==== 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 1CW4 . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.R.STROUD,J.FINER-MOORE . 415 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 8.7 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 . 38 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 32.0 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 3 1 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 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.0 92.8 35.9 9.0 2 3 A S - 0 0 70 1,-0.1 75,-0.0 2,-0.1 0, 0.0 -0.318 360.0-163.6 -65.2 143.6 93.5 39.5 10.2 3 4 A K + 0 0 131 2,-0.1 2,-0.4 -2,-0.0 -1,-0.1 0.208 56.8 113.9-107.7 8.5 96.7 41.3 9.1 4 5 A V - 0 0 20 61,-0.1 2,-0.7 64,-0.0 63,-0.1 -0.692 58.4-148.5 -82.4 130.3 96.3 43.9 11.8 5 6 A V - 0 0 115 -2,-0.4 61,-0.2 61,-0.3 -2,-0.1 -0.905 5.0-143.2-105.9 112.7 99.1 43.7 14.3 6 7 A V - 0 0 79 -2,-0.7 59,-0.1 1,-0.1 58,-0.1 -0.594 33.4-108.1 -72.3 124.7 98.1 44.8 17.8 7 8 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 -0.338 17.5-142.7 -56.8 131.7 101.2 46.6 19.3 8 9 A A S S+ 0 0 114 1,-0.1 2,-0.6 -2,-0.0 -2,-0.0 0.916 94.9 47.5 -60.8 -47.8 102.9 44.5 22.0 9 10 A Q S S+ 0 0 74 2,-0.0 2,-0.2 -3,-0.0 -1,-0.1 -0.877 96.1 74.8 -96.2 124.0 103.7 47.6 24.1 10 11 A G - 0 0 22 -2,-0.6 2,-0.4 17,-0.1 52,-0.1 -0.520 61.1-130.3 146.1 152.7 100.5 49.7 24.4 11 12 A K B -a 26 0A 124 14,-3.1 16,-1.5 -2,-0.2 52,-0.1 -0.978 25.0-108.3-136.0 143.5 97.2 49.7 26.1 12 13 A K - 0 0 69 -2,-0.4 2,-0.2 14,-0.2 82,-0.1 -0.391 31.0-123.4 -69.3 138.9 93.6 50.1 25.0 13 14 A I - 0 0 0 81,-0.4 2,-0.3 14,-0.3 9,-0.2 -0.580 32.4-154.9 -78.2 145.3 91.8 53.4 25.9 14 15 A T E -B 21 0B 60 7,-2.1 7,-3.2 -2,-0.2 2,-0.4 -0.805 9.2-133.9-122.0 168.3 88.6 52.7 27.9 15 16 A L E +B 20 0B 40 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.986 25.1 168.9-125.8 128.3 85.3 54.6 28.4 16 17 A Q E > S-B 19 0B 60 3,-3.0 3,-1.7 -2,-0.4 -2,-0.0 -0.975 70.5 -14.0-143.3 122.7 83.7 55.1 31.8 17 18 A N T 3 S- 0 0 114 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.856 126.7 -54.9 56.0 39.8 80.8 57.4 32.6 18 19 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 311,-0.1 -1,-0.3 0.657 118.1 112.3 70.6 14.6 81.2 59.2 29.3 19 20 A K E < -B 16 0B 56 -3,-1.7 -3,-3.0 2,-0.0 2,-0.3 -0.973 66.9-125.7-124.2 134.5 84.8 59.9 30.1 20 21 A L E -B 15 0B 54 -2,-0.4 2,-0.9 -5,-0.2 -5,-0.2 -0.629 10.9-151.9 -79.4 132.7 87.8 58.4 28.3 21 22 A N E -B 14 0B 98 -7,-3.2 -7,-2.1 -2,-0.3 -1,-0.0 -0.888 21.9-172.9-105.9 96.2 90.4 56.7 30.4 22 23 A V - 0 0 29 -2,-0.9 -9,-0.1 -9,-0.2 -10,-0.1 -0.847 10.6-147.7 -98.8 120.1 93.6 57.2 28.4 23 24 A P - 0 0 17 0, 0.0 -12,-0.0 0, 0.0 -10,-0.0 -0.270 29.5-108.3 -76.6 169.6 96.8 55.4 29.4 24 25 A E S S+ 0 0 116 1,-0.3 37,-2.7 36,-0.1 -2,-0.0 0.710 119.8 43.7 -70.4 -20.3 100.3 56.9 28.9 25 26 A N S S+ 0 0 61 35,-0.2 -14,-3.1 37,-0.1 -1,-0.3 -0.471 83.0 174.6-122.9 58.9 100.8 54.2 26.2 26 27 A P B -a 11 0A 0 0, 0.0 37,-3.0 0, 0.0 2,-0.6 -0.364 30.6-129.0 -72.1 142.3 97.5 54.2 24.2 27 28 A I E -c 63 0C 6 -16,-1.5 -14,-0.3 35,-0.2 69,-0.3 -0.816 26.9-166.7 -88.3 124.0 97.1 52.1 21.1 28 29 A I E -c 64 0C 0 35,-2.0 37,-2.6 -2,-0.6 2,-0.2 -0.961 11.3-142.7-119.8 115.3 95.8 54.4 18.3 29 30 A P E -c 65 0C 0 0, 0.0 69,-1.7 0, 0.0 2,-0.4 -0.510 22.9-172.1 -71.2 142.2 94.5 52.8 15.1 30 31 A Y E -cd 66 98C 35 35,-2.2 37,-2.6 67,-0.2 2,-0.6 -1.000 20.8-148.6-142.2 141.5 95.3 54.7 11.9 31 32 A I E -cd 67 99C 3 67,-2.1 69,-2.3 -2,-0.4 37,-0.1 -0.952 13.7-147.0-108.1 118.3 94.2 54.4 8.3 32 33 A E - 0 0 49 -2,-0.6 9,-0.3 35,-0.5 -1,-0.1 0.902 37.3-139.8 -50.1 -47.0 97.0 55.6 5.9 33 34 A G - 0 0 5 36,-0.3 69,-0.2 67,-0.2 5,-0.1 -0.041 17.6 -75.5 96.8 152.2 94.5 56.9 3.3 34 35 A D S > S- 0 0 12 67,-2.6 3,-2.4 3,-0.1 4,-0.1 -0.262 93.1 -7.5 -76.4 170.0 94.4 56.8 -0.5 35 36 A G T > S+ 0 0 23 1,-0.3 3,-1.8 2,-0.2 311,-0.2 -0.164 139.9 15.2 48.6-119.3 96.5 58.9 -2.8 36 37 A I T >> S+ 0 0 7 304,-2.5 4,-2.6 1,-0.3 3,-1.8 0.506 104.1 91.0 -64.7 -4.5 98.4 61.5 -0.9 37 38 A G H <> S+ 0 0 0 -3,-2.4 4,-1.9 1,-0.3 -1,-0.3 0.844 79.2 63.6 -59.4 -27.8 97.7 59.7 2.4 38 39 A V H <4 S+ 0 0 63 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.753 112.1 35.3 -67.1 -22.0 101.0 57.9 1.6 39 40 A D H <> S+ 0 0 13 -3,-1.8 4,-1.0 -4,-0.2 -2,-0.2 0.873 120.6 42.6 -95.9 -50.8 102.7 61.4 2.0 40 41 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -3,-0.2 0.840 105.8 60.6 -71.0 -35.7 100.7 63.1 4.8 41 42 A T H X S+ 0 0 3 -4,-1.9 4,-2.9 -5,-0.3 5,-0.2 0.932 103.1 49.3 -61.4 -47.2 100.3 60.2 7.2 42 43 A P H > S+ 0 0 69 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.919 112.3 50.2 -58.4 -41.1 104.1 59.6 7.8 43 44 A A H X S+ 0 0 8 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.896 111.1 49.0 -61.5 -42.6 104.5 63.4 8.4 44 45 A M H X S+ 0 0 1 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.941 109.1 51.3 -63.9 -47.1 101.6 63.3 10.9 45 46 A L H X S+ 0 0 32 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.914 113.9 45.2 -57.1 -44.4 103.0 60.2 12.8 46 47 A K H X S+ 0 0 112 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.901 114.5 47.2 -67.1 -43.1 106.3 62.0 13.1 47 48 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.928 113.8 47.4 -65.8 -44.0 104.8 65.4 14.2 48 49 A V H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.941 111.2 50.9 -63.4 -46.2 102.5 63.8 16.7 49 50 A D H X S+ 0 0 59 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.887 111.0 49.0 -59.6 -39.2 105.3 61.6 18.2 50 51 A A H X S+ 0 0 27 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.904 111.9 48.2 -67.5 -41.5 107.5 64.7 18.6 51 52 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.921 114.9 45.4 -63.7 -44.6 104.7 66.7 20.2 52 53 A V H X S+ 0 0 2 -4,-2.9 4,-2.4 2,-0.2 8,-0.3 0.933 114.5 47.7 -64.7 -46.7 104.0 63.8 22.6 53 54 A E H X>S+ 0 0 108 -4,-2.8 5,-1.2 -5,-0.2 4,-0.5 0.928 117.0 43.4 -60.6 -45.7 107.7 63.3 23.4 54 55 A K H ><5S+ 0 0 109 -4,-2.7 3,-0.5 -5,-0.2 -2,-0.2 0.914 114.8 48.5 -68.1 -44.2 108.2 67.0 24.0 55 56 A A H 3<5S+ 0 0 25 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.916 123.5 28.6 -64.1 -46.2 105.1 67.6 26.0 56 57 A Y H ><5S- 0 0 21 -4,-2.4 3,-2.5 -5,-0.2 -1,-0.2 0.168 101.3-121.5-106.7 18.7 105.4 64.7 28.4 57 58 A K T <<5S- 0 0 168 -4,-0.5 -3,-0.2 -3,-0.5 -4,-0.1 0.868 75.9 -50.6 46.0 48.2 109.2 64.3 28.5 58 59 A G T 3 > S- 0 0 0 12,-3.2 4,-1.4 -2,-0.3 3,-0.9 -0.562 117.9 -17.0 96.1-157.0 89.9 52.2 0.9 71 72 A E H 3> S+ 0 0 83 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.871 134.5 55.5 -56.1 -40.2 92.3 51.2 -1.9 72 73 A K H 3> S+ 0 0 60 -3,-0.4 4,-1.4 1,-0.2 -1,-0.3 0.795 102.1 58.6 -67.3 -25.2 94.9 49.9 0.6 73 74 A S H <>>S+ 0 0 0 -3,-0.9 4,-3.5 9,-0.2 5,-0.6 0.937 103.2 51.0 -69.0 -42.6 92.3 47.5 2.1 74 75 A T H X5S+ 0 0 9 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.882 112.1 48.3 -62.0 -35.0 91.7 45.9 -1.3 75 76 A Q H <5S+ 0 0 141 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.777 118.2 40.0 -75.8 -27.2 95.4 45.3 -1.6 76 77 A V H <5S+ 0 0 26 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.883 133.9 17.8 -88.1 -45.0 95.7 43.9 1.9 77 78 A Y H <5S- 0 0 54 -4,-3.5 -3,-0.2 1,-0.3 -2,-0.2 0.525 114.4-101.3-106.2 -10.3 92.6 41.8 2.1 78 79 A G ><< - 0 0 27 -4,-1.4 3,-1.9 -5,-0.6 -1,-0.3 -0.401 53.0 -29.7 118.1 170.2 91.6 41.4 -1.5 79 80 A Q T 3 S+ 0 0 185 1,-0.3 -1,-0.2 -2,-0.1 -5,-0.1 0.690 125.9 24.6 -27.2 -68.0 89.3 42.4 -4.3 80 81 A D T 3 S+ 0 0 80 -3,-0.1 2,-1.5 1,-0.1 3,-0.3 0.361 88.4 110.8 -95.1 11.4 86.1 43.5 -2.8 81 82 A V < + 0 0 46 -3,-1.9 -4,-0.3 1,-0.2 -5,-0.2 -0.607 25.4 142.3 -88.8 84.2 87.3 44.5 0.7 82 83 A W S S+ 0 0 43 -2,-1.5 -12,-3.2 1,-0.3 -9,-0.2 0.818 80.7 16.7 -87.4 -35.6 86.9 48.3 0.7 83 84 A L S S- 0 0 38 -3,-0.3 -1,-0.3 -14,-0.2 -14,-0.1 -0.821 83.4-148.9-141.9 94.5 85.8 48.5 4.3 84 85 A P >> - 0 0 9 0, 0.0 3,-1.1 0, 0.0 4,-1.1 -0.322 19.8-125.5 -64.2 145.0 86.6 45.4 6.5 85 86 A A H 3> S+ 0 0 73 1,-0.3 4,-1.9 2,-0.2 3,-0.4 0.888 110.3 61.8 -58.9 -36.4 84.3 44.6 9.3 86 87 A E H 3> S+ 0 0 38 1,-0.2 4,-3.5 2,-0.2 -1,-0.3 0.777 95.0 60.4 -62.0 -29.6 87.3 44.5 11.6 87 88 A T H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.924 107.0 44.8 -65.3 -42.4 88.0 48.2 10.9 88 89 A L H X S+ 0 0 26 -4,-1.1 4,-1.8 -3,-0.4 -2,-0.2 0.890 116.8 47.8 -66.6 -38.1 84.6 49.2 12.3 89 90 A D H X S+ 0 0 103 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.926 111.6 49.0 -67.5 -45.4 85.2 46.8 15.2 90 91 A L H X S+ 0 0 16 -4,-3.5 4,-3.1 2,-0.2 -2,-0.2 0.899 109.8 50.2 -64.1 -42.1 88.8 48.1 15.9 91 92 A I H X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 241,-0.3 0.944 115.3 43.8 -63.1 -45.1 87.8 51.8 15.9 92 93 A R H >< S+ 0 0 95 -4,-1.8 3,-0.6 -5,-0.2 -2,-0.2 0.939 115.9 48.7 -63.3 -46.2 84.9 51.1 18.3 93 94 A E H 3< S+ 0 0 80 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.906 117.4 39.2 -60.5 -46.6 87.2 48.9 20.4 94 95 A Y H 3< S- 0 0 9 -4,-3.1 2,-1.7 -5,-0.2 -81,-0.4 0.442 93.3-146.6 -87.9 -0.6 90.1 51.3 20.6 95 96 A R S << S+ 0 0 30 -4,-0.9 237,-1.5 -3,-0.6 2,-0.4 0.012 72.6 56.1 66.4 -35.9 87.9 54.4 21.0 96 97 A V E + e 0 332C 0 -2,-1.7 2,-0.3 -69,-0.3 237,-0.2 -0.997 59.5 153.4-134.5 133.2 90.1 56.9 19.1 97 98 A A E - e 0 333C 0 235,-1.7 237,-2.9 -2,-0.4 2,-0.3 -0.970 21.9-151.7-152.1 162.3 91.5 56.6 15.6 98 99 A I E -de 30 334C 0 -69,-1.7 -67,-2.1 -2,-0.3 2,-0.3 -0.931 12.1-169.3-136.7 156.0 92.7 58.9 12.7 99 100 A K E -de 31 335C 2 235,-1.7 237,-1.9 -2,-0.3 -67,-0.2 -0.999 18.8-128.4-150.6 152.7 92.8 58.5 8.9 100 101 A G - 0 0 0 -69,-2.3 -67,-0.2 -2,-0.3 -66,-0.1 -0.146 62.6 -52.9 -82.3-174.0 94.2 60.1 5.8 101 102 A P - 0 0 2 0, 0.0 -67,-2.6 0, 0.0 2,-0.4 -0.314 57.1-155.2 -64.1 147.2 91.9 61.0 2.8 102 103 A L - 0 0 13 -69,-0.2 2,-0.4 234,-0.2 12,-0.1 -0.944 5.0-159.0-125.6 145.8 89.7 58.2 1.4 103 104 A T - 0 0 63 -2,-0.4 -32,-0.2 236,-0.1 -70,-0.0 -0.920 10.6-140.0-126.1 147.2 88.2 57.7 -2.0 104 105 A T - 0 0 37 -2,-0.4 2,-0.1 -34,-0.1 8,-0.1 -0.895 22.8-123.7-107.2 133.4 85.2 55.7 -3.1 105 106 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.455 21.1-139.5 -73.8 152.8 85.4 53.7 -6.3 106 107 A V S S+ 0 0 145 1,-0.1 5,-0.1 -2,-0.1 0, 0.0 -0.848 76.7 41.7-114.5 147.1 82.7 54.3 -9.0 107 108 A G S S+ 0 0 81 -2,-0.3 -1,-0.1 3,-0.1 0, 0.0 0.099 96.4 78.2 108.3 -20.4 81.1 51.6 -11.1 108 109 A G S S- 0 0 61 -3,-0.1 3,-0.1 2,-0.1 -2,-0.1 0.309 101.3-115.9-103.0 6.7 80.6 49.1 -8.3 109 110 A G + 0 0 79 1,-0.2 2,-0.4 -4,-0.0 -3,-0.1 0.667 65.1 145.9 69.3 17.5 77.6 50.7 -6.7 110 111 A I - 0 0 65 -5,-0.3 -1,-0.2 1,-0.0 2,-0.2 -0.717 40.0-138.4 -90.0 136.0 79.5 51.4 -3.5 111 112 A R - 0 0 138 -2,-0.4 5,-0.1 1,-0.2 -1,-0.0 -0.531 47.5 -51.9 -91.6 160.5 78.6 54.6 -1.5 112 113 A S > - 0 0 46 -2,-0.2 4,-2.1 1,-0.1 -1,-0.2 0.091 42.1-152.6 -31.4 119.9 81.0 57.0 0.1 113 114 A L H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.838 96.5 56.6 -68.4 -32.4 83.4 55.2 2.4 114 115 A N H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.923 110.4 43.6 -64.8 -43.6 83.7 58.3 4.6 115 116 A V H > S+ 0 0 19 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.879 109.9 57.3 -69.1 -36.0 80.0 58.4 5.1 116 117 A A H X S+ 0 0 16 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.935 106.8 48.5 -58.8 -47.4 79.9 54.6 5.7 117 118 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 6,-0.3 0.921 114.7 46.1 -59.5 -44.4 82.4 55.0 8.6 118 119 A R H <>S+ 0 0 16 -4,-1.8 5,-2.6 2,-0.2 4,-0.3 0.933 117.2 41.0 -64.7 -50.8 80.4 57.8 10.1 119 120 A Q H ><5S+ 0 0 69 -4,-3.1 3,-0.5 3,-0.2 -2,-0.2 0.894 115.2 49.1 -67.0 -44.1 77.0 56.1 9.8 120 121 A E H 3<5S+ 0 0 122 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.781 117.9 39.8 -70.0 -27.1 78.0 52.6 10.8 121 122 A L T 3<5S- 0 0 26 -4,-1.4 209,-0.3 -5,-0.3 -1,-0.2 0.402 108.7-125.8 -98.8 1.4 79.9 53.8 13.9 122 123 A D T < 5 + 0 0 68 -3,-0.5 2,-2.0 -4,-0.3 207,-0.4 0.877 44.9 168.6 54.5 42.6 77.1 56.4 14.6 123 124 A L < + 0 0 1 -5,-2.6 205,-0.3 -6,-0.3 -1,-0.2 -0.605 5.7 174.2 -84.2 78.0 79.6 59.2 14.7 124 125 A Y + 0 0 21 -2,-2.0 30,-2.5 -3,-0.2 2,-0.5 0.522 51.8 73.4 -67.5 -11.0 76.8 61.8 14.7 125 126 A I E -FG 153 327C 11 202,-2.1 202,-2.8 28,-0.2 2,-0.8 -0.937 56.3-169.7-111.8 122.4 79.0 64.9 15.2 126 127 A C E -FG 152 326C 0 26,-2.4 26,-2.8 -2,-0.5 2,-0.6 -0.949 18.6-163.0-106.5 105.6 81.2 66.2 12.3 127 128 A L E +FG 151 325C 14 198,-2.7 198,-1.6 -2,-0.8 24,-0.2 -0.860 16.0 170.9 -98.1 117.7 83.3 68.7 14.1 128 129 A R E -F 150 0C 14 22,-2.5 22,-2.8 -2,-0.6 2,-0.4 -0.877 11.3-168.6-129.4 94.5 85.1 71.2 11.9 129 130 A P E -F 149 0C 30 0, 0.0 2,-0.5 0, 0.0 20,-0.3 -0.716 7.4-166.0 -83.3 134.9 86.8 74.2 13.6 130 131 A V E +F 148 0C 10 18,-3.3 18,-2.7 -2,-0.4 2,-0.3 -0.955 20.1 149.2-127.6 114.5 87.9 76.9 11.2 131 132 A R E -F 147 0C 79 -2,-0.5 2,-0.4 16,-0.2 16,-0.2 -0.844 43.1-106.1-131.8 170.0 90.4 79.6 12.2 132 133 A Y - 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0 0 0 -2,-0.3 4,-2.5 12,-0.2 3,-1.6 -0.256 53.7 -92.1 -74.3 167.7 104.5 73.6 1.0 390 391 A Y H 3> S+ 0 0 54 -41,-0.6 4,-2.8 12,-0.5 5,-0.2 0.805 119.4 63.6 -50.9 -41.7 103.8 74.4 -2.7 391 392 A D H 34 S+ 0 0 36 -42,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.753 115.9 30.9 -58.8 -28.4 100.1 75.1 -2.3 392 393 A F H X4 S+ 0 0 5 -3,-1.6 3,-2.2 2,-0.1 4,-0.2 0.867 117.6 56.1 -90.8 -53.6 100.9 78.0 0.0 393 394 A E H >< S+ 0 0 58 -4,-2.5 3,-1.7 1,-0.3 6,-0.2 0.797 98.5 60.8 -47.8 -42.0 104.2 79.1 -1.6 394 395 A R T 3< S+ 0 0 169 -4,-2.8 -1,-0.3 1,-0.3 -3,-0.1 0.676 106.0 48.2 -64.8 -17.9 102.7 79.5 -5.1 395 396 A L T < S+ 0 0 107 -3,-2.2 2,-0.3 -5,-0.2 -1,-0.3 0.328 110.0 67.5-103.0 6.9 100.4 82.2 -3.7 396 397 A M < - 0 0 29 -3,-1.7 2,-0.4 -4,-0.2 3,-0.3 -0.861 65.9-139.5-129.0 162.3 103.2 84.0 -1.9 397 398 A D S S+ 0 0 150 -2,-0.3 -3,-0.0 1,-0.2 -2,-0.0 -0.914 87.6 19.3-116.9 141.0 106.3 86.0 -2.5 398 399 A G S S+ 0 0 71 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.804 89.5 136.5 72.5 29.3 109.4 85.6 -0.4 399 400 A A - 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