==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-APR-12 4EWQ . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.GRUM-TOKARS,G.MINASOV,S.ROY,J.SCHAVOCKY,J WINSOR,D.M.WATTE . 347 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 27 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 3 1 0 1 1 0 1 0 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 0 1 2 0 1 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 . 1 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 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 5 A R 0 0 159 0, 0.0 89,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 133.6 -25.1 -2.3 8.8 2 6 A P - 0 0 73 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.272 360.0 -93.6 -76.9 170.7 -24.3 -3.8 12.2 3 7 A T - 0 0 98 -2,-0.0 15,-2.6 2,-0.0 2,-0.2 -0.755 43.6-159.6 -89.7 121.0 -26.2 -3.0 15.4 4 8 A F E -A 17 0A 14 -2,-0.6 2,-0.3 13,-0.3 11,-0.0 -0.623 7.0-163.9 -95.8 156.3 -24.5 -0.2 17.4 5 9 A Y E -A 16 0A 37 11,-2.2 11,-1.9 -2,-0.2 2,-0.3 -0.973 12.9-135.0-137.4 152.2 -24.8 0.6 21.1 6 10 A R E +A 15 0A 170 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.806 27.5 156.9-109.7 146.8 -23.8 3.8 23.0 7 11 A Q E -A 14 0A 64 7,-2.1 7,-3.6 -2,-0.3 2,-0.5 -0.973 33.9-124.4-159.0 160.3 -22.0 4.3 26.3 8 12 A E E -A 13 0A 130 -2,-0.3 2,-0.5 5,-0.3 5,-0.3 -0.962 22.5-173.7-114.3 124.4 -19.9 6.9 28.1 9 13 A L E > -A 12 0A 23 3,-3.5 3,-2.5 -2,-0.5 2,-0.1 -0.978 64.9 -40.9-120.8 122.6 -16.4 6.0 29.4 10 14 A N T 3 S- 0 0 134 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.459 123.5 -33.8 54.0-126.6 -14.5 8.5 31.4 11 15 A K T 3 S+ 0 0 184 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.400 124.9 92.7-103.4 4.9 -15.3 11.7 29.5 12 16 A T E < -A 9 0A 36 -3,-2.5 -3,-3.5 2,-0.0 2,-0.3 -0.851 65.5-146.7-104.4 124.4 -15.4 10.0 26.2 13 17 A I E -A 8 0A 66 -2,-0.5 2,-0.4 -5,-0.3 -5,-0.3 -0.659 15.4-157.9 -88.0 147.4 -18.6 8.6 24.6 14 18 A W E -A 7 0A 3 -7,-3.6 -7,-2.1 -2,-0.3 2,-0.5 -0.992 15.3-173.5-131.1 134.2 -18.4 5.4 22.5 15 19 A E E +A 6 0A 56 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.0 -0.928 28.0 155.1-127.6 102.7 -20.7 4.1 19.8 16 20 A V E -A 5 0A 1 -11,-1.9 -11,-2.2 -2,-0.5 -2,-0.0 -0.881 46.7 -86.7-131.4 160.8 -19.7 0.6 18.7 17 21 A P E > -A 4 0A 6 0, 0.0 3,-1.6 0, 0.0 -13,-0.3 -0.274 42.9-113.5 -60.5 151.4 -21.1 -2.5 17.1 18 22 A E T 3 S+ 0 0 79 -15,-2.6 22,-0.1 1,-0.3 -14,-0.1 0.693 108.6 77.8 -59.2 -23.8 -22.5 -5.1 19.5 19 23 A R T 3 S+ 0 0 51 -16,-0.2 21,-3.1 20,-0.1 2,-0.7 0.807 84.2 71.8 -57.2 -29.6 -19.7 -7.6 18.6 20 24 A Y E < S+B 39 0B 0 -3,-1.6 2,-0.3 19,-0.2 19,-0.2 -0.823 71.1 171.9 -94.9 118.0 -17.4 -5.5 20.9 21 25 A Q E +B 38 0B 61 17,-2.5 17,-2.9 -2,-0.7 -2,-0.0 -0.778 45.6 28.9-123.6 163.5 -18.3 -6.0 24.5 22 26 A N E - 0 0 124 -2,-0.3 2,-0.2 15,-0.2 -1,-0.2 0.909 69.6-165.9 56.8 49.0 -16.9 -5.1 27.9 23 27 A L E + 0 0 14 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.500 10.6 177.4 -67.4 130.0 -15.1 -1.9 26.9 24 28 A S E -B 36 0B 61 12,-2.1 12,-3.2 -2,-0.2 2,-0.1 -0.995 33.5-109.1-135.5 130.1 -12.7 -0.8 29.6 25 29 A P E +B 35 0B 57 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.357 31.9 176.4 -62.9 133.3 -10.5 2.3 29.1 26 30 A V E - 0 0 98 8,-2.9 2,-0.2 1,-0.4 9,-0.2 0.647 59.5 -60.8-105.4 -27.2 -6.8 1.6 28.7 27 31 A G E -B 34 0B 32 7,-1.4 7,-2.8 2,-0.0 -1,-0.4 -0.819 43.2-136.5 157.3 165.0 -5.7 5.2 28.1 28 32 A S E +B 33 0B 76 5,-0.2 2,-0.2 -2,-0.2 5,-0.2 -0.964 23.2 147.0-145.1 161.3 -5.9 8.4 26.0 29 33 A G - 0 0 33 3,-2.0 -2,-0.0 -2,-0.3 23,-0.0 -0.846 66.7 -50.6-165.0-161.5 -3.8 11.1 24.4 30 34 A A S S+ 0 0 36 -2,-0.2 22,-0.2 1,-0.2 3,-0.1 0.855 128.6 58.3 -57.5 -37.3 -3.4 13.5 21.5 31 35 A Y S S- 0 0 105 1,-0.2 21,-2.0 20,-0.1 2,-0.3 0.983 119.5 -80.4 -55.8 -66.9 -3.9 10.5 19.2 32 36 A G E - C 0 51B 0 19,-0.3 -3,-2.0 21,-0.0 2,-0.4 -0.898 50.6 -71.0-178.2-165.8 -7.3 9.3 20.4 33 37 A S E -BC 28 50B 17 17,-2.2 17,-2.6 -2,-0.3 2,-0.4 -0.901 41.5-150.6-111.5 147.1 -8.8 7.3 23.3 34 38 A V E -BC 27 49B 25 -7,-2.8 -8,-2.9 -2,-0.4 -7,-1.4 -0.966 12.1-176.1-123.4 134.7 -8.3 3.5 23.6 35 39 A C E -BC 25 48B 2 13,-2.9 13,-3.2 -2,-0.4 2,-0.3 -0.948 22.7-132.3-122.0 145.0 -10.5 0.8 25.2 36 40 A A E +BC 24 47B 12 -12,-3.2 -12,-2.1 -2,-0.4 2,-0.3 -0.730 37.5 169.5 -88.0 148.1 -9.9 -2.9 25.6 37 41 A A E - C 0 46B 8 9,-2.4 9,-2.5 -2,-0.3 2,-0.6 -0.947 37.0-112.1-151.7 167.3 -12.9 -5.0 24.5 38 42 A F E -BC 21 45B 82 -17,-2.9 -17,-2.5 -2,-0.3 2,-0.9 -0.949 24.6-144.1-108.2 122.6 -13.9 -8.6 23.8 39 43 A D E >> -BC 20 44B 2 5,-3.4 4,-2.3 -2,-0.6 5,-0.5 -0.787 12.3-168.7 -87.4 105.3 -14.6 -9.3 20.2 40 44 A T T 45S+ 0 0 77 -21,-3.1 -1,-0.2 -2,-0.9 -20,-0.1 0.723 81.2 59.3 -67.1 -23.3 -17.5 -11.8 20.3 41 45 A K T 45S+ 0 0 132 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.893 122.4 19.3 -75.1 -38.7 -17.2 -12.7 16.6 42 46 A T T 45S- 0 0 41 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.569 97.3-121.4-107.5 -12.2 -13.6 -13.9 16.8 43 47 A G T <5 + 0 0 46 -4,-2.3 2,-0.2 1,-0.3 -3,-0.2 0.540 69.1 134.0 80.5 6.9 -13.1 -14.7 20.5 44 48 A L E < -C 39 0B 68 -5,-0.5 -5,-3.4 -6,-0.0 2,-0.5 -0.582 60.8-125.6 -93.9 150.8 -10.2 -12.2 20.6 45 49 A R E -C 38 0B 171 -7,-0.2 59,-2.0 -2,-0.2 2,-0.3 -0.827 42.5-175.3 -85.9 129.9 -9.4 -9.4 23.0 46 50 A V E -CD 37 103B 0 -9,-2.5 -9,-2.4 -2,-0.5 2,-0.5 -0.828 27.7-128.6-128.7 164.6 -9.0 -6.2 21.0 47 51 A A E -CD 36 102B 16 55,-2.8 55,-2.2 -2,-0.3 2,-0.5 -0.953 21.6-159.5-112.6 132.7 -8.1 -2.6 21.4 48 52 A V E -CD 35 101B 0 -13,-3.2 -13,-2.9 -2,-0.5 2,-0.5 -0.980 4.4-163.8-119.2 118.8 -10.5 -0.1 20.1 49 53 A K E -CD 34 100B 30 51,-3.0 51,-2.6 -2,-0.5 2,-0.6 -0.926 7.0-159.1-107.8 120.4 -9.3 3.4 19.4 50 54 A K E -CD 33 99B 27 -17,-2.6 -17,-2.2 -2,-0.5 49,-0.2 -0.875 28.8-124.5 -94.1 117.8 -11.7 6.3 18.9 51 55 A L E -C 32 0B 11 47,-2.6 2,-0.5 -2,-0.6 -19,-0.3 -0.291 20.1-122.6 -65.2 144.8 -9.8 9.0 17.0 52 56 A S S S- 0 0 51 -21,-2.0 4,-0.2 1,-0.2 -1,-0.1 -0.789 78.6 -26.2 -91.8 127.4 -9.7 12.5 18.6 53 57 A R S > S- 0 0 182 -2,-0.5 3,-1.7 1,-0.1 4,-0.3 0.834 74.9-175.8 38.0 58.5 -11.1 15.4 16.5 54 58 A P T 3 S+ 0 0 7 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.730 77.7 32.2 -56.6 -29.0 -10.3 13.6 13.2 55 59 A F T 3 S+ 0 0 29 41,-0.2 -2,-0.1 1,-0.1 278,-0.1 -0.016 78.5 119.5-123.6 31.3 -11.4 16.5 11.0 56 60 A Q S < S- 0 0 96 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.1 0.829 87.9 -10.4 -60.0 -38.4 -10.4 19.5 13.2 57 61 A S S > S- 0 0 31 -4,-0.3 4,-3.2 -3,-0.2 5,-0.2 -0.923 79.3 -90.2-153.2 173.4 -8.0 20.8 10.6 58 62 A I H > S+ 0 0 71 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.850 127.2 57.2 -62.3 -31.0 -6.3 19.8 7.3 59 63 A I H > S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.930 112.2 38.4 -64.5 -47.3 -3.6 18.5 9.6 60 64 A H H > S+ 0 0 11 2,-0.2 4,-3.1 3,-0.2 -2,-0.2 0.920 116.4 52.3 -68.0 -45.1 -5.9 16.2 11.5 61 65 A A H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.937 113.4 42.4 -58.2 -49.9 -7.9 15.2 8.4 62 66 A K H X S+ 0 0 36 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.863 115.2 51.3 -65.8 -35.3 -4.8 14.2 6.4 63 67 A R H X S+ 0 0 30 -4,-1.7 4,-2.8 -5,-0.3 -2,-0.2 0.888 107.9 52.0 -70.2 -37.9 -3.4 12.4 9.5 64 68 A T H X S+ 0 0 9 -4,-3.1 4,-1.9 -10,-0.4 -2,-0.2 0.931 112.7 45.2 -61.2 -45.4 -6.7 10.5 9.9 65 69 A Y H X S+ 0 0 19 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.944 113.2 51.5 -62.5 -46.5 -6.5 9.4 6.3 66 70 A R H X S+ 0 0 15 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.913 108.8 49.3 -57.3 -47.0 -2.8 8.5 6.7 67 71 A E H X S+ 0 0 30 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.916 113.2 47.5 -63.3 -39.6 -3.3 6.4 9.8 68 72 A L H X S+ 0 0 3 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.923 113.5 46.5 -66.3 -46.2 -6.1 4.5 8.1 69 73 A R H X S+ 0 0 38 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.905 115.4 47.6 -60.8 -41.7 -4.1 4.0 4.9 70 74 A L H X S+ 0 0 6 -4,-3.1 4,-2.2 -5,-0.2 3,-0.5 0.970 113.8 45.5 -65.0 -52.2 -1.0 2.9 6.9 71 75 A L H < S+ 0 0 12 -4,-3.0 11,-1.0 1,-0.2 -2,-0.2 0.874 111.3 53.0 -62.4 -36.6 -3.0 0.5 9.2 72 76 A K H < S+ 0 0 42 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.840 113.5 44.9 -66.7 -29.5 -4.8 -1.0 6.2 73 77 A H H < S+ 0 0 39 -4,-1.5 2,-0.7 -3,-0.5 243,-0.2 0.828 89.2 93.1 -84.0 -33.9 -1.5 -1.7 4.5 74 78 A M < + 0 0 4 -4,-2.2 2,-0.4 6,-0.1 8,-0.3 -0.516 40.7 162.4 -71.5 108.4 0.5 -3.2 7.4 75 79 A K + 0 0 154 -2,-0.7 2,-0.3 6,-0.1 5,-0.1 -0.804 31.7 112.0-125.8 89.4 0.3 -7.0 7.4 76 80 A H B > S-F 79 0C 22 3,-0.5 3,-1.7 -2,-0.4 57,-0.0 -0.980 70.4-120.8-162.5 141.7 3.1 -8.2 9.5 77 81 A E T 3 S+ 0 0 125 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.737 112.5 45.7 -59.5 -26.9 3.5 -10.0 12.8 78 82 A N T 3 S+ 0 0 8 83,-0.1 84,-2.2 51,-0.1 2,-0.4 0.098 105.2 66.3-108.3 22.2 5.6 -7.2 14.3 79 83 A V B < S-Fg 76 162C 2 -3,-1.7 -3,-0.5 82,-0.3 84,-0.2 -0.997 88.8-109.9-139.9 129.7 3.5 -4.2 13.1 80 84 A I - 0 0 16 82,-2.6 2,-0.2 -2,-0.4 -6,-0.1 -0.419 42.9-180.0 -64.2 138.4 0.0 -3.4 14.3 81 85 A G - 0 0 15 -4,-0.1 2,-0.6 -2,-0.1 22,-0.3 -0.717 30.4 -82.8-126.8-179.9 -2.5 -3.9 11.6 82 86 A L + 0 0 16 -11,-1.0 20,-0.2 -8,-0.3 3,-0.1 -0.787 30.5 172.1 -99.6 119.8 -6.3 -3.5 11.3 83 87 A L S S- 0 0 22 18,-2.9 2,-0.3 -2,-0.6 19,-0.2 0.803 78.7 -19.1 -82.5 -32.5 -8.8 -6.1 12.5 84 88 A D E -E 101 0B 25 17,-1.3 17,-2.6 261,-0.1 -1,-0.3 -0.986 51.7-160.1-166.1 161.2 -11.7 -3.6 11.8 85 89 A V E +E 100 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.956 24.0 162.1-151.3 137.3 -12.6 0.0 11.3 86 90 A F E -E 99 0B 14 13,-2.2 13,-2.5 -2,-0.3 -2,-0.0 -0.980 24.9-159.9-154.4 163.1 -16.0 1.5 11.7 87 91 A T - 0 0 16 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.974 24.7-136.0-140.7 145.6 -18.1 4.7 12.1 88 92 A P S S+ 0 0 20 0, 0.0 -84,-0.1 0, 0.0 2,-0.1 0.620 72.4 115.2 -77.5 -9.2 -21.6 4.9 13.4 89 93 A A - 0 0 17 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.344 54.6-159.0 -62.2 133.9 -22.3 7.4 10.6 90 94 A R S S+ 0 0 177 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.580 75.6 14.0 -87.3 -13.2 -24.9 6.1 8.0 91 95 A S S > S- 0 0 48 1,-0.1 3,-0.5 0, 0.0 4,-0.2 -0.978 82.8 -99.5-156.3 165.1 -23.6 8.6 5.4 92 96 A L G > S+ 0 0 68 -2,-0.3 3,-2.1 1,-0.2 -1,-0.1 0.894 115.2 62.1 -55.6 -44.9 -20.8 10.9 4.5 93 97 A E G 3 S+ 0 0 178 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.866 111.3 37.2 -51.6 -44.2 -22.7 14.0 5.7 94 98 A E G < S+ 0 0 133 -3,-0.5 2,-0.7 -6,-0.0 -1,-0.3 0.242 85.3 128.1 -93.8 13.4 -22.9 12.7 9.3 95 99 A F < + 0 0 0 -3,-2.1 3,-0.1 -4,-0.2 242,-0.1 -0.596 17.9 131.0 -74.4 109.0 -19.4 11.2 9.2 96 100 A N + 0 0 90 -2,-0.7 2,-0.4 1,-0.2 -41,-0.2 0.566 53.6 55.3-129.7 -25.9 -17.6 12.6 12.2 97 101 A D - 0 0 42 -3,-0.2 2,-0.4 -44,-0.1 -8,-0.3 -0.928 52.4-164.4-124.6 142.7 -16.0 9.7 14.1 98 102 A V - 0 0 1 -2,-0.4 -47,-2.6 -47,-0.2 2,-0.4 -0.980 4.9-167.3-124.0 133.0 -13.5 6.9 13.2 99 103 A Y E -DE 50 86B 0 -13,-2.5 -13,-2.2 -2,-0.4 2,-0.4 -0.967 4.4-163.2-120.3 132.9 -12.9 3.8 15.3 100 104 A L E -DE 49 85B 9 -51,-2.6 -51,-3.0 -2,-0.4 2,-0.4 -0.919 3.8-159.5-117.2 140.7 -9.9 1.5 14.7 101 105 A V E +DE 48 84B 1 -17,-2.6 -18,-2.9 -2,-0.4 -17,-1.3 -0.967 19.5 152.6-126.2 133.9 -9.6 -2.0 16.0 102 106 A T E -D 47 0B 21 -55,-2.2 -55,-2.8 -2,-0.4 -20,-0.1 -0.886 53.6 -64.4-145.1 174.0 -6.5 -4.2 16.5 103 107 A H E -D 46 0B 72 -2,-0.3 2,-0.3 -22,-0.3 -57,-0.3 -0.392 60.9-107.4 -62.1 138.5 -5.3 -7.0 18.7 104 108 A L - 0 0 37 -59,-2.0 2,-0.5 -67,-0.1 -59,-0.1 -0.552 32.4-167.1 -71.4 130.2 -5.1 -6.0 22.3 105 109 A M - 0 0 32 -2,-0.3 50,-0.1 1,-0.1 49,-0.1 -0.967 5.7-159.4-119.9 110.3 -1.4 -5.5 23.5 106 110 A G + 0 0 71 -2,-0.5 2,-0.3 47,-0.1 49,-0.2 0.567 63.6 20.1 -71.2 -14.7 -1.4 -5.3 27.3 107 111 A A E -H 154 0C 28 47,-1.2 47,-2.4 4,-0.0 2,-0.3 -0.881 61.3-137.9-146.1 174.6 2.0 -3.6 27.9 108 112 A D E >> -H 153 0C 38 45,-0.3 4,-1.8 -2,-0.3 3,-0.5 -0.861 42.4 -93.4-130.8 170.0 4.7 -1.5 26.3 109 113 A L H 3> S+ 0 0 1 43,-1.9 4,-2.3 40,-1.2 41,-0.2 0.660 120.6 61.2 -63.0 -17.8 8.4 -1.7 26.5 110 114 A N H 3> S+ 0 0 53 39,-0.4 4,-2.8 42,-0.2 5,-0.4 0.940 103.2 48.6 -70.1 -49.2 8.5 0.8 29.4 111 115 A N H <> S+ 0 0 72 -3,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.928 114.8 48.1 -53.8 -46.3 6.5 -1.4 31.6 112 116 A I H X S+ 0 0 23 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.940 115.1 41.5 -60.9 -51.8 8.8 -4.2 30.7 113 117 A V H < S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.841 120.1 43.1 -69.5 -33.5 12.1 -2.4 31.3 114 118 A K H < S+ 0 0 180 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.920 114.3 47.4 -79.9 -44.6 11.0 -0.6 34.5 115 119 A C H < S+ 0 0 108 -4,-2.4 2,-0.3 -5,-0.4 -1,-0.2 0.593 125.9 9.8 -74.1 -10.2 9.3 -3.5 36.2 116 120 A Q < - 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