==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-MAY-12 4FA2 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.L.GRUM-TOKARS,G.MINASOV,W.F.ANDERSON,D.M.WATTERSON . 339 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 63.7 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 13.0 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 . 22 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 28.3 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+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 1 0 1 0 1 0 1 0 1 1 1 0 0 0 1 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 4 A E 0 0 256 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.1 -25.9 -4.9 6.0 2 5 A R - 0 0 100 3,-0.0 3,-0.0 0, 0.0 89,-0.0 -0.998 360.0-120.4-130.8 135.6 -24.8 -2.6 8.9 3 6 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.229 31.7-100.5 -70.4 166.8 -24.1 -3.8 12.4 4 7 A T - 0 0 96 2,-0.0 15,-2.5 0, 0.0 2,-0.3 -0.765 39.7-155.0 -87.8 130.3 -26.0 -2.6 15.4 5 8 A F E -A 18 0A 39 -2,-0.4 2,-0.3 13,-0.3 11,-0.1 -0.737 9.0-167.0-103.2 155.0 -24.2 0.0 17.4 6 9 A Y E -A 17 0A 51 11,-2.1 11,-1.8 -2,-0.3 2,-0.3 -0.984 14.2-134.0-138.4 147.4 -24.5 0.9 21.1 7 10 A R E +A 16 0A 155 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.778 24.1 165.6-109.8 155.3 -23.2 3.9 23.0 8 11 A Q E -A 15 0A 64 7,-1.6 7,-3.4 -2,-0.3 2,-0.5 -0.980 30.2-127.5-158.7 147.8 -21.4 4.3 26.2 9 12 A E E +A 14 0A 139 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.923 26.8 178.4-106.9 123.6 -19.4 7.1 28.0 10 13 A L E > -A 13 0A 26 3,-3.7 3,-2.0 -2,-0.5 -2,-0.0 -0.977 68.6 -22.8-128.2 118.1 -15.9 6.1 29.3 11 14 A N T 3 S- 0 0 117 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.925 126.8 -47.8 48.9 55.6 -13.7 8.7 31.0 12 15 A K T 3 S+ 0 0 190 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.160 120.6 108.8 77.3 -20.2 -15.4 11.7 29.4 13 16 A T E < -A 10 0A 38 -3,-2.0 -3,-3.7 2,-0.0 2,-0.4 -0.764 63.9-138.2 -97.2 133.6 -15.2 10.0 25.9 14 17 A I E -A 9 0A 59 -2,-0.4 2,-0.5 -5,-0.3 -5,-0.2 -0.732 16.1-162.4 -86.9 132.1 -18.3 8.7 24.1 15 18 A W E -A 8 0A 5 -7,-3.4 -7,-1.6 -2,-0.4 2,-0.6 -0.978 9.8-177.1-119.8 121.6 -17.8 5.3 22.4 16 19 A E E +A 7 0A 45 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.943 25.4 155.5-119.1 103.2 -20.2 4.2 19.7 17 20 A V E -A 6 0A 1 -11,-1.8 -11,-2.1 -2,-0.6 -2,-0.0 -0.870 46.4 -85.3-131.1 161.1 -19.3 0.7 18.6 18 21 A P E > -A 5 0A 4 0, 0.0 3,-1.8 0, 0.0 -13,-0.3 -0.284 41.8-114.7 -61.0 148.5 -20.7 -2.5 17.0 19 22 A E T 3 S+ 0 0 92 -15,-2.5 22,-0.1 1,-0.3 -14,-0.1 0.723 109.6 75.6 -57.5 -24.6 -22.4 -5.0 19.4 20 23 A R T 3 S+ 0 0 59 -16,-0.2 21,-3.0 1,-0.1 2,-0.7 0.817 84.7 72.5 -57.4 -32.2 -19.7 -7.5 18.5 21 24 A Y E < S+B 40 0B 0 -3,-1.8 2,-0.2 19,-0.2 19,-0.2 -0.800 71.2 173.5 -91.6 113.7 -17.3 -5.5 20.8 22 25 A Q E +B 39 0B 61 17,-2.9 17,-2.8 -2,-0.7 -2,-0.0 -0.692 45.8 28.7-117.8 165.8 -18.1 -6.0 24.4 23 26 A N E S- 0 0 128 -2,-0.2 -1,-0.2 15,-0.2 14,-0.1 0.879 70.8-160.9 54.1 49.3 -16.7 -5.1 27.8 24 27 A L E - 0 0 15 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.376 11.3-177.5 -61.2 132.2 -14.9 -2.0 26.8 25 28 A S E -B 37 0B 67 12,-2.4 12,-3.0 -2,-0.1 -15,-0.0 -0.962 28.1-116.9-137.9 118.9 -12.3 -1.0 29.3 26 29 A P E +B 36 0B 50 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.267 31.4 174.1 -58.2 133.0 -10.2 2.2 29.0 27 30 A V E - 0 0 97 8,-3.1 2,-0.3 1,-0.4 9,-0.2 0.751 59.0 -44.6-105.4 -40.8 -6.5 1.6 28.6 28 31 A G E -B 35 0B 29 7,-1.4 7,-3.0 2,-0.0 -1,-0.4 -0.949 45.6-138.0 176.3 164.4 -5.2 5.2 27.9 29 32 A S E +B 34 0B 82 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.901 18.7 165.8-135.7 163.1 -5.7 8.5 26.1 30 33 A G - 0 0 36 3,-1.7 3,-0.1 -2,-0.3 -2,-0.0 -0.883 54.6 -74.5-159.4-172.9 -3.6 11.1 24.3 31 34 A A S S+ 0 0 79 137,-1.0 3,-0.1 -2,-0.3 137,-0.1 0.869 127.5 39.9 -63.4 -37.6 -3.8 14.1 22.0 32 35 A Y S S- 0 0 97 1,-0.2 21,-2.5 20,-0.1 2,-0.3 0.626 126.1 -38.2 -92.0 -16.2 -4.6 11.9 18.9 33 36 A G E - C 0 52B 3 19,-0.3 -3,-1.7 -3,-0.1 2,-0.3 -0.984 48.4-108.4 174.8 178.0 -7.0 9.3 20.4 34 37 A S E -BC 29 51B 11 17,-1.8 17,-2.7 -2,-0.3 2,-0.4 -0.936 26.0-145.1-128.9 154.7 -8.0 7.0 23.2 35 38 A V E -BC 28 50B 26 -7,-3.0 -8,-3.1 -2,-0.3 -7,-1.4 -0.963 10.6-171.3-129.4 138.2 -7.9 3.3 23.5 36 39 A C E -BC 26 49B 2 13,-2.5 13,-3.4 -2,-0.4 2,-0.3 -0.930 21.2-133.0-122.3 146.8 -10.1 0.6 25.0 37 40 A A E +BC 25 48B 21 -12,-3.0 -12,-2.4 -2,-0.3 2,-0.3 -0.750 39.1 166.4 -88.4 145.0 -9.6 -3.1 25.5 38 41 A A E - C 0 47B 7 9,-2.5 9,-2.5 -2,-0.3 2,-0.5 -0.948 37.3-112.0-151.4 172.0 -12.6 -5.1 24.5 39 42 A F E -BC 22 46B 62 -17,-2.8 -17,-2.9 -2,-0.3 2,-0.9 -0.964 22.7-145.7-113.2 126.3 -13.7 -8.6 23.7 40 43 A D E >> -BC 21 45B 1 5,-3.1 4,-2.6 -2,-0.5 5,-0.5 -0.819 9.6-168.3 -94.4 106.1 -14.7 -9.4 20.1 41 44 A T T 45S+ 0 0 82 -21,-3.0 -1,-0.1 -2,-0.9 -20,-0.1 0.702 82.2 60.6 -68.6 -20.4 -17.5 -11.9 20.2 42 45 A K T 45S+ 0 0 147 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.895 122.1 19.5 -74.7 -39.3 -17.2 -12.7 16.5 43 46 A T T 45S- 0 0 37 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.1 0.628 97.3-123.7-103.4 -19.6 -13.7 -13.9 16.6 44 47 A G T <5 + 0 0 44 -4,-2.6 2,-0.2 1,-0.3 -3,-0.2 0.464 68.0 136.5 83.7 5.9 -13.3 -14.7 20.3 45 48 A L E < -C 40 0B 50 -5,-0.5 -5,-3.1 -6,-0.1 2,-0.5 -0.544 59.4-126.2 -90.9 147.5 -10.3 -12.4 20.4 46 49 A R E -C 39 0B 166 -7,-0.2 59,-2.3 -2,-0.2 2,-0.3 -0.783 41.9-174.2 -84.5 131.5 -9.3 -9.7 22.9 47 50 A V E -CD 38 104B 0 -9,-2.5 -9,-2.5 -2,-0.5 2,-0.5 -0.832 29.4-132.9-128.6 163.5 -8.8 -6.5 21.0 48 51 A A E -CD 37 103B 15 55,-3.0 55,-2.4 -2,-0.3 2,-0.5 -0.977 22.7-161.0-112.6 131.0 -7.7 -2.9 21.4 49 52 A V E -CD 36 102B 1 -13,-3.4 -13,-2.5 -2,-0.5 2,-0.5 -0.968 1.9-161.4-116.3 122.7 -10.0 -0.3 19.9 50 53 A K E -CD 35 101B 20 51,-3.3 51,-2.8 -2,-0.5 2,-0.6 -0.917 2.2-159.4-106.0 126.2 -8.7 3.2 19.2 51 54 A K E -CD 34 100B 23 -17,-2.7 -17,-1.8 -2,-0.5 49,-0.2 -0.917 22.2-128.4-103.5 120.9 -11.1 6.1 18.7 52 55 A L E -C 33 0B 6 47,-2.3 2,-0.6 -2,-0.6 -19,-0.3 -0.366 19.0-125.7 -68.4 143.7 -9.4 9.0 16.9 53 56 A S S S- 0 0 49 -21,-2.5 4,-0.2 1,-0.2 -1,-0.1 -0.823 76.7 -26.2 -96.4 122.5 -9.8 12.3 18.5 54 57 A R S > S- 0 0 177 -2,-0.6 3,-1.8 1,-0.1 4,-0.2 0.884 74.0-175.9 45.1 56.0 -11.2 15.2 16.4 55 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.710 77.2 35.1 -57.9 -24.8 -10.1 13.5 13.1 56 59 A F T 3 S+ 0 0 16 41,-0.2 -2,-0.1 1,-0.1 6,-0.1 0.009 76.1 121.9-121.2 28.9 -11.2 16.4 10.9 57 60 A Q S < S- 0 0 125 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.1 0.807 86.4 -10.4 -58.5 -35.2 -10.5 19.4 13.1 58 61 A S S > S- 0 0 35 -4,-0.2 4,-2.6 -3,-0.2 5,-0.2 -0.917 80.5 -88.1-154.1 176.7 -8.3 20.9 10.5 59 62 A I H > S+ 0 0 75 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.932 127.8 51.4 -60.4 -41.2 -6.5 20.1 7.2 60 63 A I H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 111.7 44.1 -60.7 -49.1 -3.6 18.8 9.3 61 64 A H H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 114.3 51.7 -61.1 -42.0 -5.8 16.5 11.5 62 65 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.880 111.5 44.6 -64.9 -42.6 -7.6 15.3 8.4 63 66 A K H X S+ 0 0 31 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.871 113.7 52.2 -67.3 -38.7 -4.5 14.4 6.5 64 67 A R H X S+ 0 0 77 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.880 108.6 50.7 -62.1 -43.0 -3.1 12.7 9.7 65 68 A T H X S+ 0 0 8 -4,-2.5 4,-2.4 -10,-0.4 5,-0.2 0.941 113.0 44.8 -61.6 -48.2 -6.3 10.7 10.0 66 69 A Y H X S+ 0 0 16 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.937 112.5 52.8 -61.7 -45.7 -6.0 9.5 6.4 67 70 A R H X S+ 0 0 51 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.917 110.6 46.8 -56.6 -46.4 -2.3 8.8 6.8 68 71 A E H X S+ 0 0 11 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.933 113.7 46.9 -64.7 -46.0 -2.9 6.6 9.8 69 72 A L H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.922 113.8 48.2 -64.1 -43.3 -5.7 4.7 8.2 70 73 A R H X S+ 0 0 34 -4,-3.1 4,-1.2 -5,-0.2 -2,-0.2 0.924 114.1 47.0 -60.5 -46.1 -3.8 4.1 5.0 71 74 A L H >X S+ 0 0 14 -4,-2.5 4,-1.9 -5,-0.2 3,-0.7 0.956 113.5 47.1 -59.3 -53.3 -0.7 3.0 6.9 72 75 A L H 3< S+ 0 0 15 -4,-2.9 11,-0.8 1,-0.3 -1,-0.2 0.842 109.6 53.8 -60.5 -37.2 -2.6 0.6 9.2 73 76 A K H 3< S+ 0 0 37 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.797 112.4 45.8 -67.4 -26.5 -4.5 -0.9 6.3 74 77 A H H << S+ 0 0 37 -4,-1.2 2,-0.6 -3,-0.7 234,-0.2 0.837 88.1 94.3 -85.5 -34.2 -1.2 -1.6 4.6 75 78 A M < + 0 0 3 -4,-1.9 2,-0.4 6,-0.2 8,-0.3 -0.493 39.8 160.7 -72.5 109.2 0.8 -3.1 7.4 76 79 A K + 0 0 163 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.786 30.5 112.3-129.1 83.4 0.5 -6.9 7.4 77 80 A H B > S-F 80 0C 17 3,-0.5 3,-1.7 -2,-0.4 57,-0.0 -0.987 70.3-119.3-156.0 144.7 3.4 -8.3 9.4 78 81 A E T 3 S+ 0 0 110 -2,-0.3 56,-0.1 1,-0.3 4,-0.1 0.667 113.3 44.0 -63.2 -21.7 3.7 -10.2 12.7 79 82 A N T 3 S+ 0 0 8 83,-0.1 84,-2.2 54,-0.1 2,-0.4 0.095 104.1 72.5-111.8 21.8 5.8 -7.4 14.3 80 83 A V B < S-Fg 77 163C 2 -3,-1.7 -3,-0.5 82,-0.3 2,-0.2 -1.000 87.4-110.0-135.7 133.2 3.8 -4.4 13.1 81 84 A I + 0 0 13 82,-2.6 2,-0.2 -2,-0.4 84,-0.2 -0.476 48.0 169.0 -62.8 125.6 0.4 -3.3 14.4 82 85 A G - 0 0 15 -2,-0.2 2,-0.5 -8,-0.1 22,-0.2 -0.694 32.6 -80.0-126.2-172.5 -2.2 -3.9 11.7 83 86 A L + 0 0 19 -11,-0.8 20,-0.2 -8,-0.3 3,-0.1 -0.788 28.3 171.1-106.1 128.8 -6.0 -3.8 11.5 84 87 A L S S- 0 0 26 18,-2.9 2,-0.3 -2,-0.5 19,-0.2 0.755 83.0 -13.0 -85.7 -34.2 -8.5 -6.4 12.4 85 88 A D E -E 102 0B 24 17,-1.4 17,-2.6 252,-0.1 -1,-0.3 -0.982 51.7-162.0-162.3 160.1 -11.3 -3.9 11.8 86 89 A V E +E 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.957 25.8 162.6-148.6 135.7 -12.1 -0.2 11.2 87 90 A F E -E 100 0B 14 13,-2.3 13,-2.4 -2,-0.3 246,-0.0 -0.980 25.7-157.5-153.1 166.1 -15.5 1.3 11.6 88 91 A T - 0 0 14 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.988 21.2-141.5-143.8 139.5 -17.6 4.4 12.0 89 92 A P S S+ 0 0 15 0, 0.0 -84,-0.1 0, 0.0 10,-0.1 0.706 70.9 115.2 -71.5 -18.7 -21.1 4.8 13.4 90 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.2 6,-0.1 -0.228 57.8-155.1 -53.9 136.5 -21.8 7.4 10.6 91 94 A R S S+ 0 0 165 1,-0.1 2,-0.3 4,-0.1 -1,-0.2 0.516 74.5 7.6 -90.8 -8.5 -24.5 6.3 8.2 92 95 A S S S- 0 0 38 1,-0.1 3,-0.3 0, 0.0 4,-0.2 -0.979 81.0 -96.6-163.3 167.9 -23.1 8.5 5.4 93 96 A L S > S+ 0 0 53 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.891 116.1 61.7 -58.8 -42.5 -20.2 10.7 4.4 94 97 A E T 3 S+ 0 0 149 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.879 112.6 35.3 -54.5 -43.9 -22.1 13.9 5.4 95 98 A E T 3 S+ 0 0 115 -3,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.199 87.1 128.3 -97.4 16.4 -22.4 12.8 9.0 96 99 A F < + 0 0 0 -3,-1.7 3,-0.1 -4,-0.2 233,-0.1 -0.617 14.5 128.5 -76.8 114.0 -18.9 11.1 9.1 97 100 A N + 0 0 88 -2,-0.5 2,-0.4 1,-0.2 -41,-0.2 0.304 54.1 65.3-147.4 5.8 -16.9 12.5 12.1 98 101 A D - 0 0 36 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -1.000 51.4-171.6-139.3 138.2 -15.6 9.5 14.0 99 102 A V - 0 0 0 -2,-0.4 -47,-2.3 -47,-0.3 2,-0.4 -0.995 4.6-165.9-131.3 130.5 -13.1 6.7 13.1 100 103 A Y E -DE 51 87B 0 -13,-2.4 -13,-2.3 -2,-0.4 2,-0.4 -0.980 3.6-161.8-121.3 134.4 -12.5 3.6 15.2 101 104 A L E -DE 50 86B 8 -51,-2.8 -51,-3.3 -2,-0.4 2,-0.4 -0.933 4.8-160.7-117.8 135.6 -9.5 1.3 14.6 102 105 A V E +DE 49 85B 1 -17,-2.6 -18,-2.9 -2,-0.4 -17,-1.4 -0.967 17.0 158.6-123.0 132.7 -9.3 -2.2 16.0 103 106 A T E -D 48 0B 19 -55,-2.4 -55,-3.0 -2,-0.4 -20,-0.1 -0.898 50.8 -70.8-139.9 170.3 -6.2 -4.5 16.5 104 107 A H E -D 47 0B 75 -2,-0.3 2,-0.3 -57,-0.2 -57,-0.3 -0.351 58.8-108.2 -59.4 137.4 -5.2 -7.5 18.5 105 108 A L + 0 0 55 -59,-2.3 -59,-0.1 1,-0.2 -1,-0.1 -0.561 41.8 171.3 -70.5 130.4 -4.9 -6.6 22.2 106 109 A M - 0 0 24 -2,-0.3 51,-0.3 50,-0.1 -1,-0.2 0.793 20.3-160.3-103.9 -52.5 -1.2 -6.6 23.3 107 110 A G + 0 0 70 49,-0.1 2,-0.3 1,-0.1 49,-0.1 0.159 56.8 45.8 99.5 -22.4 -1.7 -5.1 26.8 108 111 A A E -H 155 0C 32 47,-0.6 47,-2.4 3,-0.0 2,-0.3 -0.931 64.0-137.8-144.7 167.7 1.7 -3.7 27.7 109 112 A D E > -H 154 0C 41 -2,-0.3 4,-0.9 45,-0.3 3,-0.5 -0.779 35.8-101.6-122.6 170.8 4.6 -1.7 26.2 110 113 A L H > S+ 0 0 0 43,-1.6 4,-2.3 40,-1.4 5,-0.3 0.786 118.2 64.6 -65.9 -28.2 8.3 -2.2 26.4 111 114 A N H > S+ 0 0 41 39,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.930 100.0 53.2 -59.2 -43.4 8.7 0.5 29.0 112 115 A N H > S+ 0 0 56 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.810 109.4 50.3 -59.5 -32.1 6.6 -1.7 31.4 113 116 A I H < S+ 0 0 41 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.944 112.9 41.8 -73.2 -51.3 9.0 -4.6 30.7 114 117 A V H < S+ 0 0 16 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.846 112.9 56.3 -66.2 -34.2 12.3 -2.7 31.4 115 118 A K H < S+ 0 0 132 -4,-2.4 2,-2.1 -5,-0.3 -1,-0.2 0.940 95.7 67.1 -59.8 -50.2 10.6 -1.0 34.4 116 119 A C S < S- 0 0 99 -4,-1.5 -1,-0.2 -5,-0.2 -4,-0.0 -0.548 125.5 -70.0 -75.8 79.7 9.8 -4.3 35.9 117 120 A Q S S- 0 0 162 -2,-2.1 2,-0.2 89,-0.1 -1,-0.1 0.205 73.7 -53.1 55.4-177.7 13.5 -5.3 36.5 118 121 A K - 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0 0 41 -2,-0.4 -9,-0.1 1,-0.2 -33,-0.0 -0.478 30.8-145.9 -62.1 131.9 18.2 5.4 29.7 209 222 A L S S+ 0 0 37 -11,-0.4 -1,-0.2 1,-0.3 -34,-0.1 0.931 86.5 17.2 -69.3 -49.6 21.3 5.7 27.5 210 223 A F + 0 0 5 -36,-0.3 2,-1.7 -12,-0.1 -1,-0.3 -0.709 68.0 177.4-127.9 81.4 20.9 9.4 26.6 211 224 A P - 0 0 62 0, 0.0 -37,-0.1 0, 0.0 7,-0.0 -0.436 16.9-178.0 -85.2 67.3 18.5 11.1 29.0 212 225 A G - 0 0 1 -2,-1.7 -38,-0.1 1,-0.1 3,-0.1 -0.306 27.7-149.3 -67.1 144.2 18.8 14.7 27.7 213 226 A T S S- 0 0 98 1,-0.1 2,-0.3 -40,-0.1 -1,-0.1 0.582 81.0 -8.6 -85.9 -15.9 16.9 17.5 29.4 214 227 A D S > S- 0 0 75 -41,-0.0 4,-2.3 1,-0.0 5,-0.2 -0.927 89.8 -77.8-163.2-177.5 16.5 19.4 26.0 215 228 A H H > S+ 0 0 94 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.859 126.9 46.4 -64.8 -35.4 17.8 19.3 22.5 216 229 A I H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.950 114.2 46.4 -71.0 -49.4 21.2 20.8 23.3 217 230 A D H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.886 110.0 56.9 -58.7 -38.7 21.8 18.5 26.3 218 231 A Q H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.935 108.3 45.1 -59.8 -48.7 20.7 15.6 24.2 219 232 A L H X S+ 0 0 6 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.923 111.4 53.6 -62.1 -43.4 23.3 16.2 21.6 220 233 A K H X S+ 0 0 102 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.905 108.9 49.0 -57.3 -43.4 26.0 16.8 24.3 221 234 A L H X S+ 0 0 46 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.895 112.3 48.6 -64.9 -38.9 25.1 13.4 25.9 222 235 A I H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-1.0 0.941 110.4 49.2 -67.1 -48.4 25.3 11.6 22.5 223 236 A L H 3X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.817 102.4 63.6 -63.8 -28.7 28.7 13.1 21.5 224 237 A R H 3< S+ 0 0 141 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.825 113.0 34.1 -66.9 -28.4 30.2 12.2 24.9 225 238 A L H << S+ 0 0 11 -3,-1.0 30,-2.7 -4,-0.8 -2,-0.2 0.897 130.7 30.0 -89.1 -47.3 29.7 8.5 24.1 226 239 A V H < S- 0 0 16 -4,-2.5 -3,-0.2 28,-0.2 28,-0.2 0.606 110.1-117.2 -93.5 -9.8 30.3 8.4 20.4 227 240 A G < - 0 0 2 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.1 -0.011 37.2 -64.2 90.6 158.1 32.7 11.3 20.1 228 241 A T S S- 0 0 27 24,-2.0 26,-0.1 1,-0.1 50,-0.1 -0.447 75.0 -75.3 -73.8 155.4 32.4 14.6 18.3 229 242 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.176 45.4-135.4 -57.1 140.8 32.1 14.3 14.5 230 243 A G > - 0 0 48 -3,-0.1 4,-2.4 1,-0.0 3,-0.3 -0.271 36.2 -86.9 -84.3 178.2 35.2 13.6 12.4 231 244 A A H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 -1,-0.0 0.877 123.9 55.7 -56.2 -46.0 36.2 15.3 9.2 232 245 A E H 4 S+ 0 0 114 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.897 113.8 40.8 -58.3 -41.6 34.2 13.1 6.8 233 246 A L H >4 S+ 0 0 33 -3,-0.3 3,-1.5 1,-0.2 4,-0.3 0.884 108.9 58.1 -76.2 -38.9 30.9 13.8 8.8 234 247 A L H >< S+ 0 0 34 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.861 98.9 62.2 -57.1 -36.3 31.6 17.6 9.3 235 248 A K T 3< S+ 0 0 181 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.714 97.3 58.0 -61.2 -24.5 31.8 18.0 5.6 236 249 A K T < S+ 0 0 76 -3,-1.5 2,-0.7 -4,-0.3 -1,-0.3 0.441 83.7 97.2 -86.4 -2.3 28.2 16.8 5.2 237 250 A I < + 0 0 32 -3,-1.6 6,-0.1 -4,-0.3 -1,-0.0 -0.799 42.9 176.0 -94.3 110.3 26.8 19.6 7.5 238 251 A S + 0 0 105 -2,-0.7 2,-0.3 4,-0.0 -1,-0.2 0.858 53.1 97.2 -78.2 -36.1 25.5 22.6 5.5 239 252 A S > - 0 0 43 1,-0.2 4,-2.3 -57,-0.1 5,-0.1 -0.372 57.4-161.6 -61.5 119.1 24.1 24.5 8.5 240 253 A E H > S+ 0 0 109 -2,-0.3 4,-3.8 2,-0.2 5,-0.2 0.935 93.2 48.4 -67.0 -46.2 26.6 27.1 9.7 241 254 A S H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 111.1 50.9 -61.9 -41.7 25.0 27.4 13.1 242 255 A A H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 115.4 43.4 -61.5 -41.8 25.0 23.6 13.5 243 256 A R H X S+ 0 0 46 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.936 112.2 51.5 -70.0 -45.1 28.7 23.6 12.6 244 257 A N H X S+ 0 0 93 -4,-3.8 4,-0.7 1,-0.2 -2,-0.2 0.881 115.3 44.7 -59.0 -36.1 29.6 26.6 14.8 245 258 A Y H >< S+ 0 0 72 -4,-2.4 3,-0.7 -5,-0.2 4,-0.4 0.982 117.2 41.3 -71.4 -57.6 27.9 24.8 17.6 246 259 A I H >< S+ 0 0 7 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.915 120.0 44.1 -54.6 -50.7 29.3 21.3 17.1 247 260 A Q H 3< S+ 0 0 109 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.595 107.0 60.0 -73.6 -13.9 32.8 22.6 16.3 248 261 A S T << S+ 0 0 89 -4,-0.7 -1,-0.2 -3,-0.7 2,-0.2 0.412 88.7 95.9 -92.4 0.5 32.8 25.1 19.2 249 262 A L S < S- 0 0 44 -3,-1.1 2,-0.1 -4,-0.4 3,-0.1 -0.589 95.6 -92.3 -84.0 152.8 32.3 22.2 21.6 250 263 A T - 0 0 123 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.482 52.7-107.8 -61.5 133.4 35.3 20.7 23.3 251 264 A Q - 0 0 168 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.366 40.5-165.8 -65.1 141.7 36.4 17.8 21.1 252 265 A M - 0 0 43 -3,-0.1 -24,-2.0 -2,-0.1 3,-0.1 -0.997 13.4-128.5-136.6 138.3 35.7 14.3 22.5 253 266 A P - 0 0 109 0, 0.0 2,-0.4 0, 0.0 -26,-0.3 -0.309 35.1 -96.1 -77.4 165.2 36.9 10.9 21.6 254 267 A K - 0 0 102 -28,-0.2 -28,-0.2 -27,-0.1 -29,-0.1 -0.654 45.5-124.8 -76.1 131.5 34.7 7.9 20.9 255 268 A M - 0 0 61 -30,-2.7 2,-0.9 -2,-0.4 3,-0.1 -0.395 24.8-100.6 -75.0 158.9 34.4 5.8 24.1 256 269 A N >> - 0 0 117 1,-0.2 4,-2.1 -2,-0.1 3,-1.2 -0.731 30.1-158.6 -79.8 108.1 35.3 2.1 24.2 257 270 A F H 3> S+ 0 0 1 -2,-0.9 4,-2.7 1,-0.3 -1,-0.2 0.850 89.6 63.3 -57.2 -35.8 31.9 0.4 24.0 258 271 A A H 34 S+ 0 0 66 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.819 109.8 41.0 -59.9 -31.7 33.3 -2.8 25.5 259 272 A N H X4 S+ 0 0 101 -3,-1.2 3,-1.3 2,-0.1 -2,-0.2 0.916 114.2 49.7 -79.2 -49.0 34.1 -0.7 28.7 260 273 A V H 3< S+ 0 0 65 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.856 123.9 31.0 -59.1 -40.8 30.8 1.3 28.8 261 274 A F T >< S+ 0 0 7 -4,-2.7 3,-2.3 -5,-0.2 -1,-0.3 0.006 87.0 160.2-106.7 27.0 28.6 -1.8 28.4 262 275 A I T < + 0 0 135 -3,-1.3 -3,-0.1 1,-0.3 3,-0.1 -0.171 62.8 35.7 -53.0 137.8 31.0 -4.1 30.2 263 276 A G T 3 S+ 0 0 80 1,-0.4 -1,-0.3 -5,-0.2 -4,-0.1 -0.075 94.0 110.5 104.1 -30.1 29.2 -7.3 31.4 264 277 A A S < S- 0 0 26 -3,-2.3 -1,-0.4 1,-0.2 -3,-0.0 -0.292 88.7 -79.5 -72.7 160.7 26.9 -7.4 28.4 265 278 A N >> - 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