==== 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 (NAD(A)-CHOH(D)) 29-JUL-91 9ICD . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.H.HURLEY,A.M.DEAN,D.E.KOSHLAND JR.,R.M.STROUD . 414 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 8.0 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 . 35 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 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 1 1 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 2 1 1 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 3 A S 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -47.9 95.1 41.1 11.3 2 4 A K + 0 0 101 2,-0.0 2,-0.4 0, 0.0 74,-0.0 0.357 360.0 95.1-102.0 6.2 97.5 42.8 9.0 3 5 A V - 0 0 20 61,-0.0 2,-0.7 64,-0.0 63,-0.1 -0.797 68.1-144.6 -97.5 137.5 98.1 45.6 11.6 4 6 A V - 0 0 121 -2,-0.4 61,-0.2 61,-0.3 3,-0.1 -0.894 12.2-148.1 -96.7 105.2 101.0 45.3 13.9 5 7 A V - 0 0 81 -2,-0.7 59,-0.1 1,-0.1 58,-0.1 -0.573 33.9 -96.9 -78.8 135.7 100.1 46.7 17.3 6 8 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 -0.310 18.0-138.1 -62.8 138.7 103.2 48.2 19.1 7 9 A A S S+ 0 0 119 -3,-0.1 2,-0.2 -2,-0.0 -2,-0.0 0.906 96.6 41.8 -58.4 -49.1 105.1 46.1 21.6 8 10 A Q S S+ 0 0 56 17,-0.0 2,-0.0 2,-0.0 54,-0.0 -0.454 92.0 73.5 -86.4 165.5 105.4 49.1 23.9 9 11 A G - 0 0 25 -2,-0.2 2,-0.3 17,-0.1 17,-0.1 0.012 58.9-128.5 102.8 152.5 102.4 51.4 24.3 10 12 A K B -a 25 0A 146 14,-2.2 16,-1.7 83,-0.0 52,-0.1 -0.957 27.1-102.5-137.3 146.2 99.1 51.3 26.1 11 13 A K - 0 0 91 -2,-0.3 2,-0.2 14,-0.2 82,-0.1 -0.393 33.9-117.9 -66.7 142.9 95.5 52.0 25.0 12 14 A I - 0 0 3 81,-0.6 2,-0.3 14,-0.3 9,-0.2 -0.605 37.3-142.8 -73.8 149.4 93.9 55.4 25.9 13 15 A T E -B 20 0B 66 7,-2.1 7,-2.7 -2,-0.2 2,-0.7 -0.876 11.3-137.3-123.6 145.2 90.9 54.7 28.1 14 16 A L E -B 19 0B 52 -2,-0.3 2,-0.9 5,-0.2 5,-0.2 -0.917 18.3-177.0-104.2 107.9 87.5 56.2 28.4 15 17 A Q E > S-B 18 0B 60 3,-3.0 3,-0.6 -2,-0.7 -2,-0.0 -0.744 71.5 -55.4-109.2 77.7 86.7 56.6 32.0 16 18 A N T 3 S- 0 0 100 -2,-0.9 -1,-0.2 1,-0.2 2,-0.1 0.955 118.8 -21.5 43.4 95.8 83.2 58.0 31.5 17 19 A G T 3 S+ 0 0 82 311,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.163 123.1 92.8 70.9 -18.2 83.3 61.0 29.4 18 20 A K E < S-B 15 0B 55 -3,-0.6 -3,-3.0 -2,-0.1 2,-0.3 -0.887 70.2-132.1-116.1 136.8 87.0 61.5 30.2 19 21 A L E -B 14 0B 49 -2,-0.4 2,-0.7 -5,-0.2 -5,-0.2 -0.566 10.2-158.8 -79.5 138.6 90.1 60.3 28.5 20 22 A N E -B 13 0B 103 -7,-2.7 -7,-2.1 -2,-0.3 345,-0.0 -0.932 16.7-166.9-120.1 102.8 92.8 58.7 30.5 21 23 A V - 0 0 28 -2,-0.7 -9,-0.1 -9,-0.2 -10,-0.1 -0.864 7.7-145.2 -93.8 118.9 95.9 59.0 28.5 22 24 A P - 0 0 31 0, 0.0 -10,-0.0 0, 0.0 -1,-0.0 -0.063 28.3-107.8 -65.2 175.0 99.0 57.0 29.4 23 25 A E S S+ 0 0 119 1,-0.3 37,-2.7 36,-0.1 -2,-0.0 0.684 119.0 35.2 -80.0 -24.6 102.6 58.3 28.9 24 26 A N S S+ 0 0 46 35,-0.2 -14,-2.2 -13,-0.1 -1,-0.3 -0.560 85.9 176.3-125.6 67.3 103.1 56.0 26.0 25 27 A P B -a 10 0A 0 0, 0.0 37,-2.8 0, 0.0 2,-0.6 -0.290 31.1-123.7 -70.7 150.2 99.6 55.8 24.2 26 28 A I E -c 62 0C 5 -16,-1.7 -14,-0.3 35,-0.2 69,-0.3 -0.866 28.4-167.2 -90.7 127.3 99.1 53.9 21.0 27 29 A I E -c 63 0C 0 35,-1.9 37,-2.4 -2,-0.6 2,-0.2 -0.977 13.3-139.6-116.3 117.0 97.8 56.2 18.3 28 30 A P E -c 64 0C 0 0, 0.0 69,-1.9 0, 0.0 2,-0.4 -0.518 23.0-172.4 -58.1 130.5 96.3 54.7 15.1 29 31 A Y E -cd 65 97C 33 35,-2.3 37,-2.5 67,-0.2 2,-0.6 -0.999 18.5-151.6-129.9 141.3 97.3 56.7 12.0 30 32 A I E -cd 66 98C 4 67,-2.5 69,-2.2 -2,-0.4 37,-0.1 -0.956 12.7-150.6-103.8 116.5 96.0 56.2 8.4 31 33 A E - 0 0 30 -2,-0.6 9,-0.3 35,-0.6 -1,-0.1 0.855 31.7-139.4 -53.7 -40.6 98.7 57.4 6.0 32 34 A G - 0 0 6 36,-0.3 69,-0.2 67,-0.3 -1,-0.1 0.125 14.1 -86.9 88.2 152.6 96.4 58.5 3.2 33 35 A D S > S+ 0 0 9 67,-2.2 3,-2.2 3,-0.1 2,-0.1 -0.313 91.2 8.3 -85.2 170.2 96.6 58.2 -0.5 34 36 A G T > S+ 0 0 23 1,-0.3 3,-1.2 2,-0.2 306,-0.2 -0.344 139.4 5.6 67.6-129.5 98.3 60.6 -2.9 35 37 A I T >> S+ 0 0 8 304,-2.1 4,-2.6 1,-0.2 3,-1.8 0.432 108.1 91.8 -71.0 -5.3 100.3 63.2 -1.0 36 38 A G H <> S+ 0 0 0 -3,-2.2 4,-1.6 1,-0.3 -1,-0.2 0.802 80.0 63.5 -54.8 -25.2 99.5 61.4 2.3 37 39 A V H <4 S+ 0 0 67 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.718 112.0 34.5 -73.4 -20.5 102.8 59.7 1.6 38 40 A D H <> S+ 0 0 18 -3,-1.8 4,-1.0 2,-0.1 -2,-0.2 0.802 121.5 42.9 -96.3 -43.7 104.5 63.1 1.9 39 41 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -3,-0.2 0.919 107.2 56.7 -78.2 -40.4 102.5 64.9 4.6 40 42 A T H X S+ 0 0 2 -4,-1.6 4,-2.6 -9,-0.3 5,-0.2 0.920 105.6 50.6 -63.0 -48.7 102.1 62.0 7.2 41 43 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.887 110.9 52.0 -50.6 -39.4 106.0 61.4 7.5 42 44 A A H X S+ 0 0 1 -4,-1.0 4,-2.1 1,-0.2 -2,-0.2 0.946 112.2 44.1 -65.6 -41.8 106.3 65.1 8.1 43 45 A M H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.906 108.9 55.2 -72.2 -40.4 103.7 65.1 10.9 44 46 A L H X S+ 0 0 34 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.945 112.1 47.1 -57.6 -43.5 104.9 61.9 12.6 45 47 A K H X S+ 0 0 66 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.890 113.3 44.1 -66.9 -43.5 108.3 63.7 12.8 46 48 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.845 114.7 49.6 -79.1 -24.1 107.1 67.1 14.2 47 49 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.956 112.0 48.7 -73.6 -46.3 104.7 65.5 16.7 48 50 A D H X S+ 0 0 59 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.925 112.7 48.7 -54.5 -43.1 107.5 63.3 18.0 49 51 A A H X S+ 0 0 25 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.903 112.0 48.8 -68.6 -37.3 109.8 66.3 18.2 50 52 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.845 112.5 45.2 -74.7 -31.6 107.3 68.3 20.1 51 53 A V H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 6,-0.4 0.908 113.3 53.1 -81.0 -25.3 106.4 65.6 22.7 52 54 A E H X>S+ 0 0 121 -4,-2.4 4,-0.6 -5,-0.3 5,-0.6 0.938 114.3 41.9 -61.6 -49.0 110.2 65.0 23.1 53 55 A K H ><5S+ 0 0 108 -4,-2.6 3,-0.6 -5,-0.2 -2,-0.2 0.950 115.9 47.3 -68.7 -44.1 110.7 68.7 23.7 54 56 A A H 3<5S+ 0 0 29 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.879 124.5 26.8 -66.3 -40.6 107.7 69.3 26.1 55 57 A Y H ><5S- 0 0 21 -4,-2.0 3,-2.4 -5,-0.2 -1,-0.2 0.234 98.8-126.2-113.8 14.0 108.0 66.4 28.4 56 58 A K T <<5S- 0 0 182 -4,-0.6 -3,-0.2 -3,-0.6 -4,-0.1 0.803 76.1 -45.1 50.2 40.0 111.7 65.8 28.2 57 59 A G T 3 + 0 0 1 -2,-0.4 3,-0.5 14,-0.1 -36,-0.3 -0.953 55.2 13.7-157.2 152.4 91.8 52.8 4.4 69 71 A G T 3> S- 0 0 0 12,-2.5 4,-1.4 -2,-0.3 3,-0.4 -0.489 118.8 -15.1 86.1-152.1 91.6 53.8 0.8 70 72 A E H 3> S+ 0 0 76 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.885 134.8 55.7 -58.9 -40.9 93.9 52.9 -2.0 71 73 A K H <> S+ 0 0 62 -3,-0.5 4,-0.7 1,-0.2 3,-0.5 0.852 101.3 59.8 -64.5 -29.2 96.6 51.6 0.4 72 74 A S H >> S+ 0 0 0 -3,-0.4 4,-2.9 1,-0.2 3,-1.0 0.905 100.9 53.6 -64.8 -39.2 94.0 49.3 2.0 73 75 A T H 3X S+ 0 0 6 -4,-1.4 4,-1.1 -3,-0.5 -1,-0.2 0.792 107.5 52.5 -67.5 -24.3 93.4 47.5 -1.3 74 76 A Q H 3< S+ 0 0 129 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.591 117.9 36.2 -82.5 -10.6 97.2 46.9 -1.6 75 77 A V H << S+ 0 0 42 -3,-1.0 -2,-0.2 -4,-0.7 -3,-0.2 0.771 133.3 22.1-108.8 -41.6 97.4 45.3 1.9 76 78 A Y H < S- 0 0 48 -4,-2.9 -3,-0.2 4,-0.3 -2,-0.2 0.436 120.3 -73.5-111.1 -4.8 94.1 43.4 2.0 77 79 A G >< - 0 0 33 -4,-1.1 3,-2.3 -5,-0.4 -1,-0.2 -0.044 51.5 -75.7 117.3 142.1 93.1 42.9 -1.6 78 80 A Q T 3 S+ 0 0 147 1,-0.3 -5,-0.1 -4,-0.1 -1,-0.1 0.514 122.4 49.4 -43.3 -24.0 91.7 45.0 -4.5 79 81 A D T 3 S+ 0 0 90 -3,-0.1 2,-1.0 -6,-0.1 -1,-0.3 0.388 84.9 87.7-100.5 -3.4 88.1 45.2 -3.1 80 82 A V < + 0 0 43 -3,-2.3 -4,-0.3 1,-0.2 -3,-0.1 -0.824 36.3 157.7-110.0 101.7 88.5 46.2 0.5 81 83 A W S S+ 0 0 40 -2,-1.0 -12,-2.5 1,-0.3 -9,-0.2 0.741 79.1 26.5 -88.2 -31.4 88.6 50.0 0.6 82 84 A L S S- 0 0 43 -3,-0.2 -1,-0.3 -14,-0.2 -14,-0.1 -0.810 80.9-150.6-135.7 94.6 87.5 50.2 4.3 83 85 A P >> - 0 0 9 0, 0.0 3,-1.4 0, 0.0 4,-0.8 -0.345 20.7-125.4 -58.8 140.8 88.5 47.1 6.4 84 86 A A H 3> S+ 0 0 72 1,-0.3 4,-1.2 2,-0.2 5,-0.1 0.760 107.8 62.3 -60.4 -23.3 86.0 46.4 9.3 85 87 A E H 3> S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.648 88.9 65.7 -82.0 -16.8 89.0 46.4 11.7 86 88 A T H <> S+ 0 0 0 -3,-1.4 4,-2.5 2,-0.2 5,-0.2 0.937 105.9 46.7 -62.7 -42.5 89.9 50.1 11.0 87 89 A L H X S+ 0 0 17 -4,-0.8 4,-1.9 1,-0.2 -2,-0.2 0.873 113.9 46.3 -67.6 -37.3 86.5 50.9 12.6 88 90 A D H X S+ 0 0 73 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.885 113.6 49.2 -68.9 -41.9 87.1 48.6 15.6 89 91 A L H X S+ 0 0 15 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.871 111.2 47.6 -69.4 -36.0 90.6 49.9 16.1 90 92 A I H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 241,-0.3 0.945 115.2 47.7 -71.2 -42.2 89.6 53.6 16.0 91 93 A R H < S+ 0 0 98 -4,-1.9 -2,-0.2 -5,-0.2 3,-0.2 0.925 116.9 44.9 -52.8 -49.1 86.8 52.7 18.4 92 94 A E H < S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.852 116.9 38.4 -73.4 -43.8 89.2 50.8 20.6 93 95 A Y H < S- 0 0 13 -4,-2.6 2,-1.1 -5,-0.1 -81,-0.6 0.560 95.4-144.0 -91.0 -3.6 92.2 53.1 20.8 94 96 A R S < S+ 0 0 60 -4,-1.2 237,-2.2 -3,-0.2 2,-0.4 -0.125 70.7 52.2 74.6 -41.6 90.0 56.2 21.0 95 97 A V E + e 0 331C 0 -2,-1.1 2,-0.3 -69,-0.3 237,-0.2 -0.999 59.3 160.3-133.2 136.6 92.0 58.8 19.0 96 98 A A E - e 0 332C 1 235,-2.0 237,-2.8 -2,-0.4 2,-0.3 -0.935 22.6-143.9-140.9 166.4 93.5 58.5 15.5 97 99 A I E -de 29 333C 1 -69,-1.9 -67,-2.5 -2,-0.3 2,-0.4 -0.979 16.1-164.6-134.4 147.8 94.7 60.7 12.8 98 100 A K E -de 30 334C 2 235,-2.4 237,-1.8 -2,-0.3 -67,-0.2 -0.971 14.2-141.8-139.7 149.2 94.5 60.4 9.0 99 101 A G - 0 0 0 -69,-2.2 -67,-0.3 -2,-0.4 -66,-0.1 -0.130 58.6 -54.0 -85.2-168.7 95.9 61.7 5.7 100 102 A P - 0 0 1 0, 0.0 -67,-2.2 0, 0.0 2,-0.4 -0.404 57.4-143.4 -71.9 143.1 93.9 62.4 2.5 101 103 A L - 0 0 14 -69,-0.2 2,-0.6 -3,-0.1 238,-0.3 -0.909 4.0-140.5-114.3 139.1 91.7 59.4 1.2 102 104 A T - 0 0 46 -2,-0.4 -32,-0.1 -34,-0.1 -70,-0.0 -0.871 12.6-167.0 -89.6 115.5 91.0 58.3 -2.4 103 105 A T - 0 0 43 -2,-0.6 8,-0.1 -34,-0.1 -2,-0.0 -0.951 24.6-132.5 -95.0 125.5 87.3 57.1 -2.9 104 106 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.272 8.9-136.3 -75.2 153.9 87.2 55.3 -6.4 105 107 A V S S+ 0 0 147 1,-0.1 5,-0.0 3,-0.1 0, 0.0 -0.875 81.9 42.8-106.0 156.4 84.6 55.9 -9.2 106 108 A G S S+ 0 0 82 -2,-0.3 -1,-0.1 3,-0.1 0, 0.0 -0.099 96.5 80.3 109.3 -28.5 83.0 53.0 -11.2 107 109 A G S S- 0 0 52 2,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.180 101.5-112.7 -99.5 17.8 82.5 50.8 -8.1 108 110 A G + 0 0 80 1,-0.2 2,-0.5 -4,-0.0 -3,-0.1 0.766 66.9 150.3 57.4 25.1 79.3 52.3 -6.5 109 111 A I - 0 0 65 -5,-0.3 -1,-0.2 -28,-0.0 2,-0.2 -0.797 35.7-148.6 -99.3 125.2 81.4 53.4 -3.6 110 112 A R - 0 0 137 -2,-0.5 5,-0.1 1,-0.2 -5,-0.0 -0.572 48.9 -54.0 -82.5 154.1 80.4 56.5 -1.6 111 113 A S > - 0 0 48 -2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.114 40.3-151.2 -26.4 115.6 82.9 58.9 0.1 112 114 A L H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.844 97.3 57.8 -69.1 -28.4 85.3 57.0 2.5 113 115 A N H > S+ 0 0 41 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.892 109.3 42.3 -62.7 -45.4 85.5 60.2 4.6 114 116 A V H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.813 110.3 60.5 -71.2 -26.1 81.8 60.3 5.1 115 117 A A H X S+ 0 0 20 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.920 104.9 46.7 -66.7 -41.4 81.8 56.5 5.7 116 118 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 6,-0.2 0.879 114.2 48.0 -63.5 -43.8 84.2 56.8 8.7 117 119 A R H <>S+ 0 0 18 -4,-1.4 5,-2.1 2,-0.2 4,-0.3 0.906 117.7 40.1 -69.4 -43.4 82.2 59.7 10.3 118 120 A Q H ><5S+ 0 0 70 -4,-2.4 3,-0.8 3,-0.2 -2,-0.2 0.924 115.9 49.5 -72.0 -43.5 78.8 57.9 9.9 119 121 A E H 3<5S+ 0 0 117 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.811 120.7 35.6 -64.5 -35.5 80.1 54.4 10.8 120 122 A L T 3<5S- 0 0 15 -4,-1.8 209,-0.3 -5,-0.2 -1,-0.3 0.361 106.8-126.2-102.0 6.5 81.8 55.7 14.0 121 123 A D T < 5 + 0 0 68 -3,-0.8 2,-1.5 -4,-0.3 207,-0.5 0.873 43.6 168.2 47.7 45.8 79.1 58.3 14.7 122 124 A L < + 0 0 2 -5,-2.1 205,-0.3 -6,-0.2 -1,-0.2 -0.707 6.7 176.6 -86.2 83.1 81.6 61.1 14.9 123 125 A Y + 0 0 21 -2,-1.5 30,-2.1 -3,-0.1 2,-0.5 0.503 52.6 72.7 -75.8 -5.6 78.8 63.8 14.8 124 126 A I E -FG 152 326C 11 202,-1.8 202,-2.4 28,-0.2 2,-0.7 -0.928 55.0-171.0-113.0 124.4 81.0 66.8 15.2 125 127 A C E -FG 151 325C 0 26,-2.4 26,-2.5 -2,-0.5 2,-0.7 -0.963 17.1-163.0-110.3 113.5 83.2 68.1 12.5 126 128 A L E +FG 150 324C 18 198,-2.9 198,-1.8 -2,-0.7 24,-0.2 -0.903 13.6 175.3-105.0 115.7 85.3 70.7 14.2 127 129 A R E -F 149 0C 21 22,-2.4 22,-2.4 -2,-0.7 2,-0.4 -0.919 8.7-167.8-122.5 101.0 87.1 73.1 11.9 128 130 A P E -F 148 0C 35 0, 0.0 2,-0.5 0, 0.0 20,-0.3 -0.749 4.8-169.5 -84.5 130.1 89.0 76.0 13.5 129 131 A V E +F 147 0C 13 18,-3.0 18,-2.7 -2,-0.4 2,-0.3 -0.956 17.6 150.0-128.3 121.6 90.2 78.8 11.3 130 132 A R E -F 146 0C 80 -2,-0.5 2,-0.4 16,-0.2 16,-0.2 -0.897 43.7-106.3-132.5 165.7 92.5 81.4 12.3 131 133 A Y - 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