -0.963 11.3-142.8-118.8 115.1 95.8 54.4 18.3 29 30 A P E -c 65 0C 0 0, 0.0 69,-1.6 0, 0.0 2,-0.4 -0.483 22.4-171.4 -71.2 146.0 94.5 52.8 15.1 30 31 A Y E -cd 66 98C 35 35,-2.1 37,-2.5 67,-0.2 2,-0.5 -0.999 20.9-148.9-145.0 140.7 95.3 54.7 11.9 31 32 A I E - d 0 99C 3 67,-2.2 69,-1.9 -2,-0.4 37,-0.1 -0.949 13.4-148.1-107.7 120.2 94.2 54.4 8.3 32 33 A E - 0 0 46 -2,-0.5 9,-0.3 35,-0.5 -1,-0.1 0.909 36.7-140.7 -53.1 -47.1 97.0 55.6 5.9 33 34 A G - 0 0 4 36,-0.3 69,-0.2 67,-0.2 -1,-0.1 -0.026 17.5 -75.1 96.7 153.1 94.5 56.9 3.3 34 35 A D S > S- 0 0 12 67,-2.5 3,-2.2 3,-0.1 4,-0.0 -0.280 93.0 -7.0 -77.2 169.0 94.4 56.7 -0.5 35 36 A G T > S+ 0 0 24 1,-0.3 3,-1.9 2,-0.2 311,-0.2 -0.188 139.4 14.7 50.7-120.6 96.6 58.9 -2.8 36 37 A I T >> S+ 0 0 7 304,-2.5 4,-2.7 1,-0.3 3,-1.4 0.487 104.7 90.6 -65.2 -3.1 98.5 61.6 -0.9 37 38 A G H <> S+ 0 0 0 -3,-2.2 4,-1.8 1,-0.3 -1,-0.3 0.832 79.4 63.4 -61.6 -26.5 97.7 59.7 2.4 38 39 A V H <4 S+ 0 0 62 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.775 112.1 35.4 -68.2 -21.9 101.0 58.0 1.6 39 40 A D H <> S+ 0 0 13 -3,-1.4 4,-1.0 -4,-0.2 -2,-0.2 0.874 120.7 42.4 -96.2 -49.0 102.7 61.4 2.0 40 41 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -3,-0.2 0.865 105.6 60.7 -71.8 -38.2 100.7 63.1 4.8 41 42 A T H X S+ 0 0 4 -4,-1.8 4,-2.9 -9,-0.3 5,-0.2 0.934 103.3 49.6 -57.8 -49.2 100.3 60.2 7.2 42 43 A P H > S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.888 112.0 49.8 -58.2 -39.2 104.1 59.7 7.8 43 44 A A H X S+ 0 0 7 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.908 111.4 49.2 -64.6 -41.1 104.5 63.4 8.4 44 45 A M H X S+ 0 0 1 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.947 108.9 51.1 -63.7 -48.8 101.6 63.3 10.9 45 46 A L H X S+ 0 0 33 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.922 114.4 45.1 -55.5 -45.5 103.0 60.3 12.8 46 47 A K H X S+ 0 0 113 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.897 114.1 47.6 -65.7 -44.5 106.3 62.0 13.1 47 48 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.940 113.9 47.4 -64.1 -45.5 104.8 65.4 14.2 48 49 A V H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 5,-0.3 0.932 111.7 50.1 -62.3 -46.7 102.5 63.8 16.7 49 50 A D H X S+ 0 0 56 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.905 111.2 49.0 -60.5 -39.9 105.3 61.7 18.2 50 51 A A H X S+ 0 0 27 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.919 111.4 50.6 -65.4 -42.2 107.5 64.7 18.5 51 52 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.916 114.3 41.5 -62.6 -46.6 104.7 66.7 20.2 52 53 A V H X S+ 0 0 3 -4,-2.7 4,-2.3 2,-0.2 6,-0.4 0.857 114.4 52.5 -71.9 -33.3 103.9 64.0 22.8 53 54 A E H X>S+ 0 0 108 -4,-2.3 5,-1.2 -5,-0.3 4,-0.6 0.960 115.6 41.1 -63.9 -47.9 107.6 63.3 23.4 54 55 A K H ><5S+ 0 0 108 -4,-2.8 3,-0.5 -5,-0.2 -2,-0.2 0.906 116.3 49.4 -66.4 -43.9 108.2 67.0 24.0 55 56 A A H 3<5S+ 0 0 24 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.925 122.9 28.1 -63.5 -48.8 105.1 67.6 26.0 56 57 A Y H ><5S- 0 0 23 -4,-2.3 3,-2.5 -5,-0.2 -1,-0.2 0.170 101.4-120.7-104.7 19.0 105.4 64.7 28.5 57 58 A K T <<5S- 0 0 171 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.857 76.7 -50.5 47.0 44.0 109.2 64.3 28.5 58 59 A G T 3 > S- 0 0 0 12,-3.0 4,-1.3 -2,-0.3 3,-0.9 -0.513 117.7 -18.2 93.9-158.7 89.9 52.2 0.9 71 72 A E H 3> S+ 0 0 81 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.882 134.7 55.7 -53.7 -42.8 92.3 51.2 -1.9 72 73 A K H 3> S+ 0 0 64 -3,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.829 101.9 58.5 -64.0 -28.3 94.9 49.8 0.5 73 74 A S H <>>S+ 0 0 0 -3,-0.9 4,-3.6 2,-0.2 5,-0.5 0.911 103.8 50.4 -67.8 -39.9 92.3 47.6 2.1 74 75 A T H X5S+ 0 0 9 -4,-1.3 4,-1.5 -3,-0.3 -1,-0.2 0.872 112.5 47.6 -65.5 -34.0 91.7 45.8 -1.3 75 76 A Q H <5S+ 0 0 141 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.803 119.2 39.8 -76.0 -28.8 95.4 45.3 -1.7 76 77 A V H <5S+ 0 0 26 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.879 134.4 18.0 -86.0 -44.5 95.7 44.0 1.9 77 78 A Y H <5S- 0 0 54 -4,-3.6 -3,-0.2 4,-0.3 -2,-0.2 0.484 114.7-100.8-107.9 -7.1 92.6 41.9 2.1 78 79 A G ><< - 0 0 29 -4,-1.5 3,-2.1 -5,-0.5 -1,-0.3 -0.309 52.7 -32.3 113.3 166.8 91.6 41.4 -1.5 79 80 A Q T 3 S+ 0 0 182 1,-0.3 -1,-0.2 -2,-0.1 -5,-0.1 0.665 126.1 26.2 -23.9 -67.3 89.4 42.5 -4.4 80 81 A D T 3 S+ 0 0 125 -3,-0.2 2,-1.3 1,-0.1 3,-0.3 0.301 88.8 109.7 -96.3 13.8 86.1 43.5 -2.8 81 82 A V < + 0 0 45 -3,-2.1 -4,-0.3 1,-0.2 -5,-0.2 -0.648 25.1 142.3 -93.1 85.9 87.3 44.5 0.7 82 83 A W S S+ 0 0 39 -2,-1.3 -12,-3.0 1,-0.3 -9,-0.2 0.789 80.9 16.8 -89.6 -32.6 86.9 48.3 0.7 83 84 A L S S- 0 0 37 -3,-0.3 -1,-0.3 -14,-0.2 -14,-0.1 -0.800 82.6-149.2-145.1 94.2 85.8 48.5 4.4 84 85 A P >> - 0 0 10 0, 0.0 3,-1.2 0, 0.0 4,-1.1 -0.345 20.2-125.6 -64.8 144.8 86.6 45.4 6.5 85 86 A A H 3> S+ 0 0 71 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.890 110.9 61.6 -57.4 -38.4 84.2 44.6 9.3 86 87 A E H 3> S+ 0 0 38 1,-0.2 4,-3.6 2,-0.2 -1,-0.3 0.779 95.1 60.2 -60.2 -30.4 87.3 44.5 11.6 87 88 A T H <> S+ 0 0 0 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.920 107.6 44.4 -65.3 -41.2 88.0 48.2 10.9 88 89 A L H X S+ 0 0 24 -4,-1.1 4,-1.8 -3,-0.4 -2,-0.2 0.895 116.6 48.3 -68.2 -38.6 84.6 49.2 12.3 89 90 A D H X S+ 0 0 103 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.927 111.4 49.1 -65.8 -46.8 85.3 46.8 15.2 90 91 A L H X S+ 0 0 16 -4,-3.6 4,-3.2 2,-0.2 5,-0.2 0.914 110.1 49.8 -61.1 -46.3 88.8 48.1 15.8 91 92 A I H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 241,-0.3 0.933 115.0 43.8 -60.4 -46.3 87.7 51.8 15.9 92 93 A R H >< S+ 0 0 96 -4,-1.8 3,-0.6 -5,-0.2 -2,-0.2 0.937 115.8 49.6 -63.4 -44.8 84.9 51.1 18.3 93 94 A E H 3< S+ 0 0 78 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.921 116.7 38.7 -60.7 -48.9 87.2 48.9 20.4 94 95 A Y H 3< S- 0 0 10 -4,-3.2 2,-1.8 -5,-0.2 -81,-0.4 0.437 93.8-145.8 -86.2 0.1 90.1 51.4 20.7 95 96 A R S << S+ 0 0 31 -4,-0.8 237,-1.5 -3,-0.6 2,-0.4 -0.012 73.3 56.7 66.9 -36.9 87.8 54.5 21.0 96 97 A V E + e 0 332C 0 -2,-1.8 2,-0.3 -69,-0.3 237,-0.2 -0.997 59.6 155.4-133.0 132.0 90.1 56.9 19.1 97 98 A A E - e 0 333C 0 235,-1.8 237,-3.0 -2,-0.4 2,-0.3 -0.959 20.8-152.9-148.9 162.9 91.4 56.6 15.5 98 99 A I E -de 30 334C 0 -69,-1.6 -67,-2.2 -2,-0.3 2,-0.3 -0.958 11.7-170.4-138.8 154.4 92.7 58.9 12.7 99 100 A K E -de 31 335C 2 235,-1.7 237,-2.0 -2,-0.3 -67,-0.2 -0.996 18.6-130.2-149.7 154.3 92.8 58.6 8.9 100 101 A G - 0 0 0 -69,-1.9 -67,-0.2 -2,-0.3 -66,-0.1 -0.160 63.2 -49.9 -85.4-173.1 94.2 60.1 5.8 101 102 A P - 0 0 2 0, 0.0 -67,-2.5 0, 0.0 2,-0.4 -0.308 57.2-158.1 -62.5 145.3 92.0 60.9 2.7 102 103 A L - 0 0 14 -69,-0.2 2,-0.4 234,-0.2 12,-0.1 -0.960 4.0-160.7-126.9 142.0 89.7 58.2 1.4 103 104 A T - 0 0 66 -2,-0.4 -32,-0.2 236,-0.1 -70,-0.0 -0.917 11.7-137.8-124.7 148.3 88.2 57.8 -2.0 104 105 A T - 0 0 34 -2,-0.4 8,-0.1 -34,-0.1 2,-0.1 -0.900 22.8-123.2-106.6 131.5 85.3 55.7 -3.1 105 106 A P - 0 0 33 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.398 23.0-138.9 -70.1 150.7 85.4 53.7 -6.4 106 107 A V S S+ 0 0 141 1,-0.1 5,-0.1 2,-0.1 0, 0.0 -0.843 76.6 41.3-113.6 148.6 82.8 54.3 -9.0 107 108 A G S S+ 0 0 84 -2,-0.3 -1,-0.1 3,-0.1 0, 0.0 0.227 95.9 80.2 104.5 -12.5 81.0 51.7 -11.1 108 109 A G S S- 0 0 59 -3,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.316 100.7-115.4-108.4 6.0 80.6 49.2 -8.3 109 110 A G + 0 0 80 1,-0.2 2,-0.3 -4,-0.0 -3,-0.1 0.635 66.0 145.5 71.1 12.6 77.5 50.7 -6.7 110 111 A I - 0 0 55 -5,-0.3 -1,-0.2 1,-0.0 2,-0.2 -0.634 40.1-140.0 -83.6 140.4 79.5 51.4 -3.5 111 112 A R - 0 0 134 -2,-0.3 5,-0.1 1,-0.2 -1,-0.0 -0.643 46.8 -51.6 -99.1 159.6 78.6 54.6 -1.6 112 113 A S > - 0 0 45 -2,-0.2 4,-2.1 1,-0.1 -1,-0.2 0.090 41.8-151.8 -30.9 121.8 81.0 57.0 0.1 113 114 A L H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.842 96.3 55.3 -69.3 -33.5 83.4 55.2 2.4 114 115 A N H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 110.9 44.3 -65.7 -44.4 83.7 58.3 4.6 115 116 A V H > S+ 0 0 21 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.883 110.1 56.9 -66.4 -37.2 80.0 58.4 5.1 116 117 A A H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.931 107.0 48.0 -58.8 -46.9 80.0 54.6 5.7 117 118 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 6,-0.2 0.925 115.0 45.8 -60.3 -45.4 82.4 55.0 8.6 118 119 A R H <>S+ 0 0 17 -4,-1.9 5,-2.7 2,-0.2 4,-0.3 0.940 117.0 42.3 -63.4 -51.9 80.4 57.8 10.1 119 120 A Q H ><5S+ 0 0 66 -4,-3.1 3,-0.9 3,-0.2 -2,-0.2 0.929 114.9 47.8 -63.2 -49.6 77.0 56.1 9.8 120 121 A E H 3<5S+ 0 0 124 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.800 118.3 40.8 -65.6 -29.7 78.0 52.6 10.8 121 122 A L T 3<5S- 0 0 27 -4,-1.5 209,-0.3 -5,-0.3 -1,-0.3 0.398 108.3-126.6 -97.1 3.0 79.9 53.9 13.9 122 123 A D T < 5 + 0 0 68 -3,-0.9 2,-1.9 -4,-0.3 207,-0.4 0.874 44.4 168.5 52.8 43.0 77.1 56.4 14.6 123 124 A L < + 0 0 1 -5,-2.7 205,-0.3 -6,-0.2 -1,-0.2 -0.631 5.7 174.7 -85.1 79.5 79.6 59.2 14.7 124 125 A Y + 0 0 21 -2,-1.9 30,-2.4 -3,-0.2 2,-0.5 0.530 52.1 73.7 -68.4 -10.5 76.8 61.8 14.7 125 126 A I E -FG 153 327C 12 202,-2.2 202,-2.7 28,-0.2 2,-0.7 -0.931 55.7-170.4-111.2 122.4 79.0 64.9 15.2 126 127 A C E -FG 152 326C 0 26,-2.2 26,-2.8 -2,-0.5 2,-0.7 -0.956 18.8-162.9-106.7 106.1 81.2 66.1 12.3 127 128 A L E +FG 151 325C 15 198,-2.8 198,-1.7 -2,-0.7 24,-0.2 -0.864 15.4 172.2 -98.0 118.0 83.3 68.7 14.1 128 129 A R E -F 150 0C 14 22,-2.5 22,-2.7 -2,-0.7 2,-0.4 -0.877 10.7-168.7-128.5 94.7 85.1 71.2 11.9 129 130 A P E -F 149 0C 29 0, 0.0 2,-0.5 0, 0.0 20,-0.3 -0.708 7.3-167.1 -83.4 134.1 86.9 74.2 13.6 130 131 A V E +F 148 0C 10 18,-3.2 18,-2.6 -2,-0.4 2,-0.3 -0.958 19.5 149.3-127.0 115.1 88.0 76.9 11.1 131 132 A R E -F 147 0C 76 -2,-0.5 2,-0.4 16,-0.2 16,-0.2 -0.838 43.1-105.0-132.8 170.6 90.4 79.6 12.2 132 133 A Y - 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0 0 0 -2,-0.3 4,-2.6 12,-0.2 3,-1.5 -0.241 53.7 -92.5 -75.2 168.3 104.5 73.5 1.0 390 391 A Y H 3> S+ 0 0 40 -41,-0.6 4,-3.0 12,-0.4 5,-0.2 0.815 119.2 63.8 -51.6 -42.6 103.8 74.4 -2.7 391 392 A D H 34 S+ 0 0 41 -42,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.778 116.3 31.0 -56.6 -29.4 100.0 75.1 -2.3 392 393 A F H X4 S+ 0 0 5 -3,-1.5 3,-1.9 2,-0.1 -2,-0.2 0.871 117.4 55.9 -90.8 -52.3 100.9 78.0 0.0 393 394 A E H >< S+ 0 0 50 -4,-2.6 3,-2.1 1,-0.3 6,-0.2 0.837 98.3 62.5 -48.5 -43.3 104.2 79.0 -1.6 394 395 A R T 3< S+ 0 0 154 -4,-3.0 -1,-0.3 1,-0.3 -3,-0.1 0.719 105.7 47.0 -57.6 -27.1 102.6 79.4 -5.1 395 396 A L T < S+ 0 0 126 -3,-1.9 2,-0.3 -5,-0.2 -1,-0.3 0.283 109.3 68.8-100.6 12.2 100.4 82.2 -3.7 396 397 A M < - 0 0 29 -3,-2.1 2,-0.4 -4,-0.2 3,-0.2 -0.866 65.2-138.5-132.5 162.6 103.2 84.0 -2.0 397 398 A D S S+ 0 0 148 -2,-0.3 -3,-0.0 1,-0.2 -2,-0.0 -0.929 89.0 17.8-116.7 139.4 106.4 86.1 -2.5 398 399 A G S S+ 0 0 72 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.784 89.5 138.7 73.2 26.9 109.5 85.5 -0.4 399 400 A A - 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