==== 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 TRANSFERASE 03-JUN-09 3HP5 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.-S.SHIEH,J.M.WILLIAMS,R.A.STEGEMAN,R.G.KURUMBAIL . 330 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 61.5 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 . 37 11.2 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 28.8 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+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 2 0 0 0 1 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 0 2 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 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 6 A P 0 0 144 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.0 56.4 41.7 11.4 2 7 A T - 0 0 94 2,-0.0 15,-2.8 0, 0.0 2,-0.3 -0.835 360.0-150.8 -99.5 137.1 58.3 40.5 14.4 3 8 A F E -A 16 0A 61 -2,-0.4 2,-0.3 13,-0.3 11,-0.1 -0.719 8.5-159.4-107.5 153.3 56.7 38.0 16.7 4 9 A Y E -A 15 0A 65 11,-2.3 11,-1.4 -2,-0.3 2,-0.4 -0.953 12.8-139.7-128.5 158.6 56.9 37.2 20.4 5 10 A R E +A 14 0A 161 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.885 26.6 153.2-121.0 140.0 55.9 34.0 22.3 6 11 A Q E -A 13 0A 57 7,-1.6 7,-3.0 -2,-0.4 2,-0.5 -0.980 36.0-119.3-156.3 164.5 54.2 33.3 25.6 7 12 A E E +A 12 0A 129 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.945 24.9 177.2-109.9 128.0 52.1 30.8 27.4 8 13 A L E > S-A 11 0A 31 3,-2.9 3,-1.1 -2,-0.5 -2,-0.0 -0.926 75.1 -22.1-131.4 107.6 48.6 31.7 28.7 9 14 A N T 3 S- 0 0 134 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.964 124.6 -51.2 56.8 57.5 46.6 28.9 30.4 10 15 A K T 3 S+ 0 0 163 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.118 119.1 109.2 71.9 -23.5 48.6 26.0 28.8 11 16 A T E < -A 8 0A 36 -3,-1.1 -3,-2.9 -2,-0.4 2,-0.5 -0.589 65.4-134.8 -84.7 147.5 48.0 27.6 25.3 12 17 A I E -A 7 0A 49 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.900 15.1-158.5-107.1 126.0 50.9 29.1 23.4 13 18 A W E +A 6 0A 4 -7,-3.0 -7,-1.6 -2,-0.5 2,-0.5 -0.914 12.9 178.4-110.7 120.7 50.5 32.5 21.8 14 19 A E E +A 5 0A 56 -2,-0.5 -9,-0.2 -9,-0.2 -2,-0.0 -0.913 24.3 149.4-120.2 102.8 52.7 33.7 18.9 15 20 A V E -A 4 0A 2 -11,-1.4 -11,-2.3 -2,-0.5 -2,-0.0 -0.890 48.8 -84.6-131.3 154.2 51.6 37.1 17.7 16 21 A P E > -A 3 0A 6 0, 0.0 3,-1.8 0, 0.0 -13,-0.3 -0.189 41.1-109.9 -55.3 153.3 53.2 40.2 16.2 17 22 A E T 3 S+ 0 0 120 -15,-2.8 18,-0.1 1,-0.3 -14,-0.1 0.673 111.4 76.1 -57.8 -21.9 54.8 42.8 18.4 18 23 A R T 3 S+ 0 0 51 -16,-0.2 17,-2.8 16,-0.1 2,-0.6 0.794 85.1 71.4 -62.1 -28.4 52.0 45.2 17.5 19 24 A Y E < +B 34 0B 1 -3,-1.8 2,-0.3 15,-0.2 15,-0.2 -0.831 69.3 172.1 -97.8 117.7 49.7 43.3 19.8 20 25 A Q E +B 33 0B 70 13,-2.6 13,-3.6 -2,-0.6 -2,-0.0 -0.823 46.5 33.5-127.0 157.9 50.5 43.9 23.5 21 26 A N E - 0 0 119 -2,-0.3 2,-0.2 11,-0.2 -1,-0.2 0.926 68.9-160.3 64.9 48.9 49.0 43.0 26.9 22 27 A L E + 0 0 17 -3,-0.2 10,-0.2 10,-0.1 -1,-0.2 -0.435 13.4 179.9 -62.7 127.3 47.5 39.7 26.0 23 28 A S E -B 31 0B 68 8,-2.7 8,-3.8 -2,-0.2 -15,-0.0 -0.987 27.4-118.4-136.9 118.1 44.8 38.8 28.5 24 29 A P E B 30 0B 58 0, 0.0 6,-0.3 0, 0.0 -15,-0.0 -0.272 360.0 360.0 -58.7 141.3 42.7 35.6 28.4 25 30 A V 0 0 121 4,-2.4 4,-0.5 0, 0.0 17,-0.0 -0.929 360.0 360.0-113.8 360.0 38.9 35.9 27.9 26 ! 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 27 36 A G 0 0 58 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 165.7 39.7 28.1 19.6 28 37 A S E - C 0 45B 38 17,-2.1 17,-3.1 -4,-0.0 2,-0.4 -0.814 360.0-147.4-109.1 151.5 41.1 30.2 22.4 29 38 A V E - C 0 44B 47 -4,-0.5 -4,-2.4 -2,-0.3 2,-0.3 -0.958 14.6-179.9-129.3 136.4 40.6 34.0 22.9 30 39 A C E -BC 24 43B 0 13,-2.6 13,-3.2 -2,-0.4 2,-0.4 -0.959 24.3-132.3-127.1 146.7 42.7 36.8 24.3 31 40 A A E +BC 23 42B 21 -8,-3.8 -8,-2.7 -2,-0.3 2,-0.3 -0.806 37.6 172.0 -86.9 142.5 42.1 40.5 24.7 32 41 A A E - C 0 41B 5 9,-2.5 9,-2.4 -2,-0.4 2,-0.5 -0.908 35.3-111.4-141.9 171.4 45.0 42.6 23.5 33 42 A F E -BC 20 40B 71 -13,-3.6 -13,-2.6 -2,-0.3 2,-1.1 -0.952 23.3-144.9-107.9 122.8 46.1 46.2 22.8 34 43 A D E >>> -BC 19 39B 0 5,-2.7 4,-2.9 -2,-0.5 3,-0.8 -0.756 12.0-169.5 -88.6 98.1 46.6 47.1 19.2 35 44 A T T 345S+ 0 0 74 -17,-2.8 -1,-0.2 -2,-1.1 -16,-0.1 0.717 81.7 59.4 -63.1 -23.9 49.6 49.5 19.3 36 45 A K T 345S+ 0 0 157 -18,-0.2 -1,-0.2 1,-0.1 -17,-0.1 0.840 122.3 20.3 -71.8 -37.8 49.1 50.5 15.6 37 46 A T T <45S- 0 0 72 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.1 0.608 97.0-126.8-108.2 -18.5 45.5 51.7 16.0 38 47 A G T <5S+ 0 0 42 -4,-2.9 2,-0.2 1,-0.3 -3,-0.2 0.547 70.3 121.4 80.0 9.8 45.4 52.4 19.7 39 48 A L E < -C 34 0B 89 -5,-0.6 -5,-2.7 -6,-0.0 2,-0.3 -0.684 67.4-111.9-106.0 155.1 42.3 50.2 20.1 40 49 A R E -C 33 0B 188 -2,-0.2 59,-2.1 -7,-0.2 2,-0.3 -0.703 39.6-166.5 -85.9 139.1 41.6 47.1 22.2 41 50 A V E -CD 32 98B 0 -9,-2.4 -9,-2.5 -2,-0.3 2,-0.5 -0.851 23.5-130.7-127.7 155.4 41.1 43.9 20.2 42 51 A A E -CD 31 97B 24 55,-2.5 55,-2.1 -2,-0.3 2,-0.5 -0.953 26.3-163.5-103.3 126.3 39.9 40.3 20.6 43 52 A V E -CD 30 96B 2 -13,-3.2 -13,-2.6 -2,-0.5 2,-0.5 -0.967 1.1-161.2-117.4 123.1 42.4 37.8 19.2 44 53 A K E -CD 29 95B 44 51,-3.1 51,-2.3 -2,-0.5 2,-0.6 -0.889 4.7-157.4-105.3 124.4 41.3 34.1 18.5 45 54 A K E -CD 28 94B 28 -17,-3.1 -17,-2.1 -2,-0.5 2,-0.4 -0.895 20.3-134.7 -94.5 122.4 43.8 31.3 18.1 46 55 A L - 0 0 11 47,-2.5 2,-0.5 -2,-0.6 47,-0.4 -0.673 20.0-134.6 -75.7 127.1 42.3 28.4 16.1 47 56 A S S S- 0 0 56 -2,-0.4 4,-0.1 1,-0.2 45,-0.1 -0.767 76.3 -15.5 -86.8 124.5 43.1 25.2 17.9 48 57 A R S > S- 0 0 159 -2,-0.5 3,-1.9 43,-0.2 4,-0.2 0.908 74.4-176.4 55.0 52.4 44.3 22.3 15.7 49 58 A P T 3 S+ 0 0 0 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.776 79.4 32.3 -57.6 -27.9 43.2 24.0 12.5 50 59 A F T 3 S+ 0 0 18 41,-0.2 -2,-0.1 1,-0.1 6,-0.1 -0.064 76.9 123.2-121.6 32.7 44.2 21.1 10.2 51 60 A Q S < S- 0 0 118 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.1 0.768 86.6 -13.7 -61.9 -30.7 43.6 18.1 12.6 52 61 A S S > S- 0 0 42 -4,-0.2 4,-2.4 -3,-0.2 5,-0.2 -0.948 79.4 -86.0-161.7 175.7 41.2 16.6 10.0 53 62 A I H > S+ 0 0 69 -2,-0.3 4,-2.9 2,-0.2 5,-0.3 0.937 126.8 47.8 -58.4 -48.3 39.2 17.3 6.8 54 63 A I H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 112.9 47.2 -59.7 -49.6 36.3 18.7 8.9 55 64 A H H > S+ 0 0 37 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.852 114.1 49.6 -54.2 -40.9 38.6 20.9 11.0 56 65 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.937 113.4 43.3 -69.7 -49.4 40.4 22.1 7.8 57 66 A K H X S+ 0 0 24 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.859 115.6 51.5 -60.2 -36.1 37.1 22.9 5.9 58 67 A R H X S+ 0 0 124 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.897 108.9 49.5 -71.0 -41.4 35.9 24.5 9.2 59 68 A T H X S+ 0 0 7 -4,-2.5 4,-2.2 -10,-0.4 -2,-0.2 0.947 114.2 45.4 -58.0 -51.2 39.1 26.6 9.5 60 69 A Y H X S+ 0 0 18 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.914 112.6 52.5 -58.8 -45.3 38.7 27.7 5.9 61 70 A R H X S+ 0 0 49 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.910 108.8 47.9 -56.6 -50.7 35.0 28.4 6.4 62 71 A E H X S+ 0 0 41 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.930 114.9 46.6 -60.6 -46.5 35.5 30.6 9.5 63 72 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.888 112.0 49.0 -61.8 -43.5 38.2 32.6 7.7 64 73 A R H X S+ 0 0 32 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.919 113.6 48.5 -63.7 -43.4 36.2 33.1 4.5 65 74 A L H >X S+ 0 0 15 -4,-2.4 4,-1.6 -5,-0.2 3,-0.7 0.960 112.2 46.4 -56.0 -57.7 33.2 34.2 6.5 66 75 A L H 3< S+ 0 0 23 -4,-2.6 11,-0.9 1,-0.3 -1,-0.2 0.816 109.9 54.7 -61.5 -32.1 35.1 36.8 8.6 67 76 A K H 3< S+ 0 0 37 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.847 111.6 45.2 -69.1 -31.0 36.9 38.2 5.6 68 77 A H H << S+ 0 0 34 -4,-1.3 2,-0.8 -3,-0.7 233,-0.2 0.776 89.9 92.2 -83.2 -29.0 33.5 38.8 3.8 69 78 A M < + 0 0 3 -4,-1.6 8,-0.3 6,-0.2 2,-0.3 -0.583 39.4 158.5 -80.8 108.8 31.6 40.4 6.7 70 79 A K + 0 0 168 -2,-0.8 2,-0.3 6,-0.1 -1,-0.1 -0.708 30.1 119.9-130.3 75.4 32.0 44.2 6.7 71 80 A H > - 0 0 18 3,-0.4 3,-1.7 -2,-0.3 57,-0.0 -0.995 67.3-123.1-143.0 142.8 29.1 45.5 8.6 72 81 A E T 3 S+ 0 0 126 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.773 112.6 41.4 -54.1 -37.0 28.8 47.6 11.8 73 82 A N T 3 S+ 0 0 7 83,-0.1 84,-2.1 51,-0.1 2,-0.4 0.070 106.3 74.8-101.8 18.9 26.8 44.9 13.7 74 83 A V B < S-f 157 0C 2 -3,-1.7 -3,-0.4 82,-0.3 2,-0.4 -0.986 86.6-109.5-129.9 142.8 28.7 41.9 12.5 75 84 A I + 0 0 21 82,-2.2 2,-0.2 -2,-0.4 -6,-0.2 -0.573 47.3 166.4 -71.1 123.8 32.2 40.7 13.6 76 85 A G - 0 0 16 -2,-0.4 2,-0.5 -4,-0.1 22,-0.2 -0.681 36.9 -77.6-125.7-174.5 34.7 41.2 10.8 77 86 A L + 0 0 14 -11,-0.9 20,-0.2 -8,-0.3 3,-0.1 -0.796 29.1 172.8-100.7 120.8 38.5 41.1 10.6 78 87 A L S S- 0 0 22 18,-2.6 2,-0.3 -2,-0.5 19,-0.2 0.801 82.5 -10.2 -75.7 -37.7 41.0 43.8 11.7 79 88 A D E -E 96 0B 25 17,-1.3 17,-2.5 251,-0.1 2,-0.3 -0.989 52.8-158.1-159.0 150.0 43.8 41.4 10.9 80 89 A V E +E 95 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.980 27.7 159.5-132.0 133.8 44.7 37.8 10.1 81 90 A F E -E 94 0B 14 13,-2.0 13,-2.1 -2,-0.3 -2,-0.0 -0.975 25.4-164.9-149.1 159.2 48.1 36.3 10.7 82 91 A T - 0 0 16 -2,-0.3 11,-0.1 2,-0.2 -67,-0.1 -0.984 24.9-138.6-136.4 140.9 50.2 33.2 11.2 83 92 A P S S+ 0 0 24 0, 0.0 -80,-0.1 0, 0.0 10,-0.1 0.728 74.4 113.0 -69.0 -19.8 53.7 32.9 12.6 84 93 A A - 0 0 11 8,-0.3 -2,-0.2 1,-0.1 3,-0.1 -0.261 55.3-161.2 -51.6 132.9 54.4 30.4 9.8 85 94 A R S S+ 0 0 212 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.355 73.6 21.3-101.5 1.6 56.9 31.7 7.2 86 95 A S S > S- 0 0 32 1,-0.1 4,-1.5 0, 0.0 -1,-0.1 -0.971 83.4-103.3-158.3 165.5 55.8 29.2 4.6 87 96 A L T 4 S+ 0 0 59 -2,-0.3 -1,-0.1 1,-0.2 235,-0.1 0.846 119.1 51.5 -60.2 -39.1 52.9 26.9 3.6 88 97 A E T 4 S+ 0 0 158 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.868 112.6 45.1 -70.9 -34.7 54.6 23.7 4.8 89 98 A E T 4 S+ 0 0 103 -6,-0.0 2,-0.2 -3,-0.0 -1,-0.2 0.772 88.5 116.8 -73.1 -27.0 55.3 25.3 8.2 90 99 A F < + 0 0 0 -4,-1.5 3,-0.1 1,-0.2 232,-0.1 -0.207 19.5 129.3 -51.9 106.2 51.7 26.7 8.3 91 100 A N + 0 0 83 -2,-0.2 2,-0.3 1,-0.2 -41,-0.2 0.202 56.0 64.6-143.5 19.4 49.8 25.1 11.3 92 101 A D - 0 0 35 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.984 51.2-167.9-150.3 132.3 48.2 28.1 13.1 93 102 A V - 0 0 0 -47,-0.4 -47,-2.5 -2,-0.3 2,-0.4 -0.979 5.7-170.2-120.2 130.3 45.6 30.8 12.3 94 103 A Y E -DE 45 81B 0 -13,-2.1 -13,-2.0 -2,-0.4 2,-0.4 -0.991 3.9-166.1-121.1 129.9 45.0 33.9 14.4 95 104 A L E -DE 44 80B 6 -51,-2.3 -51,-3.1 -2,-0.4 2,-0.4 -0.936 3.1-164.4-116.5 132.4 42.0 36.2 13.8 96 105 A V E +DE 43 79B 1 -17,-2.5 -18,-2.6 -2,-0.4 -17,-1.3 -0.931 13.4 163.1-121.7 143.3 41.7 39.7 15.3 97 106 A T E -D 42 0B 17 -55,-2.1 -55,-2.5 -2,-0.4 2,-0.2 -0.918 48.6 -69.0-145.6 166.9 38.6 42.0 15.6 98 107 A H E -D 41 0B 81 -2,-0.3 2,-0.3 -22,-0.2 -57,-0.2 -0.475 53.2-126.3 -59.3 125.7 37.4 45.1 17.5 99 108 A L + 0 0 54 -59,-2.1 -59,-0.2 -2,-0.2 -1,-0.1 -0.592 29.5 177.9 -76.2 134.4 36.9 44.2 21.2 100 109 A M - 0 0 17 -2,-0.3 51,-0.3 2,-0.1 -1,-0.2 0.783 34.5-136.2 -99.8 -48.4 33.5 45.0 22.6 101 110 A G + 0 0 60 1,-0.2 2,-0.3 49,-0.1 49,-0.1 0.227 64.7 26.8 119.5 -12.9 34.2 43.6 26.1 102 111 A A - 0 0 34 47,-0.4 47,-2.4 43,-0.0 2,-0.2 -0.947 67.9-118.8-159.7 173.6 31.1 41.6 27.1 103 112 A D B > -G 148 0C 37 -2,-0.3 4,-1.0 45,-0.3 3,-0.5 -0.698 35.5-101.2-117.5 176.0 28.2 39.6 25.8 104 113 A L H > S+ 0 0 1 40,-1.7 4,-2.6 43,-1.4 5,-0.2 0.797 121.8 58.4 -69.2 -31.5 24.4 40.0 26.1 105 114 A N H > S+ 0 0 37 39,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.806 102.1 55.6 -64.1 -32.9 24.2 37.3 28.8 106 115 A N H 4 S+ 0 0 100 -3,-0.5 -1,-0.2 38,-0.2 -2,-0.2 0.809 114.1 41.2 -64.8 -32.8 26.7 39.5 30.8 107 116 A I H < S+ 0 0 41 -4,-1.0 -2,-0.2 1,-0.1 4,-0.1 0.975 111.3 50.4 -81.1 -65.6 24.2 42.4 30.5 108 117 A V H >< S+ 0 0 9 -4,-2.6 3,-2.1 2,-0.1 -3,-0.2 0.827 91.3 95.8 -35.0 -47.0 20.8 40.7 31.0 109 118 A K T 3< S- 0 0 114 -4,-1.3 3,-0.1 1,-0.3 90,-0.0 -0.303 104.3 -6.2 -68.5 128.4 22.0 39.0 34.2 110 119 A C T 3 S+ 0 0 142 1,-0.2 2,-0.4 89,-0.1 -1,-0.3 0.500 119.1 108.4 71.2 10.7 21.1 40.9 37.4 111 120 A Q < - 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0 0 1 -4,-1.9 -1,-0.2 26,-0.4 -2,-0.1 -0.036 34.3 -58.1 88.3 165.2 0.4 26.1 20.1 221 241 A T S S- 0 0 23 24,-2.6 26,-0.1 1,-0.1 50,-0.1 -0.454 76.8 -76.1 -72.5 154.5 0.4 22.7 18.4 222 242 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.245 45.5-135.8 -54.1 137.9 0.7 22.8 14.5 223 243 A G > - 0 0 47 -3,-0.1 4,-2.4 1,-0.0 3,-0.3 -0.327 35.9 -88.7 -80.9 177.0 -2.4 23.8 12.5 224 244 A A H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.853 123.7 56.8 -57.6 -45.3 -3.5 22.0 9.4 225 245 A E H 4 S+ 0 0 120 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.916 113.2 40.8 -54.6 -46.4 -1.4 24.1 7.0 226 246 A L H >4 S+ 0 0 33 -3,-0.3 3,-1.8 1,-0.2 4,-0.3 0.901 109.6 57.6 -71.2 -44.5 1.8 23.3 8.8 227 247 A L H >< S+ 0 0 25 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.847 99.5 61.2 -52.4 -38.5 1.0 19.6 9.4 228 248 A K T 3< S+ 0 0 150 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.717 101.8 53.2 -62.9 -22.9 0.7 19.2 5.7 229 249 A K T < S+ 0 0 80 -3,-1.8 2,-0.7 -4,-0.4 -1,-0.3 0.423 81.5 100.9 -94.5 -2.7 4.3 20.2 5.3 230 250 A I < - 0 0 28 -3,-1.4 6,-0.0 -4,-0.3 -53,-0.0 -0.782 48.1-175.6 -89.8 112.8 5.8 17.6 7.7 231 251 A S + 0 0 112 -2,-0.7 2,-0.4 4,-0.0 -1,-0.2 0.826 56.3 88.7 -76.4 -36.4 7.2 14.8 5.6 232 252 A S > - 0 0 49 1,-0.2 4,-2.1 2,-0.0 5,-0.1 -0.548 60.2-158.7 -77.6 121.0 8.2 12.5 8.5 233 253 A E H > S+ 0 0 120 -2,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.879 94.0 50.6 -62.3 -40.8 5.5 10.1 9.6 234 254 A S H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 108.2 50.2 -69.3 -42.3 7.2 9.7 13.0 235 255 A A H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.940 115.6 45.4 -57.3 -45.9 7.6 13.4 13.7 236 256 A R H X S+ 0 0 34 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.907 109.4 53.3 -66.1 -44.8 3.9 13.7 12.8 237 257 A N H X S+ 0 0 92 -4,-3.0 4,-0.8 2,-0.2 -1,-0.2 0.948 115.1 43.3 -51.0 -52.0 2.8 10.7 14.9 238 258 A Y H >X S+ 0 0 78 -4,-2.4 3,-1.4 2,-0.2 4,-0.9 0.984 116.3 43.7 -57.3 -65.1 4.6 12.3 17.9 239 259 A I H >< S+ 0 0 8 -4,-2.8 3,-1.0 1,-0.3 -2,-0.2 0.888 117.9 45.5 -48.1 -50.2 3.4 15.9 17.4 240 260 A Q H 3< S+ 0 0 105 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.572 106.8 59.8 -75.8 -12.7 -0.2 14.9 16.7 241 261 A S H << S+ 0 0 101 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.547 88.8 90.7 -89.6 -11.8 -0.2 12.4 19.7 242 262 A L S << S- 0 0 46 -3,-1.0 2,-0.3 -4,-0.9 3,-0.1 -0.404 100.0 -87.0 -72.3 160.1 0.6 15.3 22.1 243 263 A T - 0 0 117 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.596 55.4-105.2 -70.1 128.3 -2.4 17.0 23.7 244 264 A Q - 0 0 133 -2,-0.3 -1,-0.1 -4,-0.1 -4,-0.0 -0.257 39.6-160.0 -63.2 145.9 -3.5 19.8 21.2 245 265 A M - 0 0 64 -23,-0.1 -24,-2.6 -3,-0.1 2,-0.1 -0.989 10.1-133.3-137.4 124.1 -2.5 23.2 22.4 246 266 A P - 0 0 86 0, 0.0 2,-0.4 0, 0.0 -26,-0.4 -0.478 34.8-100.3 -73.9 153.6 -3.8 26.6 21.4 247 267 A K - 0 0 111 -28,-0.3 -28,-0.2 -2,-0.1 -29,-0.1 -0.626 47.9-125.7 -63.9 123.8 -1.5 29.5 20.5 248 268 A M - 0 0 86 -30,-3.0 2,-0.5 -2,-0.4 -1,-0.1 -0.380 24.0 -97.6 -71.7 154.3 -1.5 31.6 23.7 249 269 A N > - 0 0 88 1,-0.1 4,-1.6 -2,-0.1 3,-0.2 -0.639 28.8-152.4 -69.7 120.6 -2.4 35.3 23.6 250 270 A F H > S+ 0 0 2 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.727 93.7 61.3 -71.8 -23.1 1.0 37.1 23.6 251 271 A A H 4 S+ 0 0 51 2,-0.2 -1,-0.2 1,-0.2 6,-0.2 0.876 106.6 46.4 -66.5 -39.5 -0.6 40.1 25.3 252 272 A N H 4 S+ 0 0 108 -3,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.900 116.6 43.0 -65.0 -45.0 -1.4 37.9 28.3 253 273 A V H < S+ 0 0 49 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.901 122.8 35.9 -72.1 -45.2 2.0 36.2 28.4 254 274 A F S >< S+ 0 0 7 -4,-2.2 3,-1.7 -5,-0.1 -1,-0.2 0.072 86.1 168.1-101.2 19.8 4.1 39.4 27.9 255 275 A I T 3 + 0 0 121 -3,-0.5 3,-0.1 1,-0.3 -3,-0.1 0.034 62.7 28.4 -22.6 126.0 1.7 41.6 29.9 256 276 A G T 3 S+ 0 0 94 1,-0.3 2,-0.3 -5,-0.1 -1,-0.3 0.336 93.3 119.8 91.7 -5.9 3.2 45.0 30.7 257 277 A A S < S- 0 0 21 -3,-1.7 -1,-0.3 -6,-0.2 5,-0.1 -0.674 82.7 -82.7 -90.6 145.6 5.4 45.2 27.6 258 278 A N >> - 0 0 53 -2,-0.3 4,-1.9 1,-0.2 3,-1.4 -0.238 39.8-135.5 -37.0 113.2 5.2 47.8 24.9 259 279 A P H 3> S+ 0 0 104 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.749 107.2 58.7 -52.1 -27.0 2.3 46.4 22.8 260 280 A L H 3> S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 27,-0.3 0.813 107.0 47.0 -69.4 -33.5 4.5 47.3 19.7 261 281 A A H <> S+ 0 0 0 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.781 111.8 50.4 -75.7 -32.5 7.1 44.9 21.2 262 282 A V H X S+ 0 0 11 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.872 109.0 52.1 -71.5 -37.5 4.5 42.3 21.8 263 283 A D H X S+ 0 0 54 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.902 111.8 45.1 -65.3 -43.8 3.2 42.6 18.2 264 284 A L H >X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 3,-0.6 0.908 108.4 59.4 -63.8 -44.2 6.7 42.1 16.8 265 285 A L H >X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 3,-0.6 0.928 106.0 46.3 -48.7 -52.7 7.3 39.2 19.2 266 286 A E H 3< S+ 0 0 54 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.730 109.4 54.4 -71.5 -18.9 4.4 37.2 17.8 267 287 A K H << S+ 0 0 77 -4,-0.9 10,-2.0 -3,-0.6 3,-0.4 0.742 113.6 43.2 -77.5 -26.9 5.4 37.9 14.2 268 288 A M H << S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.6 -78,-0.2 0.801 114.8 48.8 -84.6 -35.5 8.9 36.5 15.0 269 289 A L S < S+ 0 0 2 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.2 -0.055 72.2 139.2-102.7 30.6 7.6 33.5 17.0 270 290 A V - 0 0 47 -3,-0.4 6,-0.1 1,-0.1 5,-0.1 -0.598 54.2-135.0 -68.3 133.5 5.0 32.3 14.5 271 291 A L S S+ 0 0 29 -2,-0.3 2,-0.5 -52,-0.3 -99,-0.2 0.935 88.8 71.7 -62.5 -51.3 5.3 28.5 14.6 272 292 A D S > S- 0 0 15 1,-0.2 3,-2.0 3,-0.1 4,-0.3 -0.576 76.0-150.1 -68.4 117.3 5.2 27.9 10.8 273 293 A S G > S+ 0 0 7 -2,-0.5 3,-0.9 1,-0.3 -1,-0.2 0.762 93.5 65.4 -64.4 -27.0 8.6 29.2 9.6 274 294 A D G 3 S+ 0 0 89 1,-0.2 -1,-0.3 -93,-0.0 -2,-0.1 0.693 104.2 47.6 -63.6 -22.3 7.1 30.2 6.2 275 295 A K G < S+ 0 0 122 -3,-2.0 -1,-0.2 -5,-0.1 2,-0.2 0.414 86.9 111.8-102.5 -2.1 4.9 32.7 8.1 276 296 A R S < S- 0 0 9 -3,-0.9 -8,-0.2 -4,-0.3 -93,-0.1 -0.510 73.7-105.9 -77.4 141.1 7.7 34.3 10.2 277 297 A I - 0 0 19 -10,-2.0 2,-0.2 -2,-0.2 -1,-0.1 -0.218 33.6-125.9 -60.0 147.7 8.8 37.9 9.6 278 298 A T > - 0 0 58 1,-0.1 4,-2.5 -92,-0.0 5,-0.2 -0.554 23.3-107.9 -90.1 165.4 12.1 38.5 7.8 279 299 A A H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -149,-0.2 0.890 121.5 48.6 -57.9 -41.9 15.0 40.6 9.2 280 300 A A H > S+ 0 0 48 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.897 113.1 46.4 -67.6 -42.7 14.2 43.3 6.5 281 301 A Q H >4 S+ 0 0 116 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.885 111.8 52.4 -63.9 -38.8 10.5 43.3 7.2 282 302 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 6,-0.3 0.848 101.3 59.1 -68.5 -35.8 11.2 43.5 11.0 283 303 A L H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.706 105.8 50.8 -66.6 -23.1 13.5 46.5 10.6 284 304 A A T << S+ 0 0 65 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.419 85.9 116.0 -89.5 -4.0 10.5 48.3 9.1 285 305 A H S X S- 0 0 23 -3,-1.5 3,-1.8 -4,-0.2 7,-0.1 -0.393 78.8-115.9 -70.6 148.2 8.2 47.3 12.0 286 306 A A G > S+ 0 0 56 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.608 106.6 76.1 -65.2 -17.0 6.9 50.3 14.1 287 307 A Y G 3 S+ 0 0 4 -27,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.811 100.8 44.3 -61.9 -29.1 8.7 49.2 17.2 288 308 A F G X> S+ 0 0 0 -3,-1.8 4,-2.8 -6,-0.3 3,-0.7 -0.021 73.1 119.6-106.4 29.2 12.0 50.5 15.6 289 309 A A T <4 S+ 0 0 81 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.830 75.7 56.5 -58.5 -33.1 10.5 53.8 14.3 290 310 A Q T 34 S+ 0 0 120 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.774 120.7 25.2 -67.9 -32.8 13.1 55.6 16.5 291 311 A Y T <4 S+ 0 0 65 -3,-0.7 -2,-0.2 -8,-0.1 -1,-0.1 0.709 91.9 114.7-106.2 -27.7 16.1 53.8 15.0 292 312 A H < + 0 0 64 -4,-2.8 -8,-0.1 -7,-0.1 3,-0.1 -0.114 25.0 160.9 -62.6 138.2 15.0 52.8 11.4 293 313 A D > - 0 0 68 -10,-0.1 3,-2.9 1,-0.1 -9,-0.0 -0.701 24.2-160.8-154.5 98.5 16.7 54.2 8.3 294 314 A P G > S+ 0 0 86 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.766 95.0 58.9 -55.7 -25.1 16.2 52.3 5.0 295 315 A D G 3 S+ 0 0 152 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.378 109.2 44.8 -80.3 0.8 19.2 54.2 3.6 296 316 A D G < S+ 0 0 79 -3,-2.9 -1,-0.2 1,-0.1 -3,-0.0 -0.189 86.9 86.6-139.4 39.9 21.4 52.8 6.4 297 317 A E S < S- 0 0 8 -3,-0.7 -1,-0.1 -5,-0.1 -14,-0.0 -0.576 71.1-166.1-134.3 68.7 20.5 49.2 6.6 298 318 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.017 12.8-133.9 -70.2 164.5 23.0 47.9 4.0 299 319 A V - 0 0 84 -165,-0.1 -168,-0.2 -166,-0.1 2,-0.1 -0.763 26.4-104.7-114.0 155.1 23.1 44.5 2.3 300 320 A A - 0 0 12 -169,-0.6 3,-0.1 -170,-0.3 -231,-0.1 -0.466 28.8-109.4 -84.7 152.9 26.2 42.3 1.7 301 321 A D - 0 0 113 -233,-0.2 2,-0.1 1,-0.2 -1,-0.1 -0.244 61.9 -67.3 -65.8 164.0 28.1 41.7 -1.5 302 322 A P - 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.418 51.8-147.8 -63.7 130.4 27.7 38.2 -3.0 303 323 A Y - 0 0 17 -168,-0.2 2,-1.1 -169,-0.2 -238,-0.0 -0.889 6.1-139.5-104.5 120.3 29.2 35.5 -0.9 304 324 A D + 0 0 86 -2,-0.6 3,-0.3 1,-0.2 -169,-0.0 -0.676 33.7 160.1 -81.2 100.8 30.7 32.4 -2.6 305 325 A Q > + 0 0 54 -2,-1.1 3,-1.4 1,-0.1 4,-0.4 0.111 38.4 114.0 -99.0 15.5 29.7 29.4 -0.5 306 326 A S G > + 0 0 46 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.773 65.9 68.2 -63.9 -23.5 30.3 26.9 -3.4 307 327 A F G > S+ 0 0 8 -3,-0.3 3,-2.1 1,-0.2 -1,-0.3 0.803 82.0 77.6 -60.6 -32.0 33.2 25.3 -1.4 308 328 A E G < S+ 0 0 60 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.833 93.8 48.7 -43.5 -40.4 30.6 24.1 1.1 309 329 A S G < S+ 0 0 89 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.640 94.3 103.2 -78.7 -12.7 29.7 21.3 -1.4 310 330 A R < - 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