==== 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)) 30-MAY-90 6ICD . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.H.HURLEY,A.M.DEAN,J.L.SOHL,D.E.KOSHLANDJUNIOR,R.M.STROUD . 414 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 72.7 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 . 1 0.2 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 . 33 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 32.6 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 0 1 1 0 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 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.2 95.2 41.0 11.2 2 4 A K + 0 0 93 65,-0.0 2,-0.3 2,-0.0 74,-0.0 0.523 360.0 85.0-101.9 -8.9 97.4 43.0 8.8 3 5 A V S S- 0 0 18 61,-0.0 2,-0.6 64,-0.0 63,-0.1 -0.740 72.7-146.2 -86.1 140.3 98.0 45.7 11.3 4 6 A V - 0 0 122 -2,-0.3 61,-0.2 61,-0.3 3,-0.0 -0.956 12.8-142.1-101.5 107.1 100.9 45.0 13.7 5 7 A V - 0 0 82 -2,-0.6 59,-0.1 1,-0.1 58,-0.1 -0.568 31.3-101.2 -79.1 138.1 100.1 46.5 17.1 6 8 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 -0.322 18.6-137.3 -65.0 139.8 103.3 48.1 18.7 7 9 A A S S+ 0 0 113 -3,-0.0 2,-0.3 -2,-0.0 -2,-0.0 0.843 95.4 46.3 -64.9 -40.7 105.0 46.0 21.4 8 10 A Q S S+ 0 0 61 2,-0.0 2,-0.1 17,-0.0 0, 0.0 -0.822 91.2 78.2 -94.8 148.4 105.6 49.0 23.6 9 11 A G - 0 0 26 -2,-0.3 2,-0.3 17,-0.1 52,-0.1 -0.199 57.6-135.1 120.2 143.5 102.5 51.2 24.1 10 12 A K B -a 25 0A 147 14,-2.1 16,-1.7 -2,-0.1 52,-0.2 -0.869 28.9-103.3-130.5 149.3 99.3 51.2 26.0 11 13 A K - 0 0 83 -2,-0.3 2,-0.2 14,-0.2 82,-0.1 -0.515 31.1-115.7 -76.0 143.9 95.7 52.0 24.9 12 14 A I - 0 0 2 81,-0.6 2,-0.3 14,-0.4 9,-0.2 -0.588 37.7-147.8 -69.1 144.1 94.0 55.4 25.7 13 15 A T E -B 20 0B 69 7,-2.4 7,-3.0 -2,-0.2 2,-0.6 -0.836 8.4-135.5-115.3 153.3 91.1 54.5 28.0 14 16 A L E -B 19 0B 48 -2,-0.3 2,-1.1 5,-0.2 5,-0.2 -0.936 16.4-170.6-108.6 110.3 87.8 56.3 28.2 15 17 A Q E > S-B 18 0B 57 3,-2.9 3,-1.5 -2,-0.6 -2,-0.0 -0.785 70.5 -53.8-106.0 86.3 86.8 56.7 31.8 16 18 A N T 3 S- 0 0 101 -2,-1.1 2,-1.7 1,-0.3 -1,-0.2 0.932 118.7 -26.7 43.1 88.3 83.3 57.9 31.4 17 19 A G T 3 S+ 0 0 75 311,-0.2 -1,-0.3 1,-0.1 2,-0.2 -0.179 122.8 96.7 75.8 -44.6 83.6 60.9 29.0 18 20 A K E < S-B 15 0B 58 -2,-1.7 -3,-2.9 -3,-1.5 2,-0.4 -0.490 72.4-130.5 -82.8 138.1 87.2 61.6 30.2 19 21 A L E -B 14 0B 51 -5,-0.2 2,-0.7 -2,-0.2 -5,-0.2 -0.661 11.2-158.1 -80.5 139.8 90.2 60.3 28.3 20 22 A N E -B 13 0B 93 -7,-3.0 -7,-2.4 -2,-0.4 345,-0.0 -0.915 17.4-169.1-118.2 97.3 92.8 58.6 30.4 21 23 A V - 0 0 32 -2,-0.7 -9,-0.1 -9,-0.2 2,-0.1 -0.805 10.9-143.4 -88.8 120.5 95.9 58.9 28.3 22 24 A P - 0 0 28 0, 0.0 -12,-0.1 0, 0.0 -10,-0.0 -0.514 27.7-110.5 -74.2 163.4 99.0 56.8 29.2 23 25 A E S S+ 0 0 120 1,-0.3 37,-2.5 -2,-0.1 -2,-0.0 0.595 118.7 38.2 -68.5 -15.8 102.5 58.3 28.8 24 26 A N S S+ 0 0 49 35,-0.2 -14,-2.1 -13,-0.1 -1,-0.3 -0.618 85.9 174.3-127.5 73.4 103.2 55.9 25.9 25 27 A P B -a 10 0A 0 0, 0.0 37,-3.3 0, 0.0 2,-0.6 -0.489 32.5-124.6 -81.0 152.0 99.7 55.7 24.1 26 28 A I E -c 62 0C 5 -16,-1.7 -14,-0.4 35,-0.2 37,-0.2 -0.859 28.3-165.6 -90.5 125.0 99.3 53.8 20.8 27 29 A I E -c 63 0C 0 35,-1.8 37,-2.4 -2,-0.6 2,-0.2 -0.967 11.7-141.0-116.9 117.1 97.9 56.1 18.2 28 30 A P E -c 64 0C 0 0, 0.0 69,-1.7 0, 0.0 2,-0.4 -0.506 23.0-174.9 -60.4 135.1 96.5 54.6 15.0 29 31 A Y E -cd 65 97C 31 35,-1.7 37,-2.3 67,-0.2 2,-0.5 -0.988 20.7-146.7-134.3 148.8 97.3 56.7 11.9 30 32 A I E -cd 66 98C 2 67,-2.0 69,-1.7 -2,-0.4 37,-0.1 -0.979 15.4-146.3-110.4 120.7 96.1 56.2 8.3 31 33 A E - 0 0 30 35,-0.6 9,-0.4 -2,-0.5 -1,-0.1 0.845 32.9-135.7 -58.0 -40.3 98.9 57.3 6.0 32 34 A G - 0 0 7 36,-0.3 69,-0.2 67,-0.3 5,-0.2 0.080 12.0 -92.7 94.2 155.1 96.7 58.7 3.2 33 35 A D S > S+ 0 0 12 67,-2.8 3,-2.3 3,-0.2 2,-0.1 -0.434 88.7 9.9 -92.3 168.1 96.8 58.4 -0.5 34 36 A G T > S+ 0 0 23 1,-0.3 3,-1.4 2,-0.1 306,-0.2 -0.424 143.0 3.7 65.3-131.1 98.4 60.7 -2.9 35 37 A I T >> S+ 0 0 6 304,-2.7 4,-2.8 1,-0.2 3,-2.2 0.465 110.1 93.7 -66.3 -3.0 100.5 63.2 -1.1 36 38 A G H <> S+ 0 0 0 -3,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.950 79.9 61.3 -50.7 -40.0 99.6 61.3 2.2 37 39 A V H <4 S+ 0 0 68 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.658 113.6 34.1 -61.1 -20.7 102.9 59.5 1.4 38 40 A D H <> S+ 0 0 15 -3,-2.2 4,-1.2 -4,-0.1 -2,-0.2 0.800 119.0 45.0 -99.1 -45.4 104.6 62.9 1.8 39 41 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 3,-0.3 0.935 105.8 58.6 -75.9 -39.8 102.7 64.8 4.4 40 42 A T H X S+ 0 0 2 -4,-1.8 4,-2.5 -9,-0.4 5,-0.2 0.837 100.8 53.6 -64.0 -39.8 102.4 62.1 7.0 41 43 A P H > S+ 0 0 63 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.936 110.3 52.0 -55.7 -38.8 106.2 61.4 7.5 42 44 A A H X S+ 0 0 1 -4,-1.2 4,-3.2 -3,-0.3 5,-0.3 0.949 109.9 47.0 -63.2 -46.1 106.5 65.1 8.2 43 45 A M H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.941 110.4 50.3 -64.5 -43.3 103.7 65.0 10.8 44 46 A L H X S+ 0 0 33 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.954 114.8 47.6 -61.0 -43.3 105.1 61.9 12.6 45 47 A K H X S+ 0 0 72 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.962 113.4 44.1 -61.6 -52.8 108.5 63.7 12.7 46 48 A V H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.799 116.4 47.8 -72.9 -19.3 107.2 67.1 13.9 47 49 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.3 5,-0.3 0.884 111.7 48.4 -82.5 -38.8 104.9 65.5 16.6 48 50 A D H X S+ 0 0 58 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.914 114.0 48.9 -63.3 -38.9 107.6 63.2 17.9 49 51 A A H X S+ 0 0 23 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.964 111.7 48.2 -65.1 -53.1 109.9 66.2 18.0 50 52 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.884 115.7 43.0 -65.4 -30.1 107.4 68.3 19.8 51 53 A V H X S+ 0 0 4 -4,-2.8 4,-1.8 1,-0.2 6,-0.4 0.870 111.0 56.2 -86.6 -18.5 106.6 65.6 22.4 52 54 A E H <>S+ 0 0 118 -4,-2.3 5,-0.7 -5,-0.3 4,-0.3 0.914 115.3 38.9 -69.9 -37.0 110.3 64.8 22.8 53 55 A K H ><5S+ 0 0 103 -4,-2.5 3,-1.3 3,-0.2 -2,-0.2 0.970 112.3 56.3 -78.2 -48.4 110.9 68.4 23.7 54 56 A A H 3<5S+ 0 0 27 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.840 121.8 21.9 -57.2 -41.1 107.7 69.0 25.8 55 57 A Y T ><5S- 0 0 23 -4,-1.8 3,-2.1 4,-0.2 -1,-0.3 0.185 100.6-122.5-116.9 16.6 108.1 66.4 28.3 56 58 A K T < 5S- 0 0 182 -3,-1.3 -3,-0.2 -4,-0.3 -4,-0.1 0.872 78.1 -40.9 47.8 46.7 111.9 65.8 28.1 57 59 A G T 3 S- 0 0 0 12,-2.7 4,-1.2 -2,-0.3 34,-0.1 -0.432 116.3 -17.8 97.5-152.9 91.6 53.9 0.9 70 72 A E H >> S+ 0 0 75 1,-0.2 3,-1.6 2,-0.2 4,-1.1 0.931 133.8 54.8 -60.1 -56.5 93.7 52.9 -2.0 71 73 A K H >> S+ 0 0 64 -3,-0.3 4,-0.8 1,-0.3 3,-0.6 0.873 101.4 61.6 -50.8 -39.7 96.6 51.7 0.1 72 74 A S H >> S+ 0 0 0 -4,-0.3 4,-3.1 1,-0.3 3,-1.1 0.883 98.9 55.2 -52.7 -38.7 94.2 49.3 2.0 73 75 A T H < - 0 0 37 -4,-2.1 3,-2.3 -5,-0.4 -1,-0.2 0.125 53.9 -76.4 114.2 135.2 93.2 42.8 -1.7 78 80 A Q T 3 S+ 0 0 151 1,-0.3 -5,-0.1 -4,-0.1 -1,-0.1 0.474 120.4 56.5 -39.8 -19.3 91.9 45.0 -4.4 79 81 A D T 3 S+ 0 0 90 -6,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.658 85.5 82.4 -93.3 -16.6 88.2 45.0 -3.3 80 82 A V < + 0 0 44 -3,-2.3 -4,-0.3 1,-0.2 -5,-0.2 -0.819 36.9 158.1-104.8 110.9 88.5 46.3 0.3 81 83 A W S S+ 0 0 42 -2,-0.8 -12,-2.7 1,-0.2 -9,-0.2 0.681 79.4 33.4 -94.0 -34.9 88.7 50.1 0.5 82 84 A L S S- 0 0 45 -14,-0.2 -1,-0.2 -10,-0.1 -14,-0.1 -0.832 82.2-148.8-128.6 92.8 87.5 50.3 4.1 83 85 A P >> - 0 0 7 0, 0.0 3,-1.7 0, 0.0 4,-1.0 -0.360 17.0-131.0 -55.6 135.1 88.6 47.3 6.3 84 86 A A H 3> S+ 0 0 71 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.805 107.7 59.3 -57.8 -27.0 86.1 46.4 9.1 85 87 A E H 3> S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.652 91.5 65.6 -81.3 -13.0 89.1 46.4 11.5 86 88 A T H <> S+ 0 0 0 -3,-1.7 4,-2.6 2,-0.2 5,-0.2 0.959 106.8 44.8 -66.6 -42.4 90.0 50.1 10.8 87 89 A L H X S+ 0 0 16 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.924 115.4 46.3 -67.2 -46.2 86.6 50.8 12.4 88 90 A D H X S+ 0 0 76 -4,-1.7 4,-3.1 1,-0.2 5,-0.2 0.975 114.0 48.4 -59.4 -50.1 87.2 48.5 15.3 89 91 A L H X S+ 0 0 15 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.835 112.8 46.1 -65.4 -32.1 90.7 49.8 15.8 90 92 A I H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 241,-0.2 0.942 114.7 48.7 -73.3 -40.7 89.8 53.5 15.8 91 93 A R H < S+ 0 0 101 -4,-2.3 3,-0.3 -5,-0.2 -2,-0.2 0.928 118.7 42.0 -54.7 -48.6 86.9 52.6 18.1 92 94 A E H < S+ 0 0 87 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.873 116.4 42.4 -69.0 -50.9 89.3 50.7 20.3 93 95 A Y H < S- 0 0 14 -4,-2.6 2,-1.3 -5,-0.2 -81,-0.6 0.570 96.5-143.7 -83.3 -1.9 92.4 52.9 20.4 94 96 A R S < S+ 0 0 63 -4,-1.2 237,-2.2 -3,-0.3 2,-0.4 -0.278 70.3 43.9 69.7 -44.9 90.2 56.0 20.9 95 97 A V E + e 0 331C 0 -2,-1.3 2,-0.3 235,-0.2 237,-0.2 -1.000 61.4 164.3-131.2 140.6 92.1 58.7 18.9 96 98 A A E - e 0 332C 0 235,-1.9 237,-2.2 -2,-0.4 2,-0.3 -0.886 20.5-144.9-138.6 172.6 93.6 58.4 15.4 97 99 A I E -de 29 333C 0 -69,-1.7 -67,-2.0 -2,-0.3 2,-0.3 -0.982 17.2-160.8-141.5 147.8 94.8 60.7 12.7 98 100 A K E -de 30 334C 2 235,-2.2 237,-2.0 -2,-0.3 -67,-0.2 -0.960 16.6-138.1-143.4 160.1 94.7 60.6 8.9 99 101 A G - 0 0 0 -69,-1.7 -67,-0.3 -2,-0.3 240,-0.1 -0.289 58.9 -59.5 -88.5 178.2 95.9 61.7 5.6 100 102 A P - 0 0 2 0, 0.0 -67,-2.8 0, 0.0 2,-0.3 -0.366 57.6-147.3 -62.5 143.4 93.9 62.4 2.4 101 103 A L - 0 0 14 -69,-0.2 2,-0.5 -3,-0.1 238,-0.2 -0.876 2.4-137.7-120.2 150.2 91.8 59.4 1.3 102 104 A T - 0 0 42 -2,-0.3 -32,-0.2 -34,-0.1 -70,-0.0 -0.933 9.8-166.8-110.2 126.5 90.8 58.3 -2.3 103 105 A T - 0 0 37 -2,-0.5 2,-0.1 -34,-0.1 8,-0.1 -0.956 24.9-134.2-103.7 127.0 87.3 57.0 -3.1 104 106 A P - 0 0 28 0, 0.0 3,-0.4 0, 0.0 2,-0.3 -0.444 8.1-135.8 -77.1 152.6 87.3 55.3 -6.6 105 107 A V S S+ 0 0 148 1,-0.2 5,-0.0 -2,-0.1 0, 0.0 -0.794 85.9 45.1-105.0 157.8 84.6 55.9 -9.3 106 108 A G S S+ 0 0 82 -2,-0.3 -1,-0.2 3,-0.1 0, 0.0 0.154 95.9 85.7 101.1 -14.6 83.2 53.1 -11.3 107 109 A G S S- 0 0 46 -3,-0.4 3,-0.1 2,-0.1 -2,-0.1 0.456 96.9-118.2 -98.9 1.8 82.8 51.0 -8.0 108 110 A G + 0 0 82 1,-0.2 2,-0.4 -4,-0.1 -3,-0.1 0.587 67.6 147.3 69.3 7.5 79.4 52.1 -6.6 109 111 A I - 0 0 65 -5,-0.3 -1,-0.2 1,-0.0 2,-0.1 -0.587 40.4-142.3 -90.0 131.6 81.5 53.3 -3.6 110 112 A R - 0 0 137 -2,-0.4 5,-0.1 1,-0.1 -1,-0.0 -0.442 48.3 -59.8 -80.6 158.2 80.5 56.4 -1.5 111 113 A D > - 0 0 75 1,-0.1 4,-2.6 -2,-0.1 3,-0.3 -0.109 42.9-151.5 -42.0 106.1 83.0 58.9 -0.0 112 114 A L H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.829 95.5 54.0 -58.6 -31.7 85.4 57.0 2.4 113 115 A N H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.949 113.0 43.4 -62.0 -44.0 86.0 60.2 4.6 114 116 A V H > S+ 0 0 18 -3,-0.3 4,-2.2 2,-0.2 5,-0.3 0.902 110.7 56.8 -68.2 -37.4 82.2 60.5 5.0 115 117 A A H X S+ 0 0 24 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.952 106.9 48.6 -60.5 -46.5 82.0 56.6 5.5 116 118 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 6,-0.3 0.932 111.3 52.0 -57.0 -39.9 84.4 56.9 8.4 117 119 A R H <>S+ 0 0 17 -4,-1.9 5,-2.5 2,-0.2 -2,-0.2 0.929 118.6 32.8 -65.8 -45.0 82.3 59.8 9.9 118 120 A Q H ><5S+ 0 0 74 -4,-2.2 3,-1.3 3,-0.2 -1,-0.2 0.919 115.9 55.0 -79.7 -49.9 78.9 58.0 9.8 119 121 A E H 3<5S+ 0 0 119 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.776 120.0 33.6 -59.5 -27.3 80.1 54.5 10.4 120 122 A L T 3<5S- 0 0 18 -4,-1.6 -1,-0.3 -5,-0.3 209,-0.3 0.350 106.4-128.3-107.4 6.6 81.9 55.7 13.7 121 123 A D T < 5 + 0 0 69 -3,-1.3 2,-1.8 1,-0.2 207,-0.5 0.866 43.2 167.4 43.6 49.7 79.2 58.3 14.4 122 124 A L < + 0 0 0 -5,-2.5 205,-0.3 -6,-0.3 -1,-0.2 -0.679 9.2 176.6 -86.9 80.5 81.8 61.1 14.8 123 125 A Y + 0 0 20 -2,-1.8 30,-3.1 -3,-0.2 2,-0.5 0.508 51.4 73.6 -74.7 -7.5 79.0 63.6 14.6 124 126 A I E -FG 152 326C 15 202,-2.1 202,-2.7 28,-0.2 2,-0.8 -0.940 55.8-171.1-108.0 119.1 81.1 66.8 15.2 125 127 A C E -FG 151 325C 0 26,-3.0 26,-2.5 -2,-0.5 2,-0.6 -0.935 17.6-162.9-105.0 105.8 83.3 68.1 12.4 126 128 A L E -FG 150 324C 16 198,-2.5 198,-1.5 -2,-0.8 24,-0.2 -0.845 12.4-179.5 -97.0 122.6 85.3 70.8 14.1 127 129 A R E -F 149 0C 21 22,-2.5 22,-2.0 -2,-0.6 2,-0.7 -0.856 6.3-169.5-125.6 93.9 87.1 73.3 11.9 128 130 A P E -F 148 0C 34 0, 0.0 2,-0.6 0, 0.0 20,-0.3 -0.757 9.4-174.8 -80.0 109.2 89.1 76.0 13.6 129 131 A V E +F 147 0C 13 18,-2.2 18,-2.5 -2,-0.7 2,-0.3 -0.947 14.2 152.3-111.9 128.8 90.2 78.6 11.1 130 132 A R E -F 146 0C 79 -2,-0.6 2,-0.3 16,-0.2 16,-0.2 -0.885 44.3-103.7-131.1 167.3 92.5 81.4 12.2 131 133 A Y - 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0 0 7 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.518 26.2-161.3 -69.4 127.5 102.7 71.8 2.3 351 353 A P > + 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.349 60.4 110.1 -95.1 11.6 102.3 69.6 5.4 352 354 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.907 70.4 54.5 -41.5 -67.8 100.6 72.3 7.4 353 355 A S H > S+ 0 0 0 -34,-2.0 4,-2.1 1,-0.2 -30,-0.3 0.854 112.3 38.5 -37.1 -61.1 97.1 70.8 7.5 354 356 A I H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.871 115.3 55.0 -71.6 -30.7 97.8 67.4 8.9 355 357 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 -3,-0.3 -1,-0.2 0.920 110.3 45.4 -65.1 -42.1 100.4 68.8 11.3 356 358 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.3 -1,-0.2 0.853 109.1 54.6 -73.5 -31.8 97.9 71.3 12.8 357 359 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.863 106.3 55.3 -64.7 -33.1 95.3 68.5 13.0 358 360 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.3 0.944 104.0 51.0 -69.4 -41.4 98.0 66.7 14.9 359 361 A E H X S+ 0 0 23 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.941 109.9 51.2 -62.5 -34.4 98.3 69.7 17.4 360 362 A M H X S+ 0 0 19 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.917 110.8 49.0 -57.5 -43.4 94.4 69.4 17.7 361 363 A M H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.945 112.1 48.4 -55.3 -49.3 95.0 65.7 18.4 362 364 A L H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 3,-0.5 0.884 111.5 48.5 -62.2 -38.5 97.6 66.5 21.0 363 365 A R H ><5S+ 0 0 90 -4,-2.6 3,-1.6 1,-0.3 5,-0.2 0.902 107.0 56.1 -68.8 -39.6 95.4 69.1 22.7 364 366 A H H 3<5S+ 0 0 69 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.716 105.6 52.5 -65.7 -30.3 92.5 66.6 22.8 365 367 A M T 3<5S- 0 0 12 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.367 121.7-110.0 -82.5 -5.9 94.8 64.2 24.7 366 368 A G T < 5S+ 0 0 44 -3,-1.6 2,-1.3 -4,-0.2 3,-0.2 0.576 77.9 135.2 85.3 12.3 95.6 67.0 27.1 367 369 A W >< + 0 0 9 -5,-2.7 4,-2.4 1,-0.2 3,-0.3 -0.282 19.7 158.6 -94.3 59.8 99.1 67.3 25.9 368 370 A T H > + 0 0 59 -2,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.762 64.1 54.6 -47.8 -41.7 98.9 71.0 25.8 369 371 A E H > S+ 0 0 93 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.954 109.6 46.2 -67.4 -50.7 102.6 71.7 26.0 370 372 A A H > S+ 0 0 0 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.933 114.4 49.0 -55.6 -48.5 103.4 69.6 22.9 371 373 A A H >X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-0.6 0.950 109.2 52.2 -60.2 -49.3 100.5 71.2 20.9 372 374 A D H 3X S+ 0 0 78 -4,-2.8 4,-1.5 1,-0.3 -1,-0.2 0.810 105.3 55.7 -55.8 -35.3 101.6 74.7 21.9 373 375 A L H 3X S+ 0 0 32 -4,-2.1 4,-2.8 -3,-0.2 -1,-0.3 0.925 104.7 53.7 -66.3 -37.3 105.1 73.9 20.6 374 376 A I H S+ 0 0 0 -4,-3.0 5,-2.0 2,-0.2 -1,-0.2 0.903 117.1 45.6 -54.3 -45.9 108.5 78.9 10.1 382 384 A I H ><5S+ 0 0 0 -4,-2.9 3,-2.2 1,-0.2 -2,-0.2 0.967 114.3 48.1 -66.1 -48.5 105.8 80.9 8.4 383 385 A N H 3<5S+ 0 0 100 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.791 104.1 59.7 -63.0 -30.3 107.1 84.1 9.8 384 386 A A T 3<5S- 0 0 53 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.447 109.6-126.0 -75.7 0.8 110.7 83.2 8.8 385 387 A K T < 5 + 0 0 92 -3,-2.2 14,-2.6 1,-0.2 2,-1.2 0.733 67.2 139.8 55.4 31.5 109.3 83.0 5.2 386 388 A T E < +o 399 0E 17 -5,-2.0 -1,-0.2 12,-0.2 2,-0.2 -0.696 35.6 154.1-107.6 87.9 110.8 79.5 5.1 387 389 A V E -o 400 0E 0 12,-1.3 14,-3.1 -2,-1.2 2,-0.2 -0.557 48.5-104.7-128.6 167.6 108.0 78.0 3.3 388 390 A T E >> -o 401 0E 0 12,-0.2 4,-1.9 -2,-0.2 3,-1.7 -0.551 53.2 -88.6 -93.5 167.3 106.8 75.3 1.0 389 391 A Y H 3> S+ 0 0 45 -41,-0.7 4,-2.9 12,-0.6 5,-0.2 0.797 120.3 57.4 -52.6 -50.2 106.0 76.0 -2.7 390 392 A D H 34 S+ 0 0 18 -42,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.715 115.8 36.2 -52.5 -35.6 102.4 77.0 -2.5 391 393 A F H X4 S+ 0 0 8 -3,-1.7 3,-0.7 2,-0.1 4,-0.3 0.734 114.2 57.3 -86.7 -28.7 103.2 79.9 -0.0 392 394 A E H >< S+ 0 0 65 -4,-1.9 3,-2.0 1,-0.2 6,-0.2 0.927 95.5 63.6 -70.5 -39.0 106.5 80.8 -1.7 393 395 A R T 3< S+ 0 0 144 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.746 112.5 38.5 -52.5 -26.9 104.8 81.3 -5.1 394 396 A L T < S+ 0 0 103 -3,-0.7 2,-0.4 -5,-0.2 -1,-0.3 0.343 103.7 80.5-107.1 4.5 103.0 84.2 -3.5 395 397 A M < - 0 0 24 -3,-2.0 2,-0.6 -4,-0.3 3,-0.4 -0.839 68.2-137.3-111.1 148.7 105.6 85.6 -1.2 396 398 A D S S+ 0 0 153 -2,-0.4 -3,-0.0 1,-0.2 -2,-0.0 -0.879 89.4 12.0 -98.6 128.2 108.4 88.0 -2.1 397 399 A G S S+ 0 0 71 -2,-0.6 2,-0.2 1,-0.2 -1,-0.2 0.850 89.7 138.7 82.0 35.3 111.6 87.1 -0.5 398 400 A A - 0 0 23 -3,-0.4 2,-0.5 -6,-0.2 -1,-0.2 -0.699 51.7-120.1-107.8 165.8 110.9 83.6 0.9 399 401 A K E -o 386 0E 123 -14,-2.6 -12,-1.3 -2,-0.2 2,-0.5 -0.900 26.8-128.2-106.0 125.3 113.0 80.4 0.9 400 402 A L E -o 387 0E 99 -2,-0.5 2,-0.3 -14,-0.1 -12,-0.2 -0.635 32.6-178.5 -81.5 120.9 111.6 77.4 -1.0 401 403 A L E -o 388 0E 12 -14,-3.1 -12,-0.6 -2,-0.5 2,-0.1 -0.824 24.1-121.9-117.1 155.2 111.6 74.3 1.2 402 404 A K > - 0 0 103 -2,-0.3 4,-2.9 -14,-0.2 -54,-0.2 -0.408 39.9 -94.9 -81.6 172.6 110.5 70.9 0.5 403 405 A C H > S+ 0 0 0 -56,-2.4 4,-2.0 2,-0.2 3,-0.1 0.963 124.5 45.0 -55.6 -57.6 107.8 69.2 2.5 404 406 A S H > S+ 0 0 38 -57,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.904 112.1 53.8 -57.8 -36.5 110.2 67.4 4.9 405 407 A E H > S+ 0 0 86 2,-0.3 4,-3.3 1,-0.2 -1,-0.3 0.912 103.4 53.6 -68.8 -44.8 112.2 70.5 5.3 406 408 A F H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.909 106.8 56.4 -57.6 -30.7 109.2 72.6 6.3 407 409 A G H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 3,-0.4 0.981 111.2 41.5 -53.0 -57.4 108.8 69.8 8.8 408 410 A D H X S+ 0 0 73 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.860 108.8 58.6 -61.7 -34.7 112.3 70.6 10.0 409 411 A A H X S+ 0 0 3 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.853 107.0 49.8 -66.0 -34.0 111.7 74.4 9.8 410 412 A I H < S+ 0 0 0 -4,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.911 111.9 46.0 -70.3 -41.5 108.8 73.8 12.3 411 413 A I H >< S+ 0 0 55 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.932 110.0 55.6 -71.0 -41.9 111.1 71.8 14.7 412 414 A E H 3< S+ 0 0 150 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.856 108.2 48.2 -57.3 -36.5 113.9 74.5 14.3 413 415 A N T 3< 0 0 47 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.302 360.0 360.0 -81.3 11.5 111.4 77.2 15.4 414 416 A M < 0 0 24 -3,-1.9 -1,-0.2 -38,-0.1 -2,-0.1 0.573 360.0 360.0 -81.8 360.0 110.1 75.2 18.5