==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 11-JUL-12 4G1W . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,A.SHAO . 331 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 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 . 45 13.6 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 . 2 0.6 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 . 21 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 30.8 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 4 1 1 0 0 1 0 0 3 0 0 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 . 0 1 1 1 1 1 1 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 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 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 8 A N 0 0 176 0, 0.0 16,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.2 26.5 -4.8 -7.8 2 9 A N + 0 0 107 85,-0.1 15,-1.8 14,-0.1 2,-0.3 0.431 360.0 70.0 -79.1 -4.5 24.1 -1.9 -7.7 3 10 A F E -A 16 0A 34 13,-0.2 2,-0.3 14,-0.1 13,-0.2 -0.745 55.4-176.9-115.8 158.6 21.5 -4.3 -9.2 4 11 A Y E -A 15 0A 70 11,-1.6 11,-2.3 -2,-0.3 2,-0.3 -0.969 20.3-130.1-147.7 153.6 19.5 -7.3 -8.2 5 12 A S E -A 14 0A 65 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.785 18.1-178.2-107.2 143.1 17.1 -9.6 -10.1 6 13 A V E -A 13 0A 42 7,-1.6 7,-2.9 -2,-0.3 2,-0.5 -0.994 26.4-127.4-136.3 136.6 13.6 -10.7 -9.3 7 14 A E E -A 12 0A 115 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.733 22.3-175.1 -86.9 124.4 11.5 -13.1 -11.4 8 15 A I E > -A 11 0A 16 3,-4.1 3,-2.3 -2,-0.5 2,-0.2 -0.915 63.9 -59.0-119.0 101.8 8.1 -11.8 -12.2 9 16 A G T 3 S- 0 0 74 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.475 119.4 -21.3 56.9-125.4 6.1 -14.5 -14.0 10 17 A D T 3 S+ 0 0 181 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.384 125.0 94.4 -90.4 2.8 8.3 -15.2 -17.2 11 18 A S E < -A 8 0A 19 -3,-2.3 -3,-4.1 2,-0.0 2,-0.6 -0.803 65.0-147.7-104.9 135.8 9.9 -11.8 -16.9 12 19 A T E -A 7 0A 54 -2,-0.4 2,-0.7 -5,-0.2 -5,-0.2 -0.927 11.6-160.4-101.8 116.8 13.2 -11.1 -15.1 13 20 A F E -A 6 0A 0 -7,-2.9 -7,-1.6 -2,-0.6 2,-0.7 -0.874 6.8-173.6-100.8 106.4 13.3 -7.6 -13.5 14 21 A T E +A 5 0A 33 -2,-0.7 -9,-0.2 -9,-0.2 2,-0.2 -0.879 24.0 160.7-101.9 108.5 16.9 -6.4 -12.8 15 22 A V E -A 4 0A 0 -11,-2.3 -11,-1.6 -2,-0.7 2,-0.1 -0.687 44.8 -79.4-127.7 171.5 16.6 -3.2 -10.9 16 23 A L E > -A 3 0A 38 -2,-0.2 3,-2.1 -13,-0.2 -13,-0.2 -0.445 46.1-115.4 -71.7 148.3 18.6 -0.8 -8.6 17 24 A K T 3 S+ 0 0 122 -15,-1.8 -1,-0.1 1,-0.3 22,-0.1 0.752 109.2 74.0 -60.1 -25.3 18.7 -1.9 -5.0 18 25 A R T 3 S+ 0 0 58 -16,-0.2 21,-3.5 20,-0.1 2,-0.6 0.762 82.6 80.5 -54.3 -29.5 16.7 1.1 -3.8 19 26 A Y E < +B 38 0B 0 -3,-2.1 2,-0.3 19,-0.2 19,-0.2 -0.746 67.4 177.5 -89.7 116.4 13.5 -0.6 -5.4 20 27 A Q E +B 37 0B 89 17,-2.9 17,-3.0 -2,-0.6 -2,-0.0 -0.819 45.4 20.4-125.1 154.4 12.2 -3.2 -3.0 21 28 A N E S- 0 0 139 -2,-0.3 2,-0.3 15,-0.2 -1,-0.2 0.909 70.1-166.2 59.4 49.8 9.2 -5.6 -2.8 22 29 A L E + 0 0 20 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.532 14.5 167.7 -66.7 126.9 8.3 -5.8 -6.5 23 30 A K E -B 35 0B 130 12,-1.8 12,-2.9 -2,-0.3 2,-0.1 -0.989 38.6-105.3-137.0 147.7 4.9 -7.3 -7.3 24 31 A P E +B 34 0B 83 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.421 32.5 175.4 -74.7 143.8 3.1 -7.2 -10.6 25 32 A I E - 0 0 90 8,-2.7 2,-0.3 1,-0.5 9,-0.1 0.464 59.9 -46.9-123.4 -10.0 0.1 -4.9 -10.9 26 33 A G E -B 33 0B 39 7,-0.9 7,-2.1 2,-0.0 -1,-0.5 -0.907 49.2-122.8 165.0 176.8 -0.9 -5.2 -14.6 27 34 A S E -B 32 0B 101 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.979 13.0-176.8-142.3 157.0 0.3 -5.3 -18.1 28 35 A G E > -B 31 0B 53 3,-1.4 3,-1.2 -2,-0.3 -2,-0.0 -0.704 53.7 -89.9-129.3-173.8 -0.2 -3.6 -21.5 29 36 A A T 3 S+ 0 0 92 1,-0.3 3,-0.1 -2,-0.2 22,-0.0 0.582 123.9 66.8 -74.4 -9.3 1.3 -4.4 -24.9 30 37 A Q T 3 S- 0 0 61 1,-0.3 21,-0.6 20,-0.1 -1,-0.3 0.196 116.6 -73.1-101.6 16.9 4.0 -2.0 -23.8 31 38 A G E < -BC 28 50B 8 -3,-1.2 -3,-1.4 19,-0.2 -1,-0.3 -0.412 55.9 -57.1 120.3 169.6 5.4 -4.1 -21.0 32 39 A I E -BC 27 49B 56 17,-0.6 17,-2.0 -5,-0.2 2,-0.5 -0.601 43.5-148.2 -87.3 144.8 4.9 -5.5 -17.5 33 40 A V E -BC 26 48B 34 -7,-2.1 -8,-2.7 -2,-0.2 -7,-0.9 -0.966 11.9-170.2-119.1 122.0 4.4 -3.1 -14.5 34 41 A C E -BC 24 47B 0 13,-3.0 13,-2.9 -2,-0.5 2,-0.3 -0.879 18.7-135.7-108.2 145.0 5.5 -3.8 -11.0 35 42 A A E +BC 23 46B 8 -12,-2.9 -12,-1.8 -2,-0.4 2,-0.3 -0.733 36.8 168.2 -86.4 146.8 4.7 -1.8 -7.8 36 43 A A E - C 0 45B 3 9,-2.2 9,-3.4 -2,-0.3 2,-0.6 -0.982 37.5-114.7-155.1 157.1 7.8 -1.3 -5.6 37 44 A Y E -BC 20 44B 85 -17,-3.0 -17,-2.9 -2,-0.3 2,-0.9 -0.899 23.4-144.8 -97.5 123.1 9.0 0.7 -2.6 38 45 A D E >> -BC 19 43B 0 5,-3.1 4,-1.6 -2,-0.6 5,-1.3 -0.820 10.6-166.5 -85.2 107.6 11.7 3.2 -3.4 39 46 A A T 45S+ 0 0 38 -21,-3.5 -1,-0.2 -2,-0.9 -20,-0.1 0.870 85.8 51.9 -60.1 -38.0 13.9 3.1 -0.3 40 47 A I T 45S+ 0 0 115 1,-0.2 -1,-0.2 -22,-0.1 -21,-0.0 0.930 119.9 31.9 -71.4 -45.6 15.7 6.3 -1.3 41 48 A L T 45S- 0 0 79 2,-0.2 -1,-0.2 -23,-0.1 -2,-0.2 0.627 102.4-133.6 -82.5 -15.0 12.6 8.4 -1.9 42 49 A E T <5 + 0 0 147 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.973 68.5 93.5 57.4 58.7 10.7 6.5 0.9 43 50 A R E S- 0 0 154 -2,-0.6 3,-0.8 1,-0.1 4,-0.3 0.867 71.6-172.8 37.8 73.0 11.3 -5.2 -27.0 53 60 A P T 3 S+ 0 0 7 0, 0.0 10,-0.3 0, 0.0 3,-0.2 0.893 80.2 23.1 -69.3 -38.3 12.2 -1.5 -27.4 54 61 A F T 3 S+ 0 0 23 41,-0.3 263,-0.1 1,-0.2 -2,-0.1 0.016 82.3 117.6-116.0 30.4 14.4 -1.9 -30.5 55 62 A Q S < S- 0 0 132 -3,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.882 94.4 -14.2 -56.0 -39.6 12.9 -5.1 -31.8 56 63 A N S > S- 0 0 54 -4,-0.3 4,-2.3 -3,-0.2 -1,-0.1 -0.914 77.7 -91.9-154.5 176.9 11.9 -3.0 -34.8 57 64 A Q H > S+ 0 0 88 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.835 120.3 54.8 -70.2 -33.9 11.5 0.7 -36.0 58 65 A T H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.953 113.6 41.3 -61.2 -52.5 7.8 0.9 -34.9 59 66 A H H > S+ 0 0 50 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.890 115.4 52.0 -56.9 -47.0 8.7 -0.2 -31.3 60 67 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.925 108.6 48.3 -62.8 -47.6 11.8 2.0 -31.3 61 68 A K H X S+ 0 0 93 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.865 113.6 49.9 -60.6 -37.4 10.0 5.1 -32.3 62 69 A R H X S+ 0 0 142 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.933 110.8 46.8 -66.4 -51.2 7.4 4.4 -29.6 63 70 A A H X S+ 0 0 5 -4,-2.9 4,-2.4 -10,-0.3 -2,-0.2 0.926 114.3 49.5 -56.7 -43.5 9.8 3.9 -26.8 64 71 A Y H X S+ 0 0 66 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.929 112.0 45.8 -64.4 -47.9 11.7 7.0 -27.9 65 72 A R H X S+ 0 0 115 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.912 112.2 52.0 -61.4 -45.3 8.7 9.3 -28.0 66 73 A E H X S+ 0 0 35 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.942 111.7 47.5 -56.5 -48.0 7.4 8.0 -24.7 67 74 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.907 113.4 45.1 -60.2 -47.8 10.7 8.7 -23.0 68 75 A V H >X S+ 0 0 42 -4,-2.3 4,-0.7 2,-0.2 3,-0.5 0.924 113.8 48.7 -68.1 -46.5 11.2 12.2 -24.4 69 76 A L H >X S+ 0 0 34 -4,-2.4 4,-2.2 1,-0.2 3,-1.1 0.892 108.3 55.4 -58.1 -42.0 7.6 13.3 -23.6 70 77 A M H 3< S+ 0 0 13 -4,-2.2 11,-0.5 -5,-0.3 -1,-0.2 0.774 106.1 52.1 -62.7 -27.2 7.9 11.9 -20.1 71 78 A K H << S+ 0 0 96 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.635 115.6 40.5 -80.5 -16.9 10.9 14.1 -19.6 72 79 A C H << S+ 0 0 102 -3,-1.1 2,-0.4 -4,-0.7 -2,-0.2 0.741 97.4 78.1-106.6 -29.6 9.1 17.2 -20.7 73 80 A V < + 0 0 13 -4,-2.2 8,-0.3 234,-0.1 2,-0.3 -0.724 51.1 169.0 -86.4 129.6 5.6 16.9 -19.1 74 81 A N + 0 0 140 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.863 16.7 128.3-146.3 107.2 5.3 17.8 -15.4 75 82 A H > - 0 0 17 3,-0.4 3,-1.9 -2,-0.3 227,-0.1 -0.962 59.0-122.4-163.8 137.7 1.9 18.2 -13.7 76 83 A K T 3 S+ 0 0 106 -2,-0.3 4,-0.1 1,-0.3 82,-0.1 0.650 112.1 55.8 -57.7 -20.1 0.2 16.9 -10.5 77 84 A N T 3 S+ 0 0 5 225,-0.1 83,-2.1 82,-0.1 2,-0.3 0.128 101.6 66.0-103.5 20.5 -2.7 15.5 -12.6 78 85 A I B < S-f 160 0C 5 -3,-1.9 -3,-0.4 81,-0.3 2,-0.2 -0.996 96.5-101.5-139.3 137.8 -0.4 13.5 -14.9 79 86 A I - 0 0 7 81,-2.5 2,-0.2 -2,-0.3 -2,-0.1 -0.408 48.1-142.7 -63.0 122.8 1.7 10.4 -13.9 80 87 A G - 0 0 16 -2,-0.2 22,-1.6 -4,-0.1 2,-0.4 -0.500 8.8-112.5 -91.9 159.9 5.2 11.7 -13.5 81 88 A L E +E 101 0B 46 -11,-0.5 20,-0.2 -8,-0.3 3,-0.1 -0.733 30.5 173.4 -85.1 128.4 8.6 10.3 -14.3 82 89 A L E - 0 0 53 18,-3.4 2,-0.3 -2,-0.4 19,-0.2 0.754 63.7 -16.0-102.0 -33.8 10.8 9.5 -11.3 83 90 A N E -E 100 0B 47 17,-1.8 17,-2.6 2,-0.0 -1,-0.4 -0.987 45.7-153.0-164.7 157.3 13.7 7.7 -12.9 84 91 A V E +E 99 0B 17 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.987 30.3 153.4-136.0 134.7 15.0 6.0 -16.0 85 92 A F E -E 98 0B 14 13,-1.8 13,-2.8 -2,-0.3 240,-0.1 -0.993 29.1-153.0-155.3 161.0 17.7 3.3 -15.9 86 93 A T - 0 0 12 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.988 16.0-145.0-130.7 140.3 19.2 0.3 -17.6 87 94 A P S S+ 0 0 17 0, 0.0 2,-0.2 0, 0.0 -85,-0.1 0.626 74.0 99.3 -77.9 -9.7 21.2 -2.5 -15.9 88 95 A Q - 0 0 39 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.526 67.1-145.8 -79.2 146.7 23.5 -2.9 -19.0 89 96 A K S S+ 0 0 130 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.592 70.4 18.7 -93.4 -11.4 26.9 -1.2 -18.8 90 97 A S S > S- 0 0 42 1,-0.1 4,-1.8 0, 0.0 -2,-0.0 -0.904 79.3-100.6-148.5 175.6 27.4 -0.2 -22.4 91 98 A L T 4 S+ 0 0 45 -2,-0.3 -1,-0.1 2,-0.2 230,-0.1 0.813 117.6 56.1 -68.6 -33.9 25.7 0.4 -25.8 92 99 A E T 4 S+ 0 0 173 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.875 115.5 36.0 -68.7 -39.4 26.8 -2.9 -27.1 93 100 A E T 4 S+ 0 0 107 2,-0.0 -2,-0.2 0, 0.0 -1,-0.2 0.771 87.2 129.2 -80.8 -30.9 25.2 -4.9 -24.3 94 101 A F < + 0 0 0 -4,-1.8 3,-0.1 1,-0.2 227,-0.1 0.044 15.9 137.6 -33.4 113.5 22.2 -2.5 -24.0 95 102 A Q + 0 0 98 1,-0.3 2,-0.3 -42,-0.0 -41,-0.3 0.635 52.1 48.7-125.3 -49.2 18.9 -4.5 -24.0 96 103 A D - 0 0 42 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.784 50.4-163.4-115.7 143.3 16.4 -3.3 -21.4 97 104 A V - 0 0 0 -2,-0.3 -47,-2.6 -47,-0.3 2,-0.4 -0.984 10.2-161.0-119.2 131.7 15.0 0.1 -20.4 98 105 A Y E -DE 49 85B 0 -13,-2.8 -13,-1.8 -2,-0.4 2,-0.5 -0.944 1.5-159.7-112.9 135.4 13.2 0.6 -17.0 99 106 A I E -DE 48 84B 0 -51,-3.1 -51,-2.5 -2,-0.4 2,-0.6 -0.950 3.6-158.9-117.9 118.5 10.9 3.5 -16.3 100 107 A V E +DE 47 83B 0 -17,-2.6 -18,-3.4 -2,-0.5 -17,-1.8 -0.859 22.7 168.5-100.7 121.7 10.1 4.4 -12.7 101 108 A M E -DE 46 81B 19 -55,-3.3 -55,-3.2 -2,-0.6 -20,-0.2 -0.807 40.7 -78.0-129.1 166.6 6.9 6.4 -12.3 102 109 A E E -D 45 0B 40 -22,-1.6 2,-0.4 -2,-0.3 -57,-0.2 -0.347 44.8-139.3 -61.4 144.8 4.6 7.6 -9.5 103 110 A L - 0 0 43 -59,-0.8 -59,-0.1 -67,-0.1 2,-0.1 -0.919 18.3-173.2-109.7 133.7 2.2 5.0 -8.2 104 111 A M - 0 0 19 -2,-0.4 49,-0.2 49,-0.1 3,-0.1 0.002 32.0-109.1-101.1-148.8 -1.4 5.7 -7.3 105 112 A D S S- 0 0 87 47,-1.8 2,-0.3 1,-0.5 48,-0.2 0.699 80.5 -14.3-119.6 -29.3 -4.0 3.3 -5.6 106 113 A A E -G 152 0C 24 46,-1.8 46,-2.9 4,-0.0 -1,-0.5 -0.963 61.1-111.4-161.7 165.1 -6.5 2.2 -8.2 107 114 A N E > -G 151 0C 45 -2,-0.3 4,-0.6 44,-0.3 3,-0.4 -0.399 43.7-100.1 -91.2-178.7 -7.7 3.1 -11.7 108 115 A L H > S+ 0 0 0 39,-1.8 4,-2.3 42,-1.3 5,-0.3 0.720 97.6 96.8 -75.6 -20.6 -11.2 4.5 -12.2 109 116 A C H 4 S+ 0 0 58 38,-0.7 4,-0.4 1,-0.2 -1,-0.2 0.810 98.2 25.9 -36.4 -54.4 -12.9 1.2 -13.3 110 117 A Q H >> S+ 0 0 100 -3,-0.4 3,-2.0 1,-0.2 4,-1.1 0.961 115.6 61.1 -76.9 -55.9 -14.2 0.5 -9.8 111 118 A V H 3< S+ 0 0 4 -4,-0.6 3,-0.4 1,-0.3 -2,-0.2 0.781 99.6 57.4 -42.2 -39.3 -14.5 4.0 -8.4 112 119 A I T 3< S+ 0 0 4 -4,-2.3 -1,-0.3 1,-0.2 4,-0.2 0.748 104.1 49.7 -75.3 -22.3 -17.0 5.1 -11.0 113 120 A Q T <4 S+ 0 0 123 -3,-2.0 2,-1.2 -4,-0.4 -1,-0.2 0.646 91.1 83.8 -90.2 -15.6 -19.6 2.4 -10.3 114 121 A M S < S- 0 0 93 -4,-1.1 -1,-0.1 -3,-0.4 220,-0.1 -0.777 99.1-117.3 -82.3 98.3 -19.5 3.2 -6.6 115 122 A E - 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0 0 96 1,-0.1 4,-0.5 -2,-0.0 -1,-0.1 0.033 36.5-103.3 -68.8-179.4 -16.0 10.8 -46.5 233 254 A P H > S+ 0 0 98 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.985 116.1 38.6 -68.6 -61.1 -17.8 9.3 -49.6 234 255 A T H > S+ 0 0 113 2,-0.2 4,-1.3 1,-0.2 3,-0.1 0.905 121.1 39.1 -53.2 -59.3 -18.1 5.8 -48.3 235 256 A V H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.858 111.3 58.5 -68.0 -38.8 -18.9 6.3 -44.5 236 257 A R H X S+ 0 0 77 -4,-0.5 4,-3.2 2,-0.2 5,-0.3 0.899 101.2 58.3 -52.5 -45.6 -21.2 9.3 -45.2 237 258 A T H X S+ 0 0 77 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.954 112.6 38.4 -48.2 -57.3 -23.2 6.9 -47.4 238 259 A Y H >X S+ 0 0 79 -4,-1.3 4,-1.3 2,-0.2 3,-1.3 0.982 117.6 47.3 -58.6 -64.9 -23.8 4.6 -44.4 239 260 A V H 3< S+ 0 0 2 -4,-2.8 3,-0.5 1,-0.3 -1,-0.2 0.842 116.0 46.2 -44.1 -46.5 -24.3 7.2 -41.7 240 261 A E H 3< S+ 0 0 90 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.709 113.0 50.0 -74.2 -23.7 -26.7 9.2 -44.0 241 262 A N H << S+ 0 0 122 -4,-1.4 -1,-0.2 -3,-1.3 -2,-0.2 0.470 86.4 106.8 -94.1 -7.4 -28.6 5.9 -44.9 242 263 A R S < S- 0 0 82 -4,-1.3 3,-0.1 -3,-0.5 2,-0.0 -0.454 89.5 -90.0 -60.4 144.1 -28.9 4.9 -41.2 243 264 A P - 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0 0 33 -2,-1.5 6,-0.2 -3,-0.2 5,-0.1 -0.975 50.4-149.8-126.4 114.8 -22.2 16.5 -28.7 277 304 A I S S+ 0 0 12 -2,-0.5 2,-0.8 1,-0.1 -103,-0.2 0.863 83.5 72.8 -50.5 -46.7 -21.4 14.6 -31.9 278 305 A D S >> S- 0 0 10 1,-0.2 3,-2.4 -105,-0.1 4,-0.7 -0.646 70.5-157.8 -78.8 106.7 -20.4 17.7 -33.9 279 306 A A G >4 S+ 0 0 21 -2,-0.8 3,-0.7 1,-0.3 -1,-0.2 0.795 88.7 66.7 -56.1 -31.3 -17.0 18.8 -32.6 280 307 A S G 34 S+ 0 0 81 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.626 110.7 36.0 -69.7 -9.3 -17.5 22.3 -33.9 281 308 A K G <4 S+ 0 0 111 -3,-2.4 -1,-0.2 -5,-0.1 2,-0.2 0.405 92.5 108.9-117.4 -3.0 -20.4 22.7 -31.3 282 309 A R S << S- 0 0 11 -3,-0.7 -8,-0.2 -4,-0.7 -98,-0.1 -0.548 78.6-102.3 -76.7 138.3 -18.9 20.7 -28.4 283 310 A I - 0 0 9 -10,-3.0 2,-0.1 -2,-0.2 -96,-0.1 -0.175 38.4-123.6 -55.6 152.3 -17.7 22.7 -25.3 284 311 A S > - 0 0 46 1,-0.1 4,-1.7 -97,-0.0 5,-0.1 -0.429 20.9-105.9 -91.4 172.3 -13.9 23.2 -25.0 285 312 A V H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.907 119.3 47.1 -62.6 -46.6 -11.6 22.3 -22.1 286 313 A D H > S+ 0 0 73 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.936 112.7 48.2 -61.3 -46.5 -11.2 25.9 -20.9 287 314 A E H > S+ 0 0 110 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.835 111.8 51.4 -67.5 -30.6 -14.9 26.6 -21.1 288 315 A A H < S+ 0 0 0 -4,-1.7 3,-0.3 2,-0.2 6,-0.3 0.856 105.2 53.9 -73.9 -35.5 -15.5 23.3 -19.2 289 316 A L H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.735 113.2 46.9 -65.3 -20.2 -13.1 24.3 -16.4 290 317 A Q H < S+ 0 0 123 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.575 84.2 116.7 -97.7 -14.3 -15.1 27.5 -16.1 291 318 A H S >X S- 0 0 10 -4,-0.7 4,-3.4 -3,-0.3 3,-1.0 -0.249 79.2-114.8 -52.3 140.5 -18.5 25.8 -16.1 292 319 A P H 3> S+ 0 0 78 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.853 114.0 54.6 -48.3 -43.7 -20.3 26.4 -12.8 293 320 A Y H 34 S+ 0 0 4 1,-0.2 -26,-0.1 -27,-0.1 -4,-0.1 0.788 121.2 28.6 -61.5 -32.6 -20.2 22.6 -11.8 294 321 A I H X4 S+ 0 0 0 -3,-1.0 3,-1.8 -6,-0.3 4,-0.2 0.835 105.4 72.8 -96.0 -40.5 -16.4 22.4 -12.2 295 322 A N H >< S+ 0 0 66 -4,-3.4 3,-1.8 1,-0.3 -2,-0.1 0.637 72.9 85.5 -58.8 -19.3 -15.2 26.0 -11.5 296 323 A V T 3< S+ 0 0 70 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.733 95.7 43.6 -51.4 -23.8 -15.9 25.7 -7.7 297 324 A W T < S+ 0 0 9 -3,-1.8 -1,-0.3 -175,-0.1 -2,-0.2 0.485 84.6 146.0-102.9 -4.3 -12.4 24.1 -7.3 298 325 A Y < + 0 0 71 -3,-1.8 -8,-0.0 -4,-0.2 -3,-0.0 0.192 15.0 164.0 -45.1 150.4 -10.4 26.5 -9.6 299 326 A D >> - 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