==== 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 20-OCT-06 2NM0 . COMPND 2 MOLECULE: PROBABLE 3-OXACYL-(ACYL-CARRIER-PROTEIN) REDUCTAS . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR C.KHOSLA,Y.TANG,H.Y.LEE,Y.TANG,C.Y.KIM,I.I.MATHEWS . 442 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 37 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 1 0 0 0 0 0 1 3 0 1 1 0 0 0 0 0 0 0 0 0 3 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 0 0 6 4 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 . 0 0 0 0 0 0 0 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 . 0 0 0 0 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 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 0 231 0, 0.0 2,-0.2 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 -73.4 38.5 -49.8 11.3 2 2 A S - 0 0 50 25,-0.1 2,-0.3 1,-0.1 25,-0.2 -0.434 360.0-153.7 -65.8 125.3 40.9 -52.0 9.3 3 3 A R - 0 0 44 -2,-0.2 25,-2.8 67,-0.0 2,-0.7 -0.702 20.6-112.1-101.3 154.2 39.2 -54.0 6.5 4 4 A S E -a 28 0A 0 64,-0.3 66,-2.9 -2,-0.3 67,-1.7 -0.753 44.7-178.1 -80.8 111.9 40.0 -57.3 4.8 5 5 A V E -ab 29 71A 0 23,-3.1 25,-2.6 -2,-0.7 2,-0.4 -0.922 14.6-164.1-115.0 138.1 40.8 -56.3 1.2 6 6 A L E -ab 30 72A 0 65,-2.6 67,-3.2 -2,-0.4 2,-0.6 -0.991 3.2-171.3-121.9 129.2 41.7 -58.6 -1.7 7 7 A V E > -ab 31 73A 0 23,-2.7 25,-1.2 -2,-0.4 3,-1.1 -0.942 14.0-152.2-115.7 107.4 43.3 -57.3 -4.9 8 8 A T E 3 S+ab 32 74A 1 65,-2.3 67,-1.7 -2,-0.6 25,-0.1 -0.605 87.5 16.7 -77.5 137.7 43.5 -60.0 -7.5 9 9 A G T > S+ 0 0 13 23,-0.6 3,-0.5 -2,-0.3 -1,-0.3 0.831 86.5 140.9 67.0 34.7 46.4 -59.3 -9.8 10 10 A G T < + 0 0 0 -3,-1.1 23,-0.1 22,-0.8 10,-0.1 0.229 39.9 89.7 -94.0 14.2 47.8 -57.0 -7.2 11 11 A N T 3 S+ 0 0 23 21,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.681 93.0 17.3 -86.2 -17.8 51.5 -58.0 -7.7 12 12 A R S X> S- 0 0 97 -3,-0.5 4,-1.1 26,-0.1 3,-0.9 -0.967 103.6 -7.0-148.7 162.2 52.4 -55.4 -10.4 13 13 A G H 3> S- 0 0 25 -2,-0.3 4,-2.0 1,-0.3 5,-0.2 -0.160 122.1 -8.1 60.8-135.5 51.4 -52.2 -12.2 14 14 A I H 3> S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.865 134.4 60.3 -67.5 -35.0 48.1 -50.6 -11.4 15 15 A G H <> S+ 0 0 0 -3,-0.9 4,-2.3 -6,-0.2 -1,-0.2 0.904 108.2 45.0 -56.0 -44.3 47.1 -53.7 -9.3 16 16 A L H X S+ 0 0 34 -4,-1.1 4,-3.0 2,-0.2 5,-0.2 0.885 109.5 53.7 -68.3 -39.5 50.1 -53.0 -7.0 17 17 A A H X S+ 0 0 14 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.898 111.8 46.9 -61.2 -38.2 49.5 -49.3 -6.8 18 18 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.948 111.9 49.8 -68.3 -46.5 45.9 -50.1 -5.7 19 19 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.927 111.7 48.3 -58.5 -46.6 47.1 -52.7 -3.2 20 20 A R H X S+ 0 0 95 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.864 107.7 55.5 -60.8 -38.4 49.6 -50.3 -1.7 21 21 A A H X S+ 0 0 25 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.921 110.4 44.8 -65.2 -43.8 47.1 -47.5 -1.4 22 22 A F H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 -2,-0.2 0.916 115.8 46.8 -63.9 -42.4 44.8 -49.8 0.7 23 23 A A H ><5S+ 0 0 33 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.921 110.1 53.1 -65.2 -42.3 47.6 -51.0 2.9 24 24 A D H 3<5S+ 0 0 140 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 105.4 55.9 -61.8 -28.6 49.0 -47.5 3.4 25 25 A A T 3<5S- 0 0 51 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.437 127.4-101.1 -83.4 -2.5 45.5 -46.5 4.5 26 26 A G T < 5S+ 0 0 43 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.500 75.3 137.7 99.6 4.9 45.6 -49.3 7.2 27 27 A D < - 0 0 17 -5,-2.3 2,-0.8 -25,-0.2 -1,-0.3 -0.445 61.7-110.4 -78.1 158.9 43.5 -52.1 5.6 28 28 A K E -a 4 0A 74 -25,-2.8 -23,-3.1 -2,-0.1 2,-0.5 -0.821 43.8-161.2 -89.0 110.6 44.6 -55.7 5.7 29 29 A V E +a 5 0A 7 -2,-0.8 14,-1.9 12,-0.3 2,-0.3 -0.853 18.0 178.2-112.3 125.6 45.5 -56.4 2.1 30 30 A A E -ac 6 43A 0 -25,-2.6 -23,-2.7 -2,-0.5 2,-0.3 -0.810 9.8-167.9-109.4 155.5 45.9 -59.8 0.4 31 31 A I E -ac 7 44A 0 12,-2.5 14,-2.7 -2,-0.3 2,-0.3 -0.965 14.8-137.9-137.9 157.9 46.8 -60.3 -3.3 32 32 A T E +ac 8 45A 7 -25,-1.2 -22,-0.8 -2,-0.3 -23,-0.6 -0.871 26.2 171.5-109.2 150.1 46.7 -63.1 -5.8 33 33 A Y E - c 0 46A 32 12,-1.6 14,-2.6 -2,-0.3 3,-0.1 -0.979 29.8-147.9-151.3 158.6 49.6 -63.6 -8.3 34 34 A R S S- 0 0 150 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.852 74.6 -12.4 -94.8 -45.7 50.6 -66.3 -10.8 35 35 A S S S+ 0 0 38 2,-0.1 -1,-0.3 12,-0.0 2,-0.1 -0.939 91.0 54.1-152.5 172.4 54.4 -66.1 -10.8 36 36 A G S S- 0 0 51 -2,-0.3 -3,-0.0 -3,-0.1 -25,-0.0 -0.338 92.1 -55.9 91.4 179.9 57.4 -64.2 -9.7 37 37 A E - 0 0 164 -2,-0.1 -2,-0.1 -26,-0.0 0, 0.0 -0.900 63.1-124.8 -95.6 125.0 58.3 -63.0 -6.2 38 38 A P - 0 0 29 0, 0.0 -27,-0.1 0, 0.0 -26,-0.1 -0.289 29.6 -94.0 -68.6 158.0 55.4 -60.9 -4.9 39 39 A P > - 0 0 29 0, 0.0 3,-0.7 0, 0.0 2,-0.1 -0.284 49.4 -94.6 -65.8 155.8 55.9 -57.3 -3.6 40 40 A E T 3 S+ 0 0 137 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.377 97.9 41.9 -73.1 149.0 56.5 -56.8 0.2 41 41 A G T 3 S+ 0 0 68 1,-0.3 2,-0.3 -2,-0.1 -12,-0.3 0.279 90.9 96.9 106.7 -6.5 53.7 -56.0 2.6 42 42 A F S < S- 0 0 24 -3,-0.7 2,-1.0 -14,-0.1 -1,-0.3 -0.834 77.2-117.3-119.8 150.0 50.9 -58.3 1.5 43 43 A L E -c 30 0A 39 -14,-1.9 -12,-2.5 -2,-0.3 2,-0.5 -0.765 49.5-164.2 -72.5 105.4 49.4 -61.6 2.3 44 44 A A E -c 31 0A 24 -2,-1.0 2,-0.6 -14,-0.2 -12,-0.2 -0.860 14.3-167.9-109.7 123.9 50.2 -63.0 -1.2 45 45 A V E -c 32 0A 9 -14,-2.7 -12,-1.6 -2,-0.5 2,-0.5 -0.941 14.6-143.4-115.4 116.6 48.6 -66.2 -2.5 46 46 A K E +c 33 0A 130 -2,-0.6 2,-0.3 -14,-0.2 -12,-0.2 -0.696 46.5 128.6 -78.3 121.5 50.1 -67.8 -5.6 47 47 A C - 0 0 8 -14,-2.6 2,-0.7 -2,-0.5 -2,-0.0 -0.992 62.5-111.9-166.6 163.5 47.2 -69.2 -7.7 48 48 A D > - 0 0 34 -2,-0.3 3,-1.8 1,-0.1 7,-0.2 -0.910 25.6-161.7 -98.6 106.6 45.4 -69.5 -11.0 49 49 A I T 3 S+ 0 0 34 -2,-0.7 54,-0.2 1,-0.3 55,-0.1 0.597 84.5 71.3 -72.3 -6.4 42.1 -67.6 -10.5 50 50 A T T 3 S+ 0 0 47 53,-0.1 2,-0.6 1,-0.1 -1,-0.3 0.606 86.0 81.9 -73.5 -10.5 40.6 -69.4 -13.5 51 51 A D S <> S- 0 0 63 -3,-1.8 4,-2.3 1,-0.1 3,-0.2 -0.872 70.6-154.0-106.7 112.6 40.5 -72.6 -11.3 52 52 A T H > S+ 0 0 71 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.803 95.3 49.2 -53.4 -37.3 37.6 -72.8 -8.9 53 53 A E H > S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.885 110.2 49.4 -77.8 -37.6 39.4 -75.1 -6.5 54 54 A Q H > S+ 0 0 74 -3,-0.2 4,-2.4 -6,-0.2 -2,-0.2 0.877 112.2 49.5 -65.5 -39.1 42.5 -72.8 -6.4 55 55 A V H X S+ 0 0 6 -4,-2.3 4,-2.6 -7,-0.2 5,-0.2 0.891 108.2 54.2 -63.9 -41.3 40.2 -69.8 -5.7 56 56 A E H X S+ 0 0 37 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.936 111.9 43.1 -57.7 -46.7 38.5 -71.7 -3.0 57 57 A Q H X S+ 0 0 107 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.885 110.7 55.6 -68.6 -40.8 41.8 -72.4 -1.2 58 58 A A H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.959 111.5 44.1 -52.8 -54.6 43.1 -68.8 -1.8 59 59 A Y H X S+ 0 0 3 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.869 110.1 55.8 -62.1 -37.7 40.0 -67.5 -0.0 60 60 A K H X S+ 0 0 80 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.946 111.2 44.6 -52.3 -52.8 40.3 -70.2 2.7 61 61 A E H X S+ 0 0 89 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.910 115.9 46.2 -62.3 -46.6 43.8 -68.9 3.4 62 62 A I H >X>S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-1.0 0.931 112.2 49.9 -62.2 -47.3 42.8 -65.3 3.3 63 63 A E H 3<5S+ 0 0 47 -4,-3.3 4,-0.5 1,-0.2 -2,-0.2 0.861 109.4 52.7 -62.9 -35.1 39.7 -65.7 5.5 64 64 A E H 3<5S+ 0 0 166 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.795 121.5 31.2 -68.4 -26.0 41.7 -67.6 8.1 65 65 A T H <<5S+ 0 0 89 -4,-1.2 -2,-0.2 -3,-0.5 -3,-0.2 0.867 137.6 14.8 -99.0 -45.7 44.3 -64.8 8.3 66 66 A H T <5S- 0 0 33 -4,-3.4 -3,-0.2 1,-0.3 -2,-0.1 0.578 104.4-112.7-109.2 -17.9 42.5 -61.5 7.6 67 67 A G < - 0 0 22 -5,-1.0 -1,-0.3 -4,-0.5 -2,-0.1 -0.274 63.3 -27.6 96.0 169.2 38.9 -62.5 8.0 68 68 A P S S- 0 0 74 0, 0.0 -64,-0.3 0, 0.0 2,-0.2 -0.224 79.5 -94.9 -60.5 145.1 36.3 -62.6 5.1 69 69 A V + 0 0 4 1,-0.2 -64,-0.2 -10,-0.1 3,-0.1 -0.416 41.7 175.2 -63.4 123.9 37.0 -60.2 2.2 70 70 A E S S+ 0 0 84 -66,-2.9 49,-1.4 1,-0.3 2,-0.4 0.633 74.2 34.9 -99.2 -26.9 35.0 -57.0 2.7 71 71 A V E -bd 5 119A 1 -67,-1.7 -65,-2.6 47,-0.2 2,-0.5 -0.987 68.9-170.0-130.9 121.5 36.5 -55.2 -0.4 72 72 A L E -bd 6 120A 0 47,-2.7 49,-2.8 -2,-0.4 2,-0.6 -0.963 2.7-172.6-113.0 125.8 37.4 -57.1 -3.6 73 73 A I E -bd 7 121A 0 -67,-3.2 -65,-2.3 -2,-0.5 2,-0.9 -0.967 7.7-163.6-114.9 113.3 39.4 -55.4 -6.3 74 74 A A E -bd 8 122A 0 47,-2.3 49,-2.7 -2,-0.6 2,-1.1 -0.851 3.5-160.6-101.5 103.1 39.5 -57.5 -9.3 75 75 A N E + d 0 123A 28 -67,-1.7 49,-0.1 -2,-0.9 47,-0.1 -0.709 16.8 172.3 -84.4 97.9 42.3 -56.2 -11.5 76 76 A A + 0 0 5 47,-1.9 49,-0.2 -2,-1.1 -1,-0.2 0.335 32.6 128.2 -93.4 8.0 41.2 -57.9 -14.8 77 77 A G S S- 0 0 8 47,-0.3 2,-0.3 46,-0.3 48,-0.1 -0.174 74.6 -87.6 -64.9 154.9 43.9 -56.0 -16.8 78 78 A V - 0 0 37 48,-0.2 48,-0.2 1,-0.1 -1,-0.1 -0.501 52.0-142.2 -67.6 121.6 46.3 -57.7 -19.1 79 79 A T > - 0 0 43 -2,-0.3 4,-2.1 -3,-0.1 -1,-0.1 -0.043 22.0 -97.1 -78.4-179.0 49.3 -58.8 -17.0 80 80 A K T 4 S+ 0 0 89 3,-0.2 3,-0.2 2,-0.2 -1,-0.0 0.987 119.9 49.9 -57.2 -65.8 53.1 -58.8 -17.8 81 81 A D T 4 S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.836 115.1 46.2 -44.4 -45.4 53.4 -62.5 -18.8 82 82 A Q T 4 0 0 52 1,-0.1 -1,-0.2 11,-0.0 -2,-0.2 0.913 360.0 360.0 -66.1 -48.2 50.4 -62.1 -21.2 83 83 A L < 0 0 157 -4,-2.1 -2,-0.2 -3,-0.2 -3,-0.2 0.632 360.0 360.0-107.4 360.0 51.6 -58.9 -22.8 84 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 85 87 A M 0 0 156 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.6 51.3 -63.3 -29.8 86 88 A S > - 0 0 47 1,-0.1 4,-1.5 48,-0.0 3,-0.3 -0.444 360.0-111.1 -75.2 156.1 49.2 -61.7 -32.5 87 89 A E T 4 S+ 0 0 54 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.870 117.5 57.9 -55.0 -38.6 46.1 -59.6 -31.4 88 90 A E T >4 S+ 0 0 121 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.880 110.4 40.3 -62.3 -42.4 43.8 -62.3 -33.0 89 91 A D T >4 S+ 0 0 109 -3,-0.3 3,-1.1 1,-0.2 4,-0.4 0.711 102.9 73.9 -79.3 -20.1 45.2 -65.1 -30.8 90 92 A F T >X S+ 0 0 25 -4,-1.5 4,-1.7 1,-0.2 3,-0.9 0.654 73.1 79.9 -67.9 -16.3 45.3 -62.7 -27.8 91 93 A T H <> S+ 0 0 69 -3,-0.7 4,-2.5 -4,-0.5 -1,-0.2 0.835 84.7 63.7 -64.6 -25.6 41.5 -62.8 -27.4 92 94 A S H <> S+ 0 0 66 -3,-1.1 4,-1.5 2,-0.2 -1,-0.3 0.853 102.2 49.1 -61.3 -36.1 42.0 -66.1 -25.6 93 95 A V H <> S+ 0 0 14 -3,-0.9 4,-2.0 -4,-0.4 -1,-0.2 0.921 108.3 53.5 -67.4 -43.2 44.0 -64.2 -22.9 94 96 A V H X S+ 0 0 11 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.897 108.6 49.8 -57.7 -42.4 41.1 -61.7 -22.7 95 97 A E H X S+ 0 0 100 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.832 106.7 54.4 -64.0 -35.1 38.6 -64.6 -22.1 96 98 A T H X S+ 0 0 42 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.897 105.6 54.3 -70.5 -35.2 40.8 -66.1 -19.3 97 99 A N H X S+ 0 0 20 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.893 109.2 47.0 -62.7 -41.8 40.8 -62.7 -17.6 98 100 A L H X S+ 0 0 33 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.954 110.9 51.5 -62.6 -48.2 36.9 -62.6 -17.6 99 101 A T H X S+ 0 0 35 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.917 109.7 49.1 -56.0 -48.0 36.6 -66.2 -16.3 100 102 A G H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.921 110.1 52.8 -57.2 -45.4 39.0 -65.5 -13.3 101 103 A T H X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.931 107.1 51.5 -54.9 -49.2 37.0 -62.3 -12.5 102 104 A F H X S+ 0 0 72 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.915 112.4 46.5 -54.7 -45.5 33.7 -64.3 -12.4 103 105 A R H X S+ 0 0 94 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.913 112.9 45.6 -70.0 -45.0 35.1 -66.9 -10.1 104 106 A V H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.888 115.5 48.4 -67.9 -34.8 36.8 -64.5 -7.6 105 107 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.945 109.9 50.5 -69.5 -45.4 33.7 -62.3 -7.4 106 108 A K H X S+ 0 0 109 -4,-2.4 4,-1.2 -5,-0.3 -2,-0.2 0.943 111.9 48.8 -59.5 -43.5 31.3 -65.2 -7.0 107 109 A R H X S+ 0 0 15 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.887 112.1 47.9 -60.3 -42.5 33.4 -66.5 -4.1 108 110 A A H X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 3,-0.4 0.875 102.6 63.9 -67.4 -36.6 33.6 -63.0 -2.4 109 111 A N H X S+ 0 0 10 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.858 90.9 66.1 -57.0 -36.5 29.8 -62.5 -2.7 110 112 A R H X S+ 0 0 111 -4,-1.2 4,-1.4 -3,-0.2 -1,-0.2 0.942 109.6 35.2 -52.2 -50.2 29.1 -65.4 -0.4 111 113 A A H X S+ 0 0 10 -4,-0.7 4,-1.5 -3,-0.4 -1,-0.2 0.856 115.7 54.3 -76.8 -33.1 30.6 -63.7 2.6 112 114 A M H X>S+ 0 0 1 -4,-1.8 5,-1.6 2,-0.2 4,-0.9 0.906 105.5 54.9 -65.8 -38.6 29.5 -60.2 1.7 113 115 A L H ><5S+ 0 0 64 -4,-3.0 3,-0.6 1,-0.2 -1,-0.2 0.917 108.8 48.3 -58.2 -41.4 25.9 -61.4 1.4 114 116 A R H 3<5S+ 0 0 167 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.807 113.2 46.9 -69.3 -30.1 26.2 -62.8 5.0 115 117 A A H 3<5S- 0 0 67 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.556 101.7-133.9 -85.1 -10.3 27.7 -59.5 6.2 116 118 A K T <<5S+ 0 0 149 -4,-0.9 2,-0.3 -3,-0.6 -3,-0.2 0.846 79.5 79.2 52.3 38.2 25.0 -57.5 4.4 117 119 A K < + 0 0 100 -5,-1.6 2,-0.3 -6,-0.1 44,-0.3 -0.917 50.0 139.0-166.3 141.0 27.9 -55.2 3.2 118 120 A G E - 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