==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-MAY-11 2YIX . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.S.MILLAN,M.ANDERSON,M.E.BUNNAGE,J.L.BURROWS,K.J.BUTCHER,P. . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 63.8 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 . 36 10.3 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 . 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 . 34 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 27.4 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 1 1 0 1 0 1 0 1 1 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 2 1 2 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 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 4 A E 0 0 239 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.6 26.8 1.8 23.4 2 5 A R - 0 0 87 1,-0.1 3,-0.0 3,-0.0 89,-0.0 -0.720 360.0-133.2 -84.7 124.6 24.4 3.9 21.2 3 6 A P - 0 0 65 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.200 30.1 -94.4 -70.5 168.5 21.1 2.1 20.2 4 7 A T - 0 0 84 13,-0.0 15,-2.7 0, 0.0 2,-0.3 -0.778 41.7-153.2 -87.4 123.4 19.8 2.1 16.6 5 8 A F E -A 18 0A 24 -2,-0.6 2,-0.3 13,-0.3 11,-0.1 -0.681 7.5-162.9 -94.4 151.3 17.3 4.9 16.1 6 9 A Y E -A 17 0A 61 11,-2.3 11,-2.0 -2,-0.3 2,-0.3 -0.941 12.7-133.6-131.3 150.2 14.5 4.9 13.4 7 10 A R E +A 16 0A 151 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.815 26.9 159.5-110.1 151.2 12.5 7.9 12.1 8 11 A Q E -A 15 0A 51 7,-1.0 7,-3.5 -2,-0.3 2,-0.6 -0.965 38.1-111.3-159.2 159.7 8.8 8.5 11.5 9 12 A E E +A 14 0A 132 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.894 38.8 166.3-104.9 122.7 6.4 11.5 11.1 10 13 A L E > -A 13 0A 23 3,-3.3 3,-1.7 -2,-0.6 -2,-0.1 -0.996 68.7 -5.6-136.9 130.9 3.9 12.0 13.9 11 14 A N T 3 S- 0 0 95 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.819 128.0 -60.2 54.6 35.3 1.7 15.2 14.6 12 15 A K T 3 S+ 0 0 198 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.694 120.8 110.3 63.5 24.2 3.6 16.9 11.6 13 16 A T E < S-A 10 0A 41 -3,-1.7 -3,-3.3 2,-0.0 2,-0.5 -0.935 73.9-118.1-124.0 145.7 6.8 16.3 13.7 14 17 A I E -A 9 0A 67 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.767 25.1-159.6 -87.9 124.1 9.7 13.9 13.0 15 18 A W E -A 8 0A 0 -7,-3.5 -7,-1.0 -2,-0.5 2,-0.6 -0.925 11.4-179.8-109.3 106.2 10.1 11.3 15.8 16 19 A E E +A 7 0A 51 -2,-0.6 -9,-0.2 -9,-0.2 -11,-0.1 -0.939 22.4 154.5-105.9 104.8 13.6 9.7 15.8 17 20 A V E -A 6 0A 1 -11,-2.0 -11,-2.3 -2,-0.6 -2,-0.0 -0.939 47.5 -82.7-130.8 154.5 13.6 7.2 18.7 18 21 A P E > -A 5 0A 2 0, 0.0 3,-1.7 0, 0.0 -13,-0.3 -0.206 42.1-111.1 -58.6 150.9 15.5 3.9 19.5 19 22 A E T 3 S+ 0 0 112 -15,-2.7 -14,-0.1 1,-0.3 22,-0.1 0.668 109.9 74.2 -50.8 -31.3 14.3 0.6 17.9 20 23 A R T 3 S+ 0 0 53 -16,-0.2 21,-2.7 1,-0.1 2,-0.7 0.785 84.3 75.1 -58.0 -31.9 13.1 -0.8 21.3 21 24 A Y E < +B 40 0B 0 -3,-1.7 2,-0.2 19,-0.2 19,-0.2 -0.778 68.4 172.2 -90.7 110.6 10.0 1.6 21.2 22 25 A Q E +B 39 0B 71 17,-2.5 17,-3.1 -2,-0.7 -2,-0.0 -0.738 47.3 27.7-117.5 161.1 7.5 0.4 18.7 23 26 A N E S- 0 0 126 -2,-0.2 2,-0.2 15,-0.2 -1,-0.2 0.888 71.4-166.7 54.7 52.3 3.9 1.3 17.7 24 27 A L E + 0 0 15 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.518 12.4 171.9 -69.5 131.4 4.1 5.0 18.5 25 28 A S E -B 37 0B 62 12,-2.2 12,-3.0 -2,-0.2 -15,-0.0 -0.980 36.0-108.4-142.9 129.4 0.7 6.7 18.6 26 29 A P E -B 36 0B 54 0, 0.0 2,-0.3 0, 0.0 10,-0.3 -0.265 41.2-172.1 -60.1 140.0 -0.2 10.3 19.8 27 30 A V > + 0 0 48 8,-2.3 3,-0.5 1,-0.1 8,-0.5 -0.937 51.9 31.4-131.2 159.2 -2.1 10.4 23.1 28 31 A G G > S- 0 0 33 -2,-0.3 3,-1.8 1,-0.2 5,-0.1 0.353 98.1-101.0 79.1 -0.3 -3.8 13.0 25.2 29 32 A S G 3 S- 0 0 133 1,-0.3 -1,-0.2 6,-0.1 5,-0.1 0.895 81.2 -52.5 52.5 47.4 -5.0 15.3 22.3 30 33 A G G X S+ 0 0 57 -3,-0.5 3,-1.0 3,-0.4 -1,-0.3 0.390 112.5 119.3 72.3 -1.8 -2.1 17.8 23.0 31 34 A A T < S+ 0 0 77 -3,-1.8 -2,-0.1 1,-0.3 -3,-0.1 0.815 85.2 31.6 -62.1 -34.5 -3.1 18.1 26.7 32 35 A Y T 3 S- 0 0 68 1,-0.5 -1,-0.3 -5,-0.3 2,-0.2 0.146 120.3-111.8-107.2 14.4 0.3 16.8 27.9 33 36 A G S < S- 0 0 35 -3,-1.0 2,-1.7 -5,-0.1 -1,-0.5 -0.557 77.5 -7.7 85.7-156.3 2.2 18.2 24.9 34 37 A S S S+ 0 0 26 17,-0.4 17,-2.4 -2,-0.2 2,-0.4 -0.584 88.4 154.7 -78.6 81.5 3.8 16.1 22.1 35 38 A V E - C 0 50B 15 -2,-1.7 -8,-2.3 -8,-0.5 2,-0.4 -0.927 24.1-170.6-117.1 136.8 3.3 12.7 23.8 36 39 A C E -BC 26 49B 0 13,-2.1 13,-3.0 -2,-0.4 2,-0.3 -0.975 21.3-132.0-124.2 139.4 3.0 9.3 22.1 37 40 A A E +BC 25 48B 1 -12,-3.0 -12,-2.2 -2,-0.4 2,-0.3 -0.674 38.5 173.1 -83.5 142.8 2.0 5.9 23.7 38 41 A A E - C 0 47B 2 9,-2.0 9,-2.6 -2,-0.3 2,-0.6 -0.961 35.4-117.0-148.4 160.8 4.6 3.2 22.7 39 42 A F E -BC 22 46B 79 -17,-3.1 -17,-2.5 -2,-0.3 2,-0.8 -0.937 23.0-148.1-104.5 120.8 5.4 -0.4 23.4 40 43 A D E > -B 21 0B 1 5,-2.9 4,-2.6 -2,-0.6 3,-0.5 -0.839 9.2-168.7 -92.1 105.9 8.8 -0.8 25.0 41 44 A T T 4 S+ 0 0 79 -21,-2.7 -1,-0.1 -2,-0.8 -20,-0.1 0.675 83.4 58.6 -67.7 -20.8 10.1 -4.2 23.8 42 45 A K T 4 S+ 0 0 154 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.812 122.5 19.2 -81.1 -30.9 12.9 -4.2 26.3 43 46 A T T 4 S- 0 0 30 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.620 96.1-126.2-110.9 -21.6 10.8 -3.9 29.5 44 47 A G < + 0 0 47 -4,-2.6 2,-0.2 1,-0.3 -3,-0.2 0.417 66.3 133.3 84.9 3.4 7.4 -5.1 28.1 45 48 A L - 0 0 57 -5,-0.4 -5,-2.9 -6,-0.1 2,-0.5 -0.498 63.0-122.9 -87.8 154.9 5.8 -1.9 29.4 46 49 A R E -C 39 0B 149 -7,-0.2 59,-1.9 59,-0.2 2,-0.3 -0.847 44.3-168.6 -89.0 124.3 3.4 0.5 27.7 47 50 A V E -CD 38 104B 0 -9,-2.6 -9,-2.0 -2,-0.5 2,-0.5 -0.807 26.7-131.9-120.3 161.1 5.2 3.9 27.9 48 51 A A E -CD 37 103B 13 55,-3.0 55,-2.4 -2,-0.3 2,-0.5 -0.963 25.1-164.7-111.9 124.0 4.5 7.6 27.3 49 52 A V E -CD 36 102B 1 -13,-3.0 -13,-2.1 -2,-0.5 2,-0.5 -0.972 0.7-163.4-114.4 119.8 7.2 9.2 25.2 50 53 A K E -CD 35 101B 29 51,-3.0 51,-2.3 -2,-0.5 2,-0.7 -0.884 9.3-157.4-107.8 125.0 7.4 13.1 25.1 51 54 A K E - D 0 100B 24 -17,-2.4 -17,-0.4 -2,-0.5 49,-0.2 -0.868 30.4-125.9 -93.9 114.6 9.3 14.9 22.4 52 55 A L - 0 0 18 47,-2.3 2,-0.4 -2,-0.7 47,-0.3 -0.405 19.3-131.2 -64.0 132.5 10.1 18.3 24.0 53 56 A S S S- 0 0 87 1,-0.2 -1,-0.1 -2,-0.1 45,-0.0 -0.763 77.6 -19.7 -90.0 131.6 8.9 21.3 21.8 54 57 A R S > S- 0 0 181 -2,-0.4 3,-1.1 1,-0.1 -1,-0.2 0.859 77.5-179.7 39.5 55.2 11.5 24.1 21.2 55 58 A P T 3 S+ 0 0 6 0, 0.0 10,-0.5 0, 0.0 11,-0.2 0.712 75.4 27.8 -59.7 -23.8 13.6 23.0 24.3 56 59 A F T 3 S+ 0 0 27 41,-0.2 6,-0.1 1,-0.1 -2,-0.1 0.082 79.5 119.7-126.0 23.6 16.3 25.7 24.0 57 60 A Q S < S+ 0 0 112 -3,-1.1 2,-0.3 4,-0.1 -1,-0.1 0.683 86.3 1.4 -62.3 -24.5 14.4 28.6 22.3 58 61 A S S > S- 0 0 30 -4,-0.2 4,-2.5 -3,-0.1 5,-0.1 -0.907 80.1 -98.2-152.5 173.4 15.0 31.0 25.2 59 62 A I H > S+ 0 0 77 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.918 124.9 49.1 -63.2 -45.7 16.8 31.1 28.7 60 63 A I H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 114.7 43.4 -59.8 -49.2 13.4 30.4 30.4 61 64 A H H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.874 113.6 51.1 -68.8 -36.3 12.6 27.5 28.0 62 65 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.955 113.6 45.7 -63.4 -46.9 16.3 26.1 28.3 63 66 A K H X S+ 0 0 36 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.862 110.5 54.9 -61.8 -36.2 15.9 26.3 32.1 64 67 A R H X S+ 0 0 46 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.873 107.9 48.4 -63.1 -42.3 12.4 24.6 31.8 65 68 A T H X S+ 0 0 10 -4,-2.1 4,-2.2 -10,-0.5 -2,-0.2 0.931 114.7 45.4 -64.4 -47.4 13.9 21.7 29.9 66 69 A Y H X S+ 0 0 8 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.914 112.3 51.4 -61.5 -49.4 16.6 21.3 32.5 67 70 A R H X S+ 0 0 28 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.912 111.6 47.0 -54.4 -50.2 14.1 21.6 35.4 68 71 A E H X S+ 0 0 16 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.959 114.1 45.8 -60.0 -52.1 11.8 18.9 34.0 69 72 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.934 115.3 48.2 -54.7 -49.6 14.7 16.4 33.3 70 73 A R H X S+ 0 0 37 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.925 113.9 45.9 -55.1 -54.4 16.2 17.1 36.8 71 74 A L H X S+ 0 0 5 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.906 114.6 47.3 -54.6 -51.5 12.8 16.6 38.5 72 75 A L H < S+ 0 0 18 -4,-2.9 11,-1.0 1,-0.2 -1,-0.2 0.837 111.4 51.2 -62.2 -39.2 11.9 13.4 36.5 73 76 A K H < S+ 0 0 42 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.835 109.6 51.3 -67.8 -35.6 15.4 11.9 37.2 74 77 A H H < S+ 0 0 35 -4,-1.7 2,-0.5 -5,-0.2 244,-0.3 0.846 89.8 90.0 -70.2 -38.4 15.1 12.5 41.0 75 78 A M < + 0 0 3 -4,-1.5 8,-0.5 6,-0.2 2,-0.2 -0.540 37.5 158.1 -74.8 111.8 11.6 10.9 41.4 76 79 A K + 0 0 164 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.695 34.4 116.6-131.5 72.5 11.7 7.2 42.3 77 80 A H > - 0 0 18 3,-0.5 3,-1.4 -2,-0.2 57,-0.0 -0.990 68.0-124.5-143.9 142.6 8.3 6.5 44.0 78 81 A E T 3 S+ 0 0 119 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.756 112.1 42.3 -54.6 -34.6 5.3 4.3 43.0 79 82 A N T 3 S+ 0 0 6 83,-0.1 84,-2.2 51,-0.1 2,-0.4 0.211 105.2 72.7-103.0 11.1 2.9 7.3 43.1 80 83 A V B < S-f 163 0C 2 -3,-1.4 -3,-0.5 82,-0.3 2,-0.2 -0.987 87.3-112.8-128.1 135.2 5.1 9.8 41.4 81 84 A I + 0 0 12 82,-2.4 2,-0.2 -2,-0.4 -6,-0.2 -0.480 44.7 179.8 -67.9 134.2 5.8 9.8 37.7 82 85 A G - 0 0 15 -2,-0.2 2,-0.6 -4,-0.1 22,-0.2 -0.598 32.6 -85.0-125.0-174.3 9.5 9.1 37.1 83 86 A L + 0 0 17 -11,-1.0 20,-0.2 -8,-0.5 3,-0.1 -0.890 33.0 170.8-102.9 117.6 12.0 8.7 34.2 84 87 A L S S- 0 0 21 18,-3.2 2,-0.3 -2,-0.6 19,-0.2 0.782 76.0 -11.8 -88.0 -32.7 12.2 5.2 32.6 85 88 A D E -E 102 0B 23 17,-1.4 17,-2.7 262,-0.1 -1,-0.4 -0.981 52.1-161.6-164.3 155.0 14.5 6.6 29.9 86 89 A V E +E 101 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.990 24.4 167.9-140.7 132.4 15.8 9.8 28.3 87 90 A F E -E 100 0B 12 13,-1.8 13,-1.8 -2,-0.3 256,-0.1 -0.973 24.1-167.1-148.0 162.6 17.4 10.0 24.8 88 91 A T - 0 0 10 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.981 25.5-139.4-142.3 136.7 18.6 12.2 21.9 89 92 A P S S+ 0 0 20 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.731 76.0 109.6 -66.4 -19.4 19.5 11.0 18.3 90 93 A A - 0 0 14 8,-0.2 -2,-0.2 1,-0.1 6,-0.1 -0.291 57.1-160.0 -61.4 136.7 22.5 13.5 18.6 91 94 A R S S+ 0 0 170 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.481 76.1 17.4 -95.0 -10.0 26.1 12.0 18.9 92 95 A S S > S- 0 0 26 1,-0.1 3,-0.6 0, 0.0 4,-0.3 -0.954 80.6-105.7-153.7 164.9 27.6 15.2 20.4 93 96 A L G > S+ 0 0 56 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.855 118.1 63.7 -60.2 -38.3 26.6 18.5 22.1 94 97 A E G 3 S+ 0 0 169 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.790 112.2 35.0 -58.8 -31.7 27.4 20.3 18.8 95 98 A E G < S+ 0 0 100 -3,-0.6 2,-0.3 -6,-0.0 -1,-0.3 0.343 91.5 126.4-104.1 4.5 24.5 18.3 17.2 96 99 A F < + 0 0 0 -3,-1.3 3,-0.1 -4,-0.3 -3,-0.1 -0.470 16.1 127.7 -69.8 123.5 22.3 18.3 20.3 97 100 A N + 0 0 98 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.560 53.0 56.9-140.6 -42.2 18.8 19.6 19.7 98 101 A D - 0 0 52 -44,-0.1 2,-0.4 -43,-0.1 -1,-0.3 -0.852 50.8-163.6-113.5 142.6 16.1 17.3 20.8 99 102 A V - 0 0 0 -2,-0.3 -47,-2.3 -47,-0.3 2,-0.5 -0.978 5.3-165.7-120.9 133.1 15.2 15.7 24.2 100 103 A Y E -DE 51 87B 2 -13,-1.8 -13,-1.8 -2,-0.4 2,-0.4 -0.990 6.5-159.4-121.0 123.7 12.8 12.7 24.5 101 104 A L E -DE 50 86B 8 -51,-2.3 -51,-3.0 -2,-0.5 2,-0.4 -0.892 5.3-161.6-107.0 133.2 11.4 11.8 27.9 102 105 A V E +DE 49 85B 1 -17,-2.7 -18,-3.2 -2,-0.4 -17,-1.4 -0.968 20.1 149.8-120.5 129.2 10.1 8.3 28.7 103 106 A T E -D 48 0B 26 -55,-2.4 -55,-3.0 -2,-0.4 -20,-0.1 -0.899 50.4 -67.1-142.6 174.5 7.8 7.2 31.5 104 107 A H E -D 47 0B 57 -2,-0.3 2,-0.6 -57,-0.2 -57,-0.2 -0.271 43.4-132.8 -61.4 146.5 5.1 4.7 32.4 105 108 A L + 0 0 33 -59,-1.9 -59,-0.2 1,-0.2 -1,-0.1 -0.931 23.8 178.7-102.7 119.0 1.8 5.1 30.6 106 109 A M - 0 0 21 -2,-0.6 51,-0.3 50,-0.1 -1,-0.2 0.868 32.2-140.3 -86.2 -35.6 -1.2 4.9 33.0 107 110 A G + 0 0 62 49,-0.1 2,-0.3 1,-0.1 49,-0.1 -0.012 68.3 41.0 105.3 -26.9 -3.7 5.4 30.1 108 111 A A E -G 155 0C 28 47,-1.0 47,-2.4 -80,-0.0 2,-0.2 -0.938 67.8-130.9-145.1 164.1 -6.1 7.7 31.8 109 112 A D E -G 154 0C 14 -2,-0.3 3,-0.3 45,-0.3 45,-0.2 -0.663 45.0 -91.2-107.8 169.8 -6.3 10.8 34.2 110 113 A L S >> S+ 0 0 2 40,-1.7 4,-2.0 43,-1.5 3,-0.8 0.804 127.5 50.3 -56.2 -29.7 -8.5 11.1 37.4 111 114 A N T 34 S+ 0 0 60 39,-0.2 -1,-0.2 1,-0.2 40,-0.1 0.920 99.8 63.4 -71.5 -41.8 -11.4 12.7 35.3 112 115 A N T 34 S+ 0 0 100 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.230 114.9 35.3 -66.7 14.4 -11.3 9.9 32.7 113 116 A I T <4 S+ 0 0 61 -3,-0.8 2,-0.6 -5,-0.0 -2,-0.2 0.551 124.0 35.0-129.0 -54.9 -12.3 7.6 35.6 114 117 A V < + 0 0 16 -4,-2.0 2,-0.5 2,-0.0 -2,-0.1 -0.706 69.2 167.0-115.4 76.0 -14.7 9.6 37.8 115 118 A K S S- 0 0 160 -2,-0.6 3,-0.1 1,-0.2 -4,-0.0 -0.841 76.8 -29.0 -95.4 117.7 -16.8 11.9 35.6 116 119 A C S S+ 0 0 93 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.326 111.0 125.5 57.9 -2.7 -19.8 13.5 37.5 117 120 A Q - 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0 0 37 -2,-0.3 -9,-0.1 1,-0.1 -33,-0.0 -0.406 29.7-142.2 -62.3 131.4 -16.5 20.3 42.0 219 222 A L S S+ 0 0 35 -11,-0.5 -1,-0.1 1,-0.2 -34,-0.1 0.952 90.2 15.1 -63.9 -52.1 -16.0 21.8 45.5 220 223 A F + 0 0 4 -36,-0.4 2,-2.2 2,-0.1 -1,-0.2 -0.594 67.4 171.2-124.4 72.8 -15.3 25.5 44.4 221 224 A P - 0 0 37 0, 0.0 -40,-0.1 0, 0.0 -3,-0.0 -0.357 21.6-175.7 -81.6 64.0 -16.4 25.9 40.7 222 225 A G - 0 0 0 -2,-2.2 -42,-0.4 1,-0.1 -39,-0.1 -0.294 31.1-141.7 -61.6 140.5 -16.0 29.7 40.8 223 226 A T S S- 0 0 74 -44,-0.2 2,-0.2 1,-0.1 -44,-0.2 0.498 86.4 -10.7 -78.2 -11.0 -17.1 31.7 37.6 224 227 A D S > S- 0 0 67 -46,-0.1 4,-2.6 -47,-0.1 5,-0.2 -0.913 90.2 -77.9-171.6 174.6 -14.0 33.9 38.2 225 228 A H H > S+ 0 0 55 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.837 128.2 45.3 -53.5 -43.3 -11.3 34.6 40.9 226 229 A I H > S+ 0 0 60 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 112.4 48.4 -71.0 -48.0 -13.7 36.7 43.1 227 230 A D H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.918 112.0 51.4 -58.5 -42.6 -16.7 34.3 42.8 228 231 A Q H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.893 107.5 52.0 -62.3 -42.7 -14.3 31.4 43.8 229 232 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.874 109.5 50.5 -61.3 -38.7 -13.0 33.3 46.9 230 233 A K H X S+ 0 0 111 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.929 109.6 50.0 -65.2 -42.9 -16.7 33.8 48.0 231 234 A L H X S+ 0 0 60 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.912 113.2 48.4 -57.8 -44.9 -17.4 30.1 47.5 232 235 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.927 113.2 44.4 -59.6 -55.6 -14.2 29.3 49.6 233 236 A L H X S+ 0 0 1 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.722 105.4 62.1 -66.4 -27.1 -15.0 31.8 52.5 234 237 A R H < S+ 0 0 172 -4,-1.9 -1,-0.2 -5,-0.2 31,-0.2 0.948 115.5 34.4 -63.0 -43.9 -18.7 30.6 52.7 235 238 A L H < S+ 0 0 10 -4,-1.3 30,-2.7 -3,-0.2 -2,-0.2 0.912 133.4 24.5 -73.4 -53.5 -17.4 27.1 53.6 236 239 A V H < S- 0 0 16 -4,-2.6 28,-0.4 28,-0.2 52,-0.3 0.372 108.5-120.1 -99.8 2.3 -14.3 27.9 55.7 237 240 A G < - 0 0 2 -4,-1.5 -1,-0.2 26,-0.4 -3,-0.1 0.135 35.9 -61.1 78.6 166.1 -15.2 31.3 56.9 238 241 A T - 0 0 21 24,-1.7 26,-0.1 1,-0.1 23,-0.0 -0.470 69.1 -82.9 -79.5 152.6 -13.5 34.7 56.5 239 242 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.216 43.2-140.5 -59.7 148.3 -10.0 35.2 57.9 240 243 A G > - 0 0 41 -3,-0.1 4,-2.1 21,-0.0 3,-0.3 -0.450 37.0 -80.8 -98.5 175.4 -9.5 36.0 61.6 241 244 A A H > S+ 0 0 86 1,-0.2 4,-1.4 2,-0.2 -1,-0.0 0.826 125.5 50.5 -44.0 -48.3 -7.0 38.5 63.2 242 245 A E H > S+ 0 0 104 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.883 111.2 44.1 -64.4 -47.0 -4.1 36.0 63.1 243 246 A L H >> S+ 0 0 12 -3,-0.3 3,-1.2 1,-0.2 4,-0.9 0.890 108.8 59.5 -64.4 -41.6 -4.2 35.0 59.4 244 247 A L H >< S+ 0 0 26 -4,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.849 101.4 54.7 -55.4 -36.0 -4.8 38.7 58.4 245 248 A K H 3< S+ 0 0 153 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.766 107.9 50.8 -63.1 -33.2 -1.4 39.5 60.1 246 249 A K H << S+ 0 0 58 -3,-1.2 2,-1.3 -4,-0.7 -1,-0.2 0.579 82.1 96.1 -85.3 -15.0 0.2 36.7 57.8 247 250 A I << - 0 0 0 -4,-0.9 -52,-0.2 -3,-0.6 6,-0.2 -0.684 56.6-173.3 -79.8 91.7 -1.3 38.1 54.5 248 251 A S + 0 0 85 -2,-1.3 2,-0.7 -54,-0.4 -53,-0.2 0.580 58.6 91.2 -65.9 -14.6 1.9 40.1 53.5 249 252 A S > - 0 0 32 -55,-1.5 4,-2.4 1,-0.2 5,-0.2 -0.797 61.9-162.8 -87.0 112.8 0.1 41.7 50.5 250 253 A E H > S+ 0 0 139 -2,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.910 90.2 52.5 -60.5 -42.3 -1.4 45.0 51.8 251 254 A S H > S+ 0 0 94 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.875 112.3 43.5 -61.6 -42.7 -3.8 45.1 48.8 252 255 A A H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.929 115.0 49.7 -67.5 -47.2 -5.1 41.5 49.3 253 256 A R H X S+ 0 0 73 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.900 110.2 51.6 -58.0 -44.9 -5.5 42.1 53.1 254 257 A N H X S+ 0 0 116 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.825 112.3 45.0 -63.1 -37.1 -7.3 45.4 52.4 255 258 A Y H >< S+ 0 0 77 -4,-1.4 3,-0.9 2,-0.2 4,-0.4 0.902 109.2 55.4 -75.1 -40.7 -9.8 43.7 50.0 256 259 A I H >< S+ 0 0 6 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.899 105.1 53.9 -53.8 -46.9 -10.4 40.6 52.4 257 260 A Q H 3< S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.677 95.9 67.2 -64.8 -20.2 -11.4 43.0 55.2 258 261 A S T << S+ 0 0 84 -3,-0.9 -1,-0.3 -4,-0.5 2,-0.2 0.661 84.9 93.6 -73.8 -17.8 -14.0 44.7 53.0 259 262 A L S < S- 0 0 35 -3,-1.5 2,-0.2 -4,-0.4 3,-0.1 -0.561 89.7-105.1 -83.0 140.8 -16.1 41.4 53.0 260 263 A T - 0 0 127 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.484 48.1-108.4 -62.8 123.6 -18.9 40.7 55.5 261 264 A Q - 0 0 161 -2,-0.2 -1,-0.1 -4,-0.1 -21,-0.0 -0.245 38.4-170.3 -58.5 144.4 -17.4 38.2 58.0 262 265 A M - 0 0 67 -3,-0.1 -24,-1.7 -23,-0.1 2,-0.2 -0.992 19.3-124.0-136.6 144.0 -18.7 34.7 57.9 263 266 A P - 0 0 114 0, 0.0 -26,-0.4 0, 0.0 2,-0.1 -0.566 41.0 -92.7 -85.7 158.5 -18.2 31.7 60.3 264 267 A K - 0 0 106 -28,-0.4 -28,-0.2 -2,-0.2 -29,-0.1 -0.468 48.8-117.1 -63.9 133.4 -16.8 28.4 59.0 265 268 A M - 0 0 87 -30,-2.7 2,-0.7 -31,-0.2 -1,-0.1 -0.324 28.4 -95.9 -72.9 160.7 -19.7 26.0 58.0 266 269 A N >> - 0 0 96 1,-0.2 4,-0.9 -2,-0.1 3,-0.8 -0.725 31.3-155.2 -79.5 109.9 -20.4 22.7 59.7 267 270 A F H 3> S+ 0 0 0 -2,-0.7 4,-3.1 1,-0.2 3,-0.2 0.796 91.1 61.3 -60.1 -30.5 -18.6 20.1 57.5 268 271 A A H 34 S+ 0 0 52 1,-0.2 5,-0.3 2,-0.2 -1,-0.2 0.809 106.3 46.7 -66.6 -30.7 -21.0 17.3 58.6 269 272 A N H <4 S+ 0 0 109 -3,-0.8 3,-0.4 1,-0.1 -1,-0.2 0.706 114.9 45.7 -82.3 -24.5 -23.9 19.3 57.2 270 273 A V H < S+ 0 0 57 -4,-0.9 2,-1.0 1,-0.2 -2,-0.2 0.899 115.3 46.2 -81.5 -47.4 -22.1 20.0 53.9 271 274 A F S >< S- 0 0 10 -4,-3.1 3,-1.1 -5,-0.1 2,-0.2 -0.568 86.2-168.1 -99.0 66.6 -20.9 16.4 53.4 272 275 A I T 3 - 0 0 117 -2,-1.0 -3,-0.1 -3,-0.4 3,-0.1 -0.409 68.5 -1.4 -60.7 120.2 -24.2 14.6 54.2 273 276 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.2 -5,-0.3 -4,-0.1 0.224 95.4 135.2 84.5 -10.1 -23.8 10.8 54.7 274 277 A A S < S- 0 0 27 -3,-1.1 -1,-0.3 1,-0.2 -3,-0.1 -0.298 72.9 -78.0 -68.7 153.5 -20.1 10.7 54.0 275 278 A N >> - 0 0 46 1,-0.2 4,-2.1 -3,-0.1 3,-1.1 -0.318 38.2-133.0 -52.4 122.7 -17.8 8.7 56.3 276 279 A P H 3> S+ 0 0 105 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.783 109.3 54.9 -51.8 -28.2 -17.3 10.8 59.5 277 280 A L H 3> S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.826 106.6 49.9 -71.4 -36.7 -13.5 10.0 59.2 278 281 A A H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 5,-0.2 0.957 111.3 48.9 -65.7 -49.2 -13.6 11.4 55.6 279 282 A V H X S+ 0 0 11 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.924 111.3 50.3 -53.1 -52.3 -15.4 14.6 57.0 280 283 A D H X S+ 0 0 50 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.898 111.7 47.3 -54.5 -47.4 -12.7 14.9 59.8 281 284 A L H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.897 110.6 52.8 -61.6 -42.5 -9.8 14.6 57.2 282 285 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 3,-0.3 0.865 106.5 53.1 -59.9 -39.3 -11.6 17.2 55.0 283 286 A E H < S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.869 110.4 47.3 -65.3 -37.9 -11.8 19.7 58.0 284 287 A K H < S+ 0 0 91 -4,-1.5 10,-2.1 -5,-0.2 3,-0.2 0.664 117.1 43.6 -76.5 -20.2 -8.1 19.3 58.6 285 288 A M H < S+ 0 0 0 -4,-1.1 2,-1.1 -3,-0.3 -2,-0.2 0.847 107.1 57.4 -90.1 -42.8 -7.3 19.8 54.9 286 289 A L S < S+ 0 0 1 -4,-2.7 2,-0.5 -5,-0.1 -1,-0.2 -0.443 70.5 139.2 -91.7 56.4 -9.6 22.8 54.1 287 290 A V - 0 0 38 -2,-1.1 6,-0.1 -3,-0.2 -83,-0.1 -0.927 50.6-143.0-102.6 123.4 -8.2 25.2 56.7 288 291 A L S S+ 0 0 14 -2,-0.5 2,-0.7 -52,-0.3 -99,-0.2 0.898 88.3 71.5 -52.5 -48.8 -7.9 28.7 55.3 289 292 A D S > S- 0 0 12 1,-0.2 3,-1.7 -3,-0.1 4,-0.3 -0.641 75.8-153.3 -75.8 109.6 -4.6 29.4 57.2 290 293 A S G > S+ 0 0 3 -2,-0.7 3,-1.2 1,-0.3 -1,-0.2 0.786 91.7 62.6 -53.1 -37.4 -2.0 27.3 55.4 291 294 A D G 3 S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.762 103.4 50.5 -59.5 -29.5 0.1 27.0 58.6 292 295 A K G < S+ 0 0 145 -3,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.364 86.4 109.4 -94.6 2.1 -2.8 25.1 60.3 293 296 A R S < S- 0 0 8 -3,-1.2 -8,-0.2 -4,-0.3 -9,-0.1 -0.429 77.2-102.2 -76.0 153.7 -3.4 22.5 57.6 294 297 A I - 0 0 14 -10,-2.1 2,-0.2 -13,-0.2 -1,-0.1 -0.390 37.5-124.3 -68.7 147.4 -2.6 18.8 58.1 295 298 A T > - 0 0 39 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.580 21.8-110.2 -89.4 164.8 0.7 17.7 56.3 296 299 A A H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -160,-0.2 0.922 121.2 52.2 -58.2 -42.9 0.8 14.7 53.8 297 300 A A H > S+ 0 0 48 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.882 112.3 44.0 -58.9 -45.9 2.8 12.7 56.4 298 301 A Q H 4 S+ 0 0 107 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.854 111.5 53.5 -67.9 -40.6 0.1 13.4 59.2 299 302 A A H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 6,-0.2 0.800 102.1 58.9 -67.1 -29.4 -2.8 12.7 56.8 300 303 A L H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.823 105.2 50.7 -65.8 -33.7 -1.3 9.3 55.9 301 304 A A T 3< S+ 0 0 63 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.319 87.0 117.9 -86.2 2.9 -1.5 8.3 59.7 302 305 A H S X S- 0 0 19 -3,-1.1 3,-1.6 1,-0.1 7,-0.2 -0.435 76.9-118.5 -72.6 147.5 -5.2 9.4 59.8 303 306 A A G > S+ 0 0 58 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.676 108.6 72.8 -58.4 -26.2 -7.8 6.7 60.7 304 307 A Y G 3 S+ 0 0 2 -27,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.761 103.3 42.1 -60.4 -27.8 -9.6 7.2 57.4 305 308 A F G X> S+ 0 0 0 -3,-1.6 3,-3.1 -6,-0.2 4,-2.6 0.322 75.3 120.0-101.7 3.0 -6.5 5.4 55.8 306 309 A A T <4 S+ 0 0 75 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.725 73.8 56.2 -41.0 -39.0 -6.1 2.5 58.4 307 310 A Q T 34 S+ 0 0 127 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.616 122.5 25.6 -74.0 -10.2 -6.6 -0.2 55.7 308 311 A Y T <4 S+ 0 0 62 -3,-3.1 -2,-0.2 -8,-0.1 -1,-0.2 0.618 93.7 111.3-119.3 -30.9 -3.8 1.2 53.5 309 312 A H < + 0 0 59 -4,-2.6 -8,-0.1 -7,-0.2 5,-0.0 -0.290 28.8 158.2 -59.9 131.6 -1.5 3.0 56.0 310 313 A D > - 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