==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-AUG-10 3OCG . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.SACK . 336 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 61.6 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 . 39 11.6 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 . 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 . 22 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 29.2 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+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 2 0 2 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 1 1 3 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 73 0, 0.0 4,-0.1 0, 0.0 90,-0.1 0.000 360.0 360.0 360.0-141.5 59.0 -0.3 30.8 2 5 A R + 0 0 247 2,-0.1 2,-0.0 0, 0.0 0, 0.0 0.937 360.0 55.2 -54.0 -49.4 59.5 -4.1 31.6 3 6 A P S S- 0 0 61 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.286 98.5-106.2 -79.0 167.8 58.4 -5.1 28.0 4 7 A T - 0 0 101 -2,-0.0 15,-1.8 2,-0.0 2,-0.3 -0.842 35.6-147.3 -93.3 125.7 60.2 -3.8 24.9 5 8 A F E -A 18 0A 33 -2,-0.6 2,-0.4 13,-0.2 11,-0.0 -0.727 9.3-159.4 -93.0 146.8 58.0 -1.2 23.1 6 9 A Y E -A 17 0A 48 11,-2.7 11,-1.7 -2,-0.3 2,-0.3 -0.976 9.0-138.1-127.1 141.6 58.0 -0.7 19.3 7 10 A R E +A 16 0A 166 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.718 28.2 154.7 -98.2 148.6 56.8 2.3 17.3 8 11 A Q E -A 15 0A 60 7,-1.8 7,-3.2 -2,-0.3 2,-0.7 -0.954 41.7-110.2-161.1 160.2 54.8 2.5 14.1 9 12 A E E +A 14 0A 151 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.895 34.6 177.9-104.8 112.1 52.4 4.9 12.3 10 13 A L E > -A 13 0A 20 3,-2.5 3,-1.3 -2,-0.7 2,-0.3 -0.980 64.4 -23.7-117.9 127.9 48.8 3.8 12.2 11 14 A N T 3 S- 0 0 97 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.617 126.1 -39.2 70.8-125.0 46.2 6.1 10.7 12 15 A K T 3 S+ 0 0 218 -2,-0.3 2,-0.3 2,-0.1 -1,-0.2 -0.091 125.8 83.7-115.8 29.4 47.7 9.6 10.9 13 16 A T E < S-A 10 0A 45 -3,-1.3 -3,-2.5 2,-0.0 2,-0.4 -0.959 79.5-110.3-138.6 153.3 49.1 8.8 14.4 14 17 A I E -A 9 0A 82 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.672 28.4-163.4 -82.3 120.5 52.1 7.2 16.2 15 18 A W E -A 8 0A 0 -7,-3.2 -7,-1.8 -2,-0.4 2,-0.4 -0.952 7.1-176.0-109.2 128.9 51.4 3.9 18.1 16 19 A E E +A 7 0A 63 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.914 20.9 153.2-130.0 99.4 53.9 2.6 20.7 17 20 A V E -A 6 0A 0 -11,-1.7 -11,-2.7 -2,-0.4 -2,-0.0 -0.850 45.9 -85.8-123.8 160.1 53.0 -0.8 22.1 18 21 A P E > -A 5 0A 4 0, 0.0 3,-1.5 0, 0.0 -13,-0.2 -0.195 41.6-107.8 -63.5 161.5 54.8 -3.8 23.6 19 22 A E T 3 S+ 0 0 96 -15,-1.8 -14,-0.1 1,-0.3 22,-0.1 0.688 112.7 71.3 -61.5 -24.8 56.4 -6.6 21.4 20 23 A R T 3 S+ 0 0 69 -16,-0.1 21,-4.0 1,-0.1 2,-0.7 0.740 86.7 74.7 -65.0 -23.6 53.6 -9.2 22.5 21 24 A Y E < S+B 40 0B 2 -3,-1.5 2,-0.3 19,-0.2 19,-0.2 -0.849 71.3 173.1 -99.4 110.6 51.1 -7.2 20.4 22 25 A Q E +B 39 0B 61 17,-2.5 17,-2.6 -2,-0.7 -2,-0.0 -0.773 45.7 20.8-120.6 160.3 51.7 -7.9 16.7 23 26 A N E S- 0 0 123 -2,-0.3 -1,-0.2 15,-0.2 2,-0.1 0.806 71.8-161.6 53.2 44.4 50.1 -7.1 13.3 24 27 A L E + 0 0 12 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.327 13.2 178.3 -57.1 123.5 48.1 -4.0 14.5 25 28 A S E -B 37 0B 59 12,-2.6 12,-3.4 -2,-0.1 -15,-0.0 -0.997 30.2-109.2-132.2 127.2 45.3 -3.2 12.0 26 29 A P E +B 36 0B 67 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.148 32.8 172.2 -56.4 148.1 42.7 -0.4 12.3 27 30 A V E - 0 0 97 8,-2.3 2,-0.3 1,-0.4 9,-0.1 0.655 54.6 -67.3-115.7 -60.0 39.1 -1.3 13.1 28 31 A G E -B 35 0B 38 7,-0.9 7,-2.5 5,-0.1 -1,-0.4 -0.960 39.8-155.5-178.5-173.5 37.5 2.2 13.7 29 32 A S - 0 0 105 -2,-0.3 5,-0.1 5,-0.2 2,-0.1 -0.614 8.9-167.7-153.1-150.3 37.1 5.3 15.9 30 33 A G - 0 0 68 -2,-0.2 4,-0.1 0, 0.0 -1,-0.1 -0.360 68.8 -57.3-176.3 -89.9 34.8 8.2 17.0 31 34 A A S S+ 0 0 64 2,-0.1 3,-0.0 -2,-0.1 -2,-0.0 0.182 125.3 54.5-160.7 6.7 36.2 11.2 19.0 32 35 A Y S S- 0 0 117 1,-0.1 21,-1.9 20,-0.0 2,-0.1 0.609 117.1 -22.4-123.6 -23.7 37.7 9.4 22.1 33 36 A G - 0 0 11 19,-0.3 19,-0.2 2,-0.0 -1,-0.1 -0.345 53.2-131.7 166.0 112.5 40.1 6.7 20.9 34 37 A S - 0 0 25 17,-0.3 17,-2.0 -2,-0.1 2,-0.4 -0.334 27.2-139.9 -71.3 148.3 40.7 4.6 17.7 35 38 A V E -BC 28 50B 41 -7,-2.5 -8,-2.3 15,-0.2 -7,-0.9 -0.903 10.1-158.4-115.2 141.8 41.1 0.8 18.0 36 39 A C E -BC 26 49B 0 13,-2.8 13,-3.3 -2,-0.4 2,-0.3 -0.942 19.8-128.6-115.9 142.5 43.4 -1.7 16.3 37 40 A A E +BC 25 48B 15 -12,-3.4 -12,-2.6 -2,-0.4 2,-0.3 -0.677 42.1 174.2 -82.5 135.7 42.9 -5.4 16.0 38 41 A A E - C 0 47B 4 9,-2.9 9,-2.9 -2,-0.3 2,-0.5 -0.939 33.5-118.1-142.1 168.9 46.0 -7.1 17.1 39 42 A F E -BC 22 46B 78 -17,-2.6 -17,-2.5 -2,-0.3 2,-0.8 -0.958 23.1-139.6-114.3 121.1 47.6 -10.6 17.9 40 43 A D E > -B 21 0B 6 5,-3.8 4,-2.3 -2,-0.5 5,-0.3 -0.741 10.1-164.7 -81.8 109.6 48.7 -11.3 21.4 41 44 A T T 4 S+ 0 0 88 -21,-4.0 -1,-0.2 -2,-0.8 -20,-0.1 0.920 88.1 52.4 -59.3 -43.5 52.0 -13.3 21.2 42 45 A K T 4 S+ 0 0 162 1,-0.2 -1,-0.2 -22,-0.1 -21,-0.1 0.839 124.0 23.9 -62.5 -40.7 51.7 -14.4 24.9 43 46 A T T 4 S- 0 0 78 2,-0.2 -1,-0.2 -23,-0.1 -2,-0.2 0.586 94.7-127.9-104.5 -14.6 48.2 -15.8 24.6 44 47 A G < + 0 0 44 -4,-2.3 2,-0.2 1,-0.3 -3,-0.1 0.506 69.7 125.9 76.1 7.3 47.9 -16.6 20.9 45 48 A L - 0 0 91 -5,-0.3 -5,-3.8 -6,-0.0 2,-0.4 -0.620 67.0-113.8 -99.6 154.9 44.7 -14.7 20.9 46 49 A R E -C 39 0B 183 -7,-0.2 59,-1.2 -2,-0.2 2,-0.3 -0.711 40.5-171.4 -83.9 131.9 43.4 -11.7 18.8 47 50 A V E -CD 38 104B 1 -9,-2.9 -9,-2.9 -2,-0.4 2,-0.5 -0.823 25.2-126.6-121.9 162.7 42.9 -8.6 20.9 48 51 A A E -CD 37 103B 12 55,-2.6 55,-2.2 -2,-0.3 2,-0.5 -0.961 26.5-163.2-107.6 126.6 41.4 -5.1 20.4 49 52 A V E -CD 36 102B 0 -13,-3.3 -13,-2.8 -2,-0.5 2,-0.5 -0.969 1.8-164.2-114.8 123.9 43.9 -2.3 21.4 50 53 A K E -CD 35 101B 34 51,-3.3 51,-2.5 -2,-0.5 2,-0.6 -0.928 7.4-159.4-111.7 126.1 42.6 1.2 22.0 51 54 A K E - D 0 100B 23 -17,-2.0 -17,-0.3 -2,-0.5 49,-0.2 -0.907 26.5-127.0 -97.8 118.0 44.9 4.2 22.1 52 55 A L - 0 0 6 47,-2.4 2,-0.6 -2,-0.6 47,-0.3 -0.449 24.3-119.9 -65.3 136.8 43.1 7.0 24.0 53 56 A S S S- 0 0 45 -21,-1.9 -1,-0.1 1,-0.2 45,-0.0 -0.746 79.6 -29.9 -85.9 117.1 43.1 10.2 21.9 54 57 A R S > S- 0 0 162 -2,-0.6 3,-1.4 1,-0.1 4,-0.3 0.896 77.3-173.3 41.4 59.4 44.9 13.2 23.6 55 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.805 76.5 25.3 -52.5 -34.6 44.0 11.7 27.0 56 59 A F T 3 S+ 0 0 13 41,-0.4 -2,-0.1 1,-0.1 267,-0.1 -0.077 89.8 100.4-123.9 31.8 45.3 14.7 29.1 57 60 A Q S < S+ 0 0 143 -3,-1.4 2,-0.3 1,-0.1 -1,-0.1 0.522 90.8 24.6 -93.1 -6.9 45.1 17.6 26.6 58 61 A S S > S- 0 0 45 -4,-0.3 4,-2.2 -3,-0.2 5,-0.1 -0.956 77.6-115.9-150.2 160.2 41.8 19.0 28.2 59 62 A I H > S+ 0 0 104 -2,-0.3 4,-1.6 2,-0.2 5,-0.2 0.874 117.8 50.3 -66.7 -39.1 39.9 18.9 31.5 60 63 A I H > S+ 0 0 124 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.900 114.6 43.8 -66.3 -40.9 37.0 17.0 29.9 61 64 A H H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.847 110.3 54.7 -68.6 -42.5 39.4 14.4 28.4 62 65 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.890 113.7 40.4 -61.5 -44.0 41.6 14.0 31.5 63 66 A K H X S+ 0 0 34 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.803 114.1 55.1 -73.7 -35.4 38.5 13.1 33.7 64 67 A R H X S+ 0 0 35 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.804 105.8 52.2 -64.4 -37.8 37.1 10.9 30.8 65 68 A T H X S+ 0 0 7 -4,-2.1 4,-2.0 -10,-0.4 -2,-0.2 0.911 112.9 44.0 -64.9 -46.8 40.3 8.9 30.7 66 69 A Y H X S+ 0 0 18 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.975 113.4 51.5 -61.1 -54.4 40.1 8.3 34.5 67 70 A R H X S+ 0 0 33 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.887 110.7 48.3 -45.6 -58.2 36.3 7.4 34.2 68 71 A E H X S+ 0 0 25 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.889 113.6 45.3 -55.3 -47.1 36.9 4.9 31.4 69 72 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.889 114.1 49.1 -68.2 -35.7 39.8 3.1 33.2 70 73 A R H X S+ 0 0 33 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.907 112.5 48.8 -66.3 -44.0 37.8 3.0 36.5 71 74 A L H X S+ 0 0 9 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.905 114.5 45.8 -58.1 -47.8 34.7 1.6 34.6 72 75 A L H < S+ 0 0 14 -4,-2.3 11,-0.8 1,-0.2 -2,-0.2 0.857 112.1 49.0 -67.2 -41.8 36.9 -1.0 32.9 73 76 A K H < S+ 0 0 45 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.805 114.7 46.9 -69.8 -31.4 38.8 -2.2 36.0 74 77 A H H < S+ 0 0 35 -4,-1.7 2,-0.6 -5,-0.2 232,-0.2 0.875 90.6 84.8 -78.9 -44.1 35.5 -2.5 38.0 75 78 A M < + 0 0 2 -4,-1.8 2,-0.5 -5,-0.1 8,-0.3 -0.556 43.7 169.3 -74.5 115.1 33.2 -4.5 35.7 76 79 A K + 0 0 123 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.882 29.8 122.7-124.6 89.0 33.6 -8.3 35.8 77 80 A H > - 0 0 21 -2,-0.5 3,-1.2 3,-0.4 57,-0.1 -0.981 64.4-123.5-149.6 148.3 30.6 -9.8 33.9 78 81 A E T 3 S+ 0 0 93 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.774 112.4 43.5 -61.2 -37.8 30.2 -12.2 30.9 79 82 A N T 3 S+ 0 0 0 83,-0.1 84,-1.9 51,-0.1 2,-0.4 0.151 102.9 79.4 -96.4 14.6 28.1 -9.7 28.9 80 83 A V B < S-f 163 0C 2 -3,-1.2 -3,-0.4 82,-0.3 84,-0.2 -0.991 89.8-107.1-126.9 128.1 30.2 -6.7 29.7 81 84 A I - 0 0 9 82,-2.7 2,-0.3 -2,-0.4 -6,-0.1 -0.274 42.3-154.4 -53.2 139.2 33.5 -5.8 27.9 82 85 A G - 0 0 23 -4,-0.1 2,-0.5 -6,-0.1 22,-0.4 -0.887 15.2-111.6-124.8 152.3 36.5 -6.5 30.2 83 86 A L + 0 0 5 -11,-0.8 20,-0.2 -2,-0.3 3,-0.1 -0.691 28.5 171.7 -84.8 123.0 40.0 -5.2 30.5 84 87 A L S S- 0 0 39 18,-3.0 2,-0.3 -2,-0.5 19,-0.2 0.797 71.5 -6.3 -92.7 -40.5 42.8 -7.7 29.7 85 88 A D E -E 102 0B 30 17,-1.5 17,-3.1 250,-0.1 -1,-0.4 -0.977 50.6-164.4-156.6 155.5 45.7 -5.1 29.9 86 89 A V E +E 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.967 26.6 162.2-145.8 126.6 46.4 -1.4 30.3 87 90 A F E -E 100 0B 11 13,-1.9 13,-2.2 -2,-0.3 -2,-0.0 -0.954 25.7-161.0-146.1 168.8 49.8 0.1 29.4 88 91 A T - 0 0 0 -2,-0.3 11,-0.1 2,-0.2 -71,-0.1 -0.982 26.0-135.5-148.0 139.7 51.9 3.2 28.7 89 92 A P S S+ 0 0 25 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.727 78.9 107.6 -67.1 -20.6 55.4 3.5 27.0 90 93 A A - 0 0 4 8,-0.3 -2,-0.2 1,-0.1 3,-0.1 -0.251 56.8-161.9 -59.0 139.8 56.1 6.1 29.8 91 94 A R S S+ 0 0 147 1,-0.1 2,-0.3 -90,-0.1 -1,-0.1 0.581 74.3 21.4-101.1 -10.4 58.5 5.1 32.6 92 95 A S S S- 0 0 39 1,-0.0 4,-0.5 0, 0.0 3,-0.4 -0.916 83.0-101.9-147.5 171.1 57.4 7.8 35.0 93 96 A L S S+ 0 0 63 -2,-0.3 3,-0.3 1,-0.2 234,-0.1 0.770 116.0 60.1 -66.9 -29.3 54.5 10.2 35.8 94 97 A E S S+ 0 0 183 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.834 110.8 38.9 -69.9 -35.1 56.3 13.2 34.2 95 98 A E S S+ 0 0 111 -3,-0.4 2,-0.6 2,-0.0 -1,-0.2 0.448 88.6 121.2 -93.2 -0.9 56.5 11.5 30.8 96 99 A F + 0 0 0 -4,-0.5 3,-0.1 -3,-0.3 231,-0.1 -0.512 18.5 124.7 -69.7 109.0 53.0 10.0 31.1 97 100 A N + 0 0 81 -2,-0.6 -41,-0.4 1,-0.2 2,-0.4 0.343 57.2 66.0-144.1 -1.8 50.8 11.3 28.2 98 101 A D - 0 0 55 -3,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.987 51.9-170.5-136.6 138.9 49.5 8.1 26.6 99 102 A V - 0 0 0 -2,-0.4 -47,-2.4 -47,-0.3 2,-0.4 -0.994 3.5-167.9-129.8 131.9 47.1 5.3 27.7 100 103 A Y E -DE 51 87B 2 -13,-2.2 -13,-1.9 -2,-0.4 2,-0.4 -0.982 4.5-162.1-123.6 131.4 46.5 2.0 25.9 101 104 A L E -DE 50 86B 5 -51,-2.5 -51,-3.3 -2,-0.4 2,-0.4 -0.962 3.5-158.7-119.0 134.7 43.6 -0.3 26.8 102 105 A V E +DE 49 85B 1 -17,-3.1 -18,-3.0 -2,-0.4 -17,-1.5 -0.958 21.2 153.3-119.2 127.4 43.4 -4.0 25.7 103 106 A T E -D 48 0B 25 -55,-2.2 -55,-2.6 -2,-0.4 -20,-0.1 -0.713 51.6 -70.2-132.0-177.4 40.2 -6.1 25.5 104 107 A H E -D 47 0B 67 -22,-0.4 2,-0.6 -57,-0.2 -57,-0.2 -0.409 48.7-116.8 -74.0 156.6 39.1 -9.2 23.4 105 108 A L - 0 0 43 -59,-1.2 2,-0.2 -67,-0.1 -59,-0.1 -0.870 31.2-148.2 -97.4 119.9 38.5 -8.6 19.7 106 109 A M - 0 0 28 -2,-0.6 50,-0.2 1,-0.1 3,-0.1 -0.535 10.3-132.8 -87.1 159.9 34.9 -9.3 18.9 107 110 A G S S- 0 0 59 48,-1.3 2,-0.3 1,-0.3 49,-0.2 0.868 74.6 -14.5 -78.5 -43.9 33.7 -10.7 15.6 108 111 A A E -G 155 0C 17 47,-2.0 47,-3.5 4,-0.0 -1,-0.3 -0.991 56.2-125.3-159.0 158.8 30.8 -8.4 14.7 109 112 A D E > -G 154 0C 53 -2,-0.3 4,-1.3 45,-0.3 3,-0.4 -0.501 42.3 -96.6-100.4 173.6 28.4 -5.7 16.1 110 113 A L H > S+ 0 0 2 40,-2.0 4,-1.5 43,-1.6 41,-0.2 0.670 120.0 61.2 -69.7 -16.4 24.6 -5.7 15.9 111 114 A N H > S+ 0 0 69 39,-0.5 4,-1.0 42,-0.2 -1,-0.2 0.929 103.9 51.2 -72.2 -40.8 24.5 -3.5 12.8 112 115 A N H >> S+ 0 0 84 -3,-0.4 4,-1.7 2,-0.2 3,-0.5 0.895 108.5 50.5 -58.1 -49.9 26.4 -6.2 10.8 113 116 A I H 3< S+ 0 0 2 -4,-1.3 4,-0.5 1,-0.2 -1,-0.2 0.935 109.6 48.7 -57.2 -54.0 24.1 -9.1 11.9 114 117 A V H 3< S+ 0 0 18 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.664 110.6 52.8 -62.9 -21.0 20.8 -7.2 10.9 115 118 A K H << S+ 0 0 194 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.929 116.5 35.6 -78.0 -50.2 22.3 -6.3 7.4 116 119 A C S < S+ 0 0 97 -4,-1.7 2,-0.3 -3,-0.1 -2,-0.2 0.245 124.6 35.7 -86.7 5.3 23.3 -9.9 6.3 117 120 A Q - 0 0 76 -4,-0.5 2,-0.4 -5,-0.1 0, 0.0 -0.980 58.0-138.2-157.3 166.7 20.3 -11.6 8.0 118 121 A K - 0 0 191 -2,-0.3 84,-0.1 84,-0.0 83,-0.1 -0.955 48.9-133.8-127.2 94.7 16.6 -11.7 9.1 119 122 A L - 0 0 20 82,-0.5 2,-0.1 -2,-0.4 -2,-0.0 -0.132 8.1-128.1 -60.2 153.5 17.0 -13.2 12.7 120 123 A T > - 0 0 91 1,-0.1 4,-2.3 0, 0.0 5,-0.1 -0.430 29.3-103.9 -91.6 170.6 14.9 -16.0 14.2 121 124 A D H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.888 121.6 47.8 -68.3 -39.3 13.1 -15.8 17.5 122 125 A D H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.866 111.2 53.7 -66.5 -35.2 15.5 -17.9 19.5 123 126 A H H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.968 111.8 44.0 -60.0 -54.2 18.3 -15.7 18.0 124 127 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.911 112.6 53.7 -54.7 -49.7 16.6 -12.5 19.2 125 128 A Q H X S+ 0 0 16 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.860 110.9 44.4 -54.0 -51.1 15.9 -14.1 22.7 126 129 A F H X S+ 0 0 56 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.856 116.7 46.5 -63.8 -40.5 19.5 -15.0 23.3 127 130 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.978 118.4 40.6 -68.1 -54.8 20.8 -11.6 22.1 128 131 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.907 113.3 54.6 -60.5 -43.4 18.3 -9.5 24.1 129 132 A Y H X S+ 0 0 14 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.902 110.2 47.1 -55.9 -45.9 18.6 -11.8 27.1 130 133 A Q H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.903 110.8 50.4 -62.7 -46.2 22.4 -11.2 27.1 131 134 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.949 114.4 46.2 -56.6 -48.5 22.1 -7.4 26.7 132 135 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.837 109.2 53.6 -64.3 -37.6 19.6 -7.4 29.7 133 136 A R H X S+ 0 0 15 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.867 112.8 45.2 -64.3 -38.2 21.8 -9.7 31.8 134 137 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.885 111.5 51.0 -73.5 -41.3 24.7 -7.2 31.2 135 138 A L H X S+ 0 0 0 -4,-2.5 4,-3.6 2,-0.2 5,-0.2 0.855 105.2 56.5 -65.2 -36.4 22.5 -4.1 31.9 136 139 A K H X S+ 0 0 46 -4,-2.1 4,-1.8 1,-0.2 169,-0.2 0.954 111.9 43.7 -58.6 -49.5 21.3 -5.6 35.3 137 140 A Y H X S+ 0 0 11 -4,-1.4 4,-1.0 2,-0.2 168,-0.5 0.914 117.3 45.5 -58.7 -49.7 24.9 -5.9 36.3 138 141 A I H ><>S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 5,-1.1 0.973 114.2 48.4 -59.6 -53.0 25.8 -2.4 35.0 139 142 A H H ><5S+ 0 0 15 -4,-3.6 3,-1.3 1,-0.3 -1,-0.2 0.769 104.3 61.0 -57.4 -31.2 22.7 -0.8 36.6 140 143 A S H 3<5S+ 0 0 52 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.783 100.2 53.3 -71.8 -25.0 23.4 -2.5 39.9 141 144 A A T <<5S- 0 0 6 -3,-1.2 -1,-0.3 -4,-1.0 167,-0.2 0.395 124.6-108.5 -83.3 2.0 26.8 -0.6 40.2 142 145 A D T < 5S+ 0 0 118 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.887 77.5 131.7 68.2 45.3 24.6 2.6 39.6 143 146 A I < - 0 0 9 -5,-1.1 2,-0.4 44,-0.0 -1,-0.3 -0.979 43.1-156.9-124.9 136.2 25.9 3.2 36.0 144 147 A I - 0 0 43 -2,-0.4 44,-0.1 1,-0.2 43,-0.0 -0.936 13.9-145.5-110.3 136.3 23.6 3.9 33.1 145 148 A H - 0 0 2 -2,-0.4 -1,-0.2 42,-0.2 23,-0.1 0.971 25.9-176.4 -63.6 -51.3 25.0 3.1 29.6 146 149 A R S S+ 0 0 69 41,-0.2 -1,-0.1 1,-0.1 29,-0.1 0.013 71.6 52.7 77.0 -20.9 23.1 6.2 28.2 147 150 A D S S+ 0 0 51 19,-0.3 2,-0.2 18,-0.2 18,-0.1 -0.161 70.2 161.4-133.8 42.3 24.2 5.5 24.6 148 151 A L + 0 0 1 25,-0.1 25,-0.1 3,-0.1 15,-0.0 -0.468 16.8 142.5 -66.1 129.4 23.2 1.9 24.0 149 152 A K > - 0 0 41 -2,-0.2 3,-1.9 23,-0.0 4,-0.3 -0.957 65.6 -90.3-161.5 164.7 23.0 1.1 20.3 150 153 A P G > S+ 0 0 5 0, 0.0 -40,-2.0 0, 0.0 3,-0.8 0.768 119.0 62.7 -59.2 -24.0 23.9 -1.8 17.8 151 154 A S G 3 S+ 0 0 49 1,-0.2 -3,-0.1 -42,-0.2 3,-0.0 0.562 105.7 43.8 -75.7 -12.9 27.4 -0.4 17.3 152 155 A N G < S+ 0 0 3 -3,-1.9 12,-3.5 -5,-0.1 2,-0.6 0.247 97.1 83.9-116.6 15.8 28.4 -0.9 21.0 153 156 A L E < - H 0 163C 0 -3,-0.8 -43,-1.6 -4,-0.3 2,-0.4 -0.969 65.9-177.4-117.2 105.5 26.8 -4.4 21.3 154 157 A A E -GH 109 162C 6 8,-2.8 8,-3.0 -2,-0.6 2,-0.3 -0.904 15.1-154.7-120.4 146.2 29.3 -6.9 20.0 155 158 A V E -GH 108 161C 0 -47,-3.5 -47,-2.0 -2,-0.4 -48,-1.3 -0.901 16.2-154.3-120.6 142.2 29.3 -10.7 19.4 156 159 A N E >> - H 0 160C 66 4,-2.5 4,-1.0 -2,-0.3 3,-0.7 -0.882 52.9-116.3-110.9 79.0 32.0 -13.3 19.3 157 160 A E T 34 S+ 0 0 94 -2,-0.8 2,-0.2 1,-0.4 -2,-0.0 -0.567 109.0 86.3 -65.7 122.0 29.9 -15.6 17.1 158 161 A D T 34 S- 0 0 154 -2,-0.4 -1,-0.4 0, 0.0 -3,-0.0 0.175 124.4 -94.6 31.2-117.0 29.1 -18.4 18.4 159 162 A C T <4 S+ 0 0 36 -3,-0.7 2,-0.5 -2,-0.2 -2,-0.2 0.038 77.9 144.1-176.6 20.8 26.5 -15.6 19.5 160 163 A E E < - H 0 156C 72 -4,-1.0 -4,-2.5 1,-0.0 2,-0.2 -0.669 37.6-148.3 -81.6 120.0 28.1 -14.6 22.9 161 164 A L E - H 0 155C 0 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.655 17.6-169.4 -99.0 147.4 27.6 -10.8 23.4 162 165 A K E - H 0 154C 34 -8,-3.0 -8,-2.8 -2,-0.2 2,-0.4 -0.994 20.2-134.7-136.6 133.2 29.5 -8.0 25.1 163 166 A I E -fH 80 153C 0 -84,-1.9 -82,-2.7 -2,-0.3 -10,-0.2 -0.776 27.3-169.9 -83.6 131.3 28.3 -4.4 25.9 164 167 A L + 0 0 48 -12,-3.5 2,-0.9 -2,-0.4 -1,-0.1 0.964 58.0 25.4 -93.6 -75.6 31.1 -1.9 25.0 165 168 A D S > S+ 0 0 83 1,-0.2 3,-0.5 -13,-0.2 -18,-0.2 -0.442 71.7 155.9-102.1 63.2 31.1 1.8 25.8 166 169 A F T 3 + 0 0 6 -2,-0.9 -19,-0.3 1,-0.2 -1,-0.2 0.960 60.9 24.3 -58.6 -80.7 28.9 2.0 28.9 167 170 A G T 3 0 0 14 1,-0.2 -1,-0.2 -99,-0.1 -22,-0.1 0.239 360.0 360.0 -84.4 26.2 29.4 4.9 31.3 168 171 A L < 0 0 102 -3,-0.5 -1,-0.2 -23,-0.1 -22,-0.0 -0.798 360.0 360.0 87.6 360.0 30.9 7.5 28.9 169 ! 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 0.0 170 185 A T 0 0 86 0, 0.0 -21,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.7 23.7 8.2 17.1 171 186 A R > + 0 0 108 41,-0.0 3,-1.1 45,-0.0 41,-0.0 0.222 360.0 83.4-164.9 -32.8 20.0 9.4 17.6 172 187 A W T 3 S+ 0 0 95 1,-0.2 36,-0.4 38,-0.1 35,-0.1 0.562 95.3 42.0 -64.6 -19.1 17.7 6.4 16.7 173 188 A Y T 3 S+ 0 0 20 34,-0.1 2,-0.3 -25,-0.1 -1,-0.2 0.231 84.7 123.6-116.8 10.1 17.9 4.5 20.0 174 189 A R < - 0 0 65 -3,-1.1 5,-0.1 1,-0.1 16,-0.1 -0.592 66.4-109.9 -82.2 135.9 17.6 7.4 22.5 175 190 A A >> - 0 0 0 -2,-0.3 4,-0.6 14,-0.3 3,-0.6 -0.212 25.3-126.6 -57.7 138.3 14.9 7.6 25.2 176 191 A P H >> S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 3,-0.7 0.840 108.8 58.7 -61.2 -29.5 12.3 10.5 24.5 177 192 A E H 34 S+ 0 0 4 1,-0.2 6,-0.9 2,-0.2 7,-0.1 0.844 108.2 44.7 -67.2 -32.9 12.9 12.0 28.0 178 193 A I H <4 S+ 0 0 19 -3,-0.6 3,-0.3 4,-0.2 4,-0.3 0.510 110.6 58.2 -88.1 -2.3 16.6 12.4 27.2 179 194 A M H << S+ 0 0 25 -3,-0.7 2,-0.8 -4,-0.6 -2,-0.2 0.907 108.0 41.7 -86.0 -55.7 15.7 13.8 23.7 180 195 A L S < S- 0 0 27 -4,-2.0 3,-0.2 1,-0.1 -1,-0.2 -0.434 136.3 -63.7 -97.0 60.2 13.5 16.8 24.8 181 196 A N S S- 0 0 104 -2,-0.8 2,-0.5 -3,-0.3 -1,-0.1 0.969 72.6 -75.6 55.9 100.4 15.7 18.0 27.8 182 197 A W - 0 0 159 -4,-0.3 2,-3.1 1,-0.2 3,-0.2 0.223 50.6-175.5 -15.5 60.8 16.1 15.5 30.7 183 198 A M S S- 0 0 26 -6,-0.9 -1,-0.2 -2,-0.5 53,-0.1 -0.063 72.8 -50.3 -64.6 41.4 12.6 16.0 32.2 184 199 A H S S- 0 0 116 -2,-3.1 2,-0.3 -7,-0.1 -1,-0.2 0.519 77.0-161.9 84.8 129.7 13.8 13.6 35.1 185 200 A Y - 0 0 73 -3,-0.2 2,-0.2 93,-0.0 -1,-0.1 -0.989 16.8-173.7-145.6 154.2 15.4 10.2 34.3 186 201 A N > - 0 0 44 -2,-0.3 3,-1.0 92,-0.0 4,-0.1 -0.516 53.0 -75.0-124.7-168.6 16.3 6.7 35.6 187 202 A Q T > S+ 0 0 56 1,-0.2 3,-2.2 -2,-0.2 4,-0.4 0.751 112.8 80.5 -66.7 -24.2 18.2 3.6 34.4 188 203 A T T 3> + 0 0 7 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.437 66.9 88.1 -66.2 -1.0 15.3 2.5 32.0 189 204 A V H <> S+ 0 0 1 -3,-1.0 4,-1.0 1,-0.2 -14,-0.3 0.902 91.0 46.8 -62.1 -36.9 16.7 5.1 29.6 190 205 A D H <> S+ 0 0 0 -3,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.802 105.8 60.0 -71.9 -32.6 18.8 2.0 28.5 191 206 A I H > S+ 0 0 0 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.868 100.4 53.9 -65.5 -39.3 15.6 -0.2 28.4 192 207 A W H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.898 109.3 49.3 -57.7 -44.1 14.1 2.2 25.8 193 208 A S H X S+ 0 0 4 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.889 108.5 51.9 -63.6 -41.3 17.3 1.5 23.7 194 209 A V H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.877 108.4 52.9 -60.1 -41.7 17.0 -2.3 24.2 195 210 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.904 110.0 46.9 -60.2 -45.6 13.4 -1.9 22.9 196 211 A C H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 11,-0.4 0.855 115.0 46.4 -63.8 -40.7 14.5 -0.1 19.8 197 212 A I H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.926 112.9 49.6 -68.3 -48.3 17.3 -2.7 19.2 198 213 A M H X S+ 0 0 0 -4,-3.1 4,-1.7 2,-0.2 -2,-0.2 0.867 110.0 50.0 -58.3 -45.6 14.9 -5.7 19.8 199 214 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 6,-0.3 0.903 112.0 48.5 -62.1 -42.8 12.3 -4.3 17.4 200 215 A E H X S+ 0 0 13 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.838 110.0 52.3 -66.4 -34.7 15.0 -3.8 14.7 201 216 A L H < S+ 0 0 6 -4,-2.2 -82,-0.5 1,-0.2 -1,-0.2 0.830 113.6 44.3 -67.5 -34.6 16.3 -7.4 15.3 202 217 A L H < S+ 0 0 44 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.782 126.9 27.5 -81.6 -32.2 12.7 -8.8 14.8 203 218 A T H < S- 0 0 71 -4,-1.9 -2,-0.2 2,-0.3 -3,-0.2 0.596 93.4-129.0-104.2 -21.6 11.8 -6.7 11.7 204 219 A G S < S+ 0 0 30 -4,-2.2 2,-0.3 -5,-0.2 -4,-0.1 0.397 79.6 95.0 83.1 -1.6 15.2 -6.1 10.1 205 220 A R S S- 0 0 200 -6,-0.3 -2,-0.3 -5,-0.1 -1,-0.2 -0.915 86.3 -98.2-120.7 149.3 14.4 -2.3 9.9 206 221 A T - 0 0 37 -2,-0.3 -9,-0.1 1,-0.1 -33,-0.0 -0.410 28.6-141.8 -63.3 132.4 15.2 0.7 12.3 207 222 A L S S+ 0 0 38 -11,-0.4 -1,-0.1 1,-0.3 -34,-0.1 0.946 90.3 12.4 -65.1 -48.8 12.2 1.4 14.6 208 223 A F - 0 0 6 -36,-0.4 2,-1.8 2,-0.1 -1,-0.3 -0.727 67.0-179.3-131.5 82.6 12.6 5.2 14.5 209 224 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 -37,-0.0 -0.472 20.1-170.0 -83.3 72.5 15.1 6.5 11.8 210 225 A G - 0 0 6 -2,-1.8 6,-0.1 1,-0.1 -38,-0.1 -0.432 24.6-153.5 -69.7 132.4 14.7 10.3 12.6 211 226 A T S S- 0 0 122 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.558 81.7 -4.4 -78.3 -16.4 16.3 12.8 10.1 212 227 A D S > S- 0 0 87 -41,-0.0 4,-2.4 1,-0.0 5,-0.1 -0.936 87.4 -84.6-164.8 173.1 16.7 15.4 13.0 213 228 A H H > S+ 0 0 97 -2,-0.3 4,-0.9 2,-0.2 -3,-0.0 0.711 127.0 44.2 -62.9 -24.0 15.8 15.8 16.7 214 229 A I H > S+ 0 0 92 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.864 113.9 49.0 -86.1 -43.2 12.2 17.0 16.0 215 230 A D H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.863 108.1 56.8 -63.1 -32.6 11.6 14.4 13.3 216 231 A Q H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.926 107.6 47.0 -61.7 -47.7 12.8 11.7 15.9 217 232 A L H X S+ 0 0 8 -4,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.851 109.6 53.8 -61.7 -41.6 10.2 12.8 18.4 218 233 A K H X S+ 0 0 96 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.913 110.3 47.5 -59.7 -45.2 7.5 12.8 15.7 219 234 A L H X S+ 0 0 37 -4,-2.1 4,-1.0 2,-0.2 3,-0.3 0.921 112.4 48.4 -64.6 -44.0 8.4 9.2 14.8 220 235 A I H >X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-0.6 0.926 111.5 50.4 -59.3 -50.7 8.5 8.0 18.5 221 236 A L H 3X S+ 0 0 13 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.706 99.7 63.2 -66.2 -25.0 5.1 9.6 19.2 222 237 A R H 3< S+ 0 0 120 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.868 115.8 32.0 -67.3 -36.8 3.3 8.0 16.2 223 238 A L H << S+ 0 0 11 -4,-1.0 30,-2.5 -3,-0.6 -2,-0.2 0.906 130.8 32.2 -83.9 -49.6 3.9 4.6 17.8 224 239 A V H < S- 0 0 12 -4,-2.5 28,-0.3 28,-0.2 52,-0.3 0.544 108.4-125.5 -89.1 -10.0 3.8 5.3 21.5 225 240 A G < - 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