==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-SEP-09 3IW8 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GRUETTER,J.R.SIMARD,D.RAUH . 334 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 63.2 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 . 40 12.0 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 . 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 . 23 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 28.7 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 2 2 0 0 1 0 1 0 1 0 1 0 2 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 0 2 0 2 1 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 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 0 252 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-135.7 42.5 16.8 28.4 2 5 A R - 0 0 92 1,-0.1 3,-0.0 88,-0.0 88,-0.0 -0.566 360.0-116.0 -65.6 130.3 42.3 14.1 25.7 3 6 A P - 0 0 62 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.281 27.0-103.2 -65.3 156.5 41.7 10.8 27.5 4 7 A T - 0 0 87 1,-0.0 15,-2.1 2,-0.0 2,-0.2 -0.727 43.1-152.7 -77.9 128.3 44.3 8.1 27.3 5 8 A F E -A 18 0A 25 -2,-0.5 2,-0.3 13,-0.2 11,-0.0 -0.624 8.1-156.6 -97.0 157.8 43.0 5.5 24.8 6 9 A Y E -A 17 0A 52 11,-2.4 11,-2.1 -2,-0.2 2,-0.3 -0.987 12.5-133.1-132.6 150.3 43.7 1.8 24.6 7 10 A R E +A 16 0A 187 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.762 27.4 165.8-104.4 145.5 43.5 -0.6 21.6 8 11 A Q E -A 15 0A 71 7,-2.1 7,-2.9 -2,-0.3 2,-0.5 -0.967 37.1-117.9-157.3 134.4 41.9 -4.0 21.6 9 12 A E E +A 14 0A 137 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.718 48.9 151.1 -80.3 124.6 40.8 -6.3 18.8 10 13 A L E > +A 13 0A 16 3,-3.0 3,-2.0 -2,-0.5 -2,-0.1 -0.981 58.4 8.7-151.5 144.1 37.0 -6.8 19.0 11 14 A N T 3 S- 0 0 30 -2,-0.3 3,-0.1 1,-0.3 22,-0.1 0.811 129.6 -57.6 50.3 37.2 34.3 -7.6 16.3 12 15 A K T 3 S+ 0 0 187 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.581 124.3 80.6 73.4 12.0 37.0 -8.3 13.6 13 16 A T E < S-A 10 0A 54 -3,-2.0 -3,-3.0 -5,-0.1 2,-0.8 -0.940 86.9-102.6-138.5 163.6 38.5 -4.7 14.0 14 17 A I E -A 9 0A 87 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.817 38.3-156.6 -90.4 107.6 40.9 -2.9 16.4 15 18 A W E -A 8 0A 1 -7,-2.9 -7,-2.1 -2,-0.8 2,-0.5 -0.609 5.0-162.1 -80.8 140.4 38.7 -0.8 18.7 16 19 A E E +A 7 0A 59 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.920 23.3 159.8-132.5 108.2 40.4 2.3 20.3 17 20 A V E -A 6 0A 1 -11,-2.1 -11,-2.4 -2,-0.5 -2,-0.0 -0.854 44.3 -86.6-132.8 152.3 38.5 3.6 23.4 18 21 A P E > -A 5 0A 4 0, 0.0 3,-1.9 0, 0.0 -13,-0.2 -0.285 41.1-116.5 -54.6 146.7 39.1 5.8 26.5 19 22 A E T 3 S+ 0 0 108 -15,-2.1 21,-0.2 1,-0.3 -14,-0.1 0.728 110.3 74.4 -59.7 -24.6 40.5 3.9 29.5 20 23 A R T 3 S+ 0 0 69 -16,-0.2 20,-2.6 1,-0.1 2,-0.7 0.782 82.2 75.7 -62.5 -26.4 37.3 4.8 31.4 21 24 A Y E < S-B 39 0B 0 -3,-1.9 2,-0.2 18,-0.2 18,-0.2 -0.818 72.9-179.5 -94.8 111.0 35.4 2.2 29.3 22 25 A Q E +B 38 0B 67 16,-3.0 16,-2.6 -2,-0.7 -2,-0.0 -0.720 45.4 20.2-114.1 156.3 36.4 -1.3 30.7 23 26 A N E S- 0 0 116 -2,-0.2 2,-0.2 14,-0.2 -1,-0.2 0.926 71.1-157.6 58.2 52.6 35.6 -5.0 30.0 24 27 A L E - 0 0 13 -3,-0.2 13,-0.2 13,-0.1 -1,-0.2 -0.478 14.6-179.7 -69.4 126.6 34.5 -4.6 26.5 25 28 A S E -B 36 0B 63 11,-2.2 11,-3.0 -2,-0.2 -15,-0.0 -0.953 28.8-119.5-134.9 109.6 32.3 -7.5 25.5 26 29 A P E +B 35 0B 63 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.168 32.8 171.3 -55.6 133.9 30.8 -7.8 22.0 27 30 A V E - 0 0 85 7,-3.2 2,-0.2 1,-0.4 8,-0.2 0.048 63.8 -7.6-130.4 21.8 26.9 -7.9 22.0 28 31 A G E B 34 0B 35 6,-0.6 6,-2.1 0, 0.0 -1,-0.4 -0.691 360.0 360.0 155.0 150.5 26.4 -7.5 18.3 29 32 A S 0 0 121 4,-0.2 3,-0.1 -2,-0.2 -18,-0.0 -0.525 360.0 360.0-126.9 360.0 27.8 -6.9 14.8 30 ! 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 31 35 A Y 0 0 120 0, 0.0 21,-1.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -50.3 25.1 -0.2 10.5 32 36 A G E - C 0 51B 13 19,-0.3 2,-0.3 -3,-0.1 19,-0.2 -0.768 360.0-103.2 167.6 154.1 27.7 -0.8 13.3 33 37 A S E - C 0 50B 17 17,-1.2 17,-2.6 -2,-0.2 2,-0.4 -0.705 32.7-152.4 -95.5 147.9 29.1 -3.3 15.9 34 38 A V E -BC 28 49B 38 -6,-2.1 -7,-3.2 -2,-0.3 -6,-0.6 -0.928 11.5-171.9-124.2 136.7 28.4 -3.0 19.7 35 39 A C E -BC 26 48B 0 13,-2.3 13,-2.9 -2,-0.4 2,-0.3 -0.965 23.3-129.0-120.1 146.6 30.2 -4.0 22.9 36 40 A A E +BC 25 47B 16 -11,-3.0 -11,-2.2 -2,-0.4 2,-0.3 -0.680 39.1 171.0 -82.5 143.4 28.9 -3.8 26.5 37 41 A A E - C 0 46B 7 9,-3.0 9,-2.7 -2,-0.3 2,-0.5 -0.924 35.0-116.8-145.2 173.4 31.2 -2.1 28.8 38 42 A F E -BC 22 45B 81 -16,-2.6 -16,-3.0 -2,-0.3 2,-1.0 -0.981 21.7-145.8-117.0 126.1 31.6 -0.7 32.2 39 43 A D E >> -BC 21 44B 0 5,-3.2 4,-2.8 -2,-0.5 5,-0.7 -0.773 11.9-172.4 -93.7 102.6 32.1 3.0 32.5 40 44 A T T 45S+ 0 0 79 -20,-2.6 -1,-0.2 -2,-1.0 -19,-0.1 0.717 81.1 61.9 -68.3 -22.3 34.4 3.5 35.5 41 45 A K T 45S+ 0 0 154 -21,-0.3 -1,-0.2 1,-0.1 -20,-0.1 0.892 122.4 17.9 -67.4 -42.3 34.0 7.3 35.4 42 46 A T T 45S- 0 0 70 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.661 99.0-122.2-104.1 -22.2 30.2 7.2 36.0 43 47 A G T <5 + 0 0 44 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.593 67.9 131.0 79.6 17.5 29.8 3.7 37.4 44 48 A L E < -C 39 0B 63 -5,-0.7 -5,-3.2 59,-0.0 2,-0.4 -0.739 63.2-121.0-101.2 148.9 27.3 2.7 34.7 45 49 A R E -C 38 0B 186 -2,-0.3 59,-2.4 -7,-0.2 2,-0.3 -0.751 45.8-170.1 -74.5 129.0 27.0 -0.3 32.4 46 50 A V E -CD 37 103B 0 -9,-2.7 -9,-3.0 -2,-0.4 2,-0.5 -0.891 29.1-132.9-129.6 156.7 27.2 1.1 28.9 47 51 A A E -CD 36 102B 16 55,-2.5 55,-2.4 -2,-0.3 2,-0.5 -0.942 22.4-162.3-104.4 126.6 26.8 0.1 25.2 48 52 A V E -CD 35 101B 0 -13,-2.9 -13,-2.3 -2,-0.5 2,-0.5 -0.968 5.1-163.1-113.5 114.2 29.6 1.4 23.0 49 53 A K E -CD 34 100B 50 51,-3.1 51,-2.6 -2,-0.5 2,-0.6 -0.904 7.6-160.1-103.1 121.7 28.8 1.4 19.3 50 54 A K E -CD 33 99B 21 -17,-2.6 -17,-1.2 -2,-0.5 49,-0.2 -0.905 28.8-125.5 -92.5 119.7 31.6 1.7 16.7 51 55 A L E -C 32 0B 13 47,-2.9 2,-0.5 -2,-0.6 47,-0.3 -0.464 18.6-130.9 -68.4 138.5 29.9 2.9 13.4 52 56 A S S S- 0 0 62 -21,-1.6 4,-0.1 1,-0.2 -1,-0.1 -0.824 77.4 -21.0 -91.9 125.6 30.6 0.6 10.4 53 57 A R S > S+ 0 0 153 -2,-0.5 3,-1.3 1,-0.1 4,-0.3 0.865 76.9 168.7 50.3 51.3 31.8 2.4 7.2 54 58 A P T 3 S+ 0 0 9 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.817 76.5 31.6 -69.6 -29.4 30.4 5.8 8.4 55 59 A F T 3 S+ 0 0 21 41,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.221 85.6 108.9-119.5 39.4 32.2 7.8 5.6 56 60 A Q S < S+ 0 0 112 -3,-1.3 2,-0.3 1,-0.2 -1,-0.1 0.790 88.7 4.4 -85.2 -31.8 32.2 5.2 2.8 57 61 A S S > S- 0 0 37 -4,-0.3 4,-2.9 -3,-0.2 5,-0.2 -0.933 79.8 -99.9-145.0 168.4 29.6 6.9 0.7 58 62 A I H > S+ 0 0 83 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.899 124.7 50.1 -54.2 -41.8 27.6 10.2 0.6 59 63 A I H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 111.1 45.5 -67.0 -44.7 24.7 8.2 1.9 60 64 A H H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 114.7 49.6 -64.1 -45.9 26.6 6.6 4.8 61 65 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.888 111.4 49.2 -57.5 -42.4 28.2 10.0 5.6 62 66 A K H X S+ 0 0 57 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.862 112.6 47.9 -68.5 -38.4 24.7 11.6 5.6 63 67 A R H X S+ 0 0 147 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.854 108.3 53.0 -70.4 -42.8 23.3 8.9 7.9 64 68 A T H X S+ 0 0 10 -4,-2.4 4,-2.6 -10,-0.4 -2,-0.2 0.918 112.6 46.1 -53.1 -48.7 26.2 9.1 10.4 65 69 A Y H X S+ 0 0 6 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.917 113.1 48.1 -65.7 -46.0 25.6 12.9 10.7 66 70 A R H X S+ 0 0 111 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.914 114.0 48.1 -59.5 -40.3 21.8 12.5 11.0 67 71 A E H X S+ 0 0 52 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 114.3 44.6 -70.6 -46.0 22.3 9.8 13.6 68 72 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.937 115.2 47.3 -62.4 -49.9 24.8 11.8 15.7 69 73 A R H X S+ 0 0 40 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.887 112.9 49.7 -61.2 -41.6 22.8 15.0 15.5 70 74 A L H X S+ 0 0 30 -4,-2.4 4,-1.6 -5,-0.3 3,-0.3 0.943 112.8 45.5 -61.3 -51.0 19.6 13.3 16.4 71 75 A L H < S+ 0 0 22 -4,-2.3 11,-0.7 1,-0.2 -2,-0.2 0.847 111.3 52.6 -64.9 -36.0 21.1 11.5 19.4 72 76 A K H < S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.804 110.6 49.4 -64.9 -32.5 22.9 14.7 20.6 73 77 A H H < S+ 0 0 39 -4,-1.4 2,-0.8 -3,-0.3 232,-0.2 0.812 89.5 90.8 -76.7 -33.6 19.5 16.5 20.5 74 78 A M < + 0 0 13 -4,-1.6 8,-0.4 -5,-0.1 2,-0.4 -0.556 43.8 158.6 -74.6 107.5 17.5 13.9 22.5 75 79 A K + 0 0 162 -2,-0.8 2,-0.3 6,-0.1 5,-0.1 -0.730 29.0 108.8-132.7 81.0 17.6 14.8 26.2 76 80 A H > - 0 0 20 3,-0.4 3,-1.6 -2,-0.4 57,-0.0 -0.986 69.7-119.2-156.0 143.7 14.7 13.2 28.0 77 81 A E T 3 S+ 0 0 122 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.778 113.1 46.8 -57.1 -31.7 14.2 10.3 30.5 78 82 A N T 3 S+ 0 0 9 83,-0.1 84,-2.5 2,-0.1 2,-0.4 0.170 105.3 68.5-103.1 17.2 12.0 8.2 28.1 79 83 A V B < S-f 162 0C 7 -3,-1.6 -3,-0.4 82,-0.3 84,-0.2 -0.995 90.6-101.4-131.4 143.9 14.2 8.6 25.0 80 84 A I + 0 0 39 82,-3.1 2,-0.3 -2,-0.4 -6,-0.1 -0.308 47.8 179.9 -60.3 137.8 17.6 7.2 24.2 81 85 A G - 0 0 19 -4,-0.1 2,-0.6 -6,-0.1 22,-0.3 -0.818 29.5 -93.4-134.3 178.4 20.4 9.7 24.7 82 86 A L - 0 0 15 -11,-0.7 20,-0.2 -8,-0.4 3,-0.1 -0.841 23.5-179.4-101.0 122.4 24.1 10.0 24.4 83 87 A L S S- 0 0 25 18,-2.9 2,-0.3 -2,-0.6 19,-0.2 0.852 76.3 -16.7 -77.8 -37.3 26.4 9.5 27.3 84 88 A D E -E 101 0B 24 17,-1.4 17,-2.6 250,-0.1 2,-0.3 -0.985 50.4-156.5-159.3 159.2 29.4 10.1 25.2 85 89 A V E +E 100 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.956 27.3 169.2-140.9 131.8 30.8 10.4 21.6 86 90 A F E -E 99 0B 12 13,-2.3 13,-2.2 -2,-0.3 244,-0.0 -0.959 24.5-167.7-144.3 160.3 34.4 9.9 20.8 87 91 A T - 0 0 13 -2,-0.3 11,-0.1 2,-0.2 8,-0.1 -0.989 26.0-138.1-136.4 139.3 37.0 9.4 18.1 88 92 A P S S+ 0 0 13 0, 0.0 -83,-0.1 0, 0.0 7,-0.1 0.683 73.9 112.3 -65.9 -13.5 40.6 8.4 18.6 89 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.273 52.2-165.1 -66.9 145.0 41.5 11.0 16.0 90 94 A R S S+ 0 0 179 1,-0.1 2,-0.3 -88,-0.0 -1,-0.1 0.464 76.2 22.9-102.8 -9.5 43.5 14.1 17.0 91 95 A S S S- 0 0 28 1,-0.1 4,-0.3 0, 0.0 3,-0.2 -0.961 82.2-106.1-149.2 164.1 42.6 16.0 13.7 92 96 A L S > S+ 0 0 55 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.852 117.5 58.9 -58.7 -34.2 40.1 16.1 10.9 93 97 A E T 3 S+ 0 0 161 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.860 109.3 40.0 -73.2 -34.0 42.7 14.5 8.7 94 98 A E T 3 S+ 0 0 112 -3,-0.2 2,-0.5 -6,-0.0 -1,-0.3 0.325 91.3 120.0 -89.5 11.0 43.2 11.3 10.8 95 99 A F < + 0 0 1 -3,-1.0 3,-0.1 -4,-0.3 231,-0.1 -0.643 18.2 122.1 -83.3 121.4 39.4 11.2 11.5 96 100 A N + 0 0 86 -2,-0.5 2,-0.4 1,-0.3 -41,-0.3 0.465 54.8 65.6-147.3 -24.3 37.6 8.0 10.3 97 101 A D - 0 0 54 -43,-0.1 2,-0.4 -44,-0.1 -1,-0.3 -0.929 53.5-165.7-117.4 139.4 35.9 6.1 13.2 98 102 A V - 0 0 0 -2,-0.4 -47,-2.9 -47,-0.3 2,-0.4 -0.989 4.1-169.0-122.7 128.9 33.0 7.3 15.3 99 103 A Y E -DE 50 86B 1 -13,-2.2 -13,-2.3 -2,-0.4 2,-0.4 -0.989 3.5-162.2-117.4 136.0 31.9 5.7 18.6 100 104 A L E -DE 49 85B 8 -51,-2.6 -51,-3.1 -2,-0.4 2,-0.4 -0.891 4.6-156.8-116.7 138.6 28.7 6.4 20.4 101 105 A V E +DE 48 84B 0 -17,-2.6 -18,-2.9 -2,-0.4 -17,-1.4 -0.967 20.5 156.4-122.1 132.4 28.1 5.6 24.1 102 106 A T E -D 47 0B 26 -55,-2.4 -55,-2.5 -2,-0.4 -20,-0.1 -0.888 51.2 -68.6-140.9 169.0 24.7 5.1 25.7 103 107 A H E -D 46 0B 65 -22,-0.3 2,-0.5 -2,-0.3 -57,-0.3 -0.385 57.4-110.9 -54.9 135.2 23.2 3.3 28.8 104 108 A L - 0 0 50 -59,-2.4 2,-0.6 -67,-0.1 -59,-0.1 -0.644 34.8-169.2 -75.4 124.2 23.4 -0.4 28.4 105 109 A M - 0 0 62 -2,-0.5 50,-0.1 1,-0.1 -1,-0.0 -0.948 8.7-177.4-119.4 104.7 19.9 -1.7 27.9 106 110 A G + 0 0 80 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.327 63.2 41.7 -88.7 6.4 19.8 -5.4 28.2 107 111 A A - 0 0 23 47,-0.1 47,-2.3 4,-0.0 2,-0.2 -0.993 58.5-157.3-153.5 146.9 16.1 -5.9 27.5 108 112 A D B >> -G 153 0C 32 -2,-0.3 4,-1.6 45,-0.3 3,-0.7 -0.563 49.6 -84.0-110.9-179.2 13.3 -4.6 25.2 109 113 A L H 3> S+ 0 0 2 43,-1.6 4,-2.3 40,-1.5 5,-0.3 0.859 129.1 51.0 -58.6 -41.6 9.5 -4.7 25.8 110 114 A N H 3> S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.807 106.9 55.5 -57.4 -36.0 9.2 -8.3 24.5 111 115 A N H <4 S+ 0 0 95 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.843 116.6 35.5 -68.5 -34.0 12.0 -9.5 26.8 112 116 A I H < S+ 0 0 42 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.784 125.1 39.0 -89.4 -31.5 10.2 -8.1 29.9 113 117 A V H >< S- 0 0 10 -4,-2.3 3,-1.7 -5,-0.2 -3,-0.2 0.824 76.4-170.1 -91.4 -36.0 6.6 -8.9 28.8 114 118 A K T 3< - 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0 0 2 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.1 -0.203 36.8 -60.5 96.9 165.4 -14.5 -0.4 10.3 225 241 A T S S- 0 0 23 24,-1.7 26,-0.1 1,-0.1 50,-0.1 -0.521 76.2 -78.4 -75.9 156.8 -14.4 0.5 6.6 226 242 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.311 46.6-132.5 -59.1 137.6 -13.8 4.3 6.0 227 243 A G > - 0 0 40 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.142 31.1 -93.1 -76.7 176.8 -16.6 6.8 6.4 228 244 A A H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.862 124.1 55.2 -54.7 -44.8 -17.7 9.6 4.1 229 245 A E H 4 S+ 0 0 118 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.928 113.3 41.3 -58.7 -45.4 -15.6 12.2 5.9 230 246 A L H >4 S+ 0 0 28 1,-0.2 3,-1.9 2,-0.2 4,-0.2 0.918 111.0 55.5 -70.2 -45.9 -12.5 10.1 5.5 231 247 A L H >< S+ 0 0 29 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.878 100.0 62.8 -52.9 -39.7 -13.3 9.1 1.9 232 248 A K T 3< S+ 0 0 168 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.702 99.7 54.7 -58.1 -20.2 -13.5 12.8 1.1 233 249 A K T < S+ 0 0 89 -3,-1.9 2,-0.7 -4,-0.3 -1,-0.3 0.393 79.9 109.7 -98.7 5.9 -9.9 13.2 2.0 234 250 A I < - 0 0 11 -3,-1.8 6,-0.1 -4,-0.2 -3,-0.0 -0.728 41.4-177.0 -91.2 111.0 -8.5 10.5 -0.4 235 251 A S + 0 0 122 -2,-0.7 2,-0.3 4,-0.0 -1,-0.2 0.845 58.0 89.6 -71.7 -40.0 -6.5 12.0 -3.3 236 252 A S > - 0 0 56 1,-0.2 4,-2.4 2,-0.0 5,-0.1 -0.459 64.4-153.7 -67.9 120.7 -5.7 8.7 -5.2 237 253 A E H > S+ 0 0 154 -2,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.885 96.5 49.6 -64.8 -34.4 -8.5 7.9 -7.7 238 254 A S H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 109.3 50.7 -70.3 -41.2 -7.7 4.2 -7.4 239 255 A A H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.942 112.3 48.5 -58.9 -47.4 -7.8 4.2 -3.7 240 256 A R H X S+ 0 0 84 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.959 111.3 48.5 -55.8 -58.7 -11.2 6.0 -3.9 241 257 A N H X S+ 0 0 83 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.844 113.0 49.1 -50.3 -42.9 -12.6 3.5 -6.4 242 258 A Y H >< S+ 0 0 163 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.898 110.6 48.0 -67.5 -44.1 -11.4 0.6 -4.3 243 259 A I H >< S+ 0 0 34 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.879 107.7 57.1 -66.2 -35.3 -12.8 1.9 -1.0 244 260 A Q H 3< S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.744 102.5 55.3 -67.6 -23.1 -16.2 2.6 -2.7 245 261 A S T << S+ 0 0 106 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.270 88.8 107.5 -93.8 10.8 -16.5 -1.1 -3.8 246 262 A L S < S- 0 0 53 -3,-1.4 2,-0.8 -4,-0.1 -3,-0.0 -0.395 77.8-110.4 -85.2 162.3 -16.1 -2.5 -0.3 247 263 A T - 0 0 121 -2,-0.1 2,-0.2 1,-0.0 -22,-0.1 -0.854 41.3-119.9 -93.4 107.3 -18.8 -4.0 2.0 248 264 A Q - 0 0 155 -2,-0.8 -21,-0.0 -24,-0.1 -1,-0.0 -0.257 34.1-174.3 -54.6 110.5 -19.3 -1.5 4.7 249 265 A M - 0 0 89 -2,-0.2 -24,-1.7 -29,-0.1 2,-0.2 -0.899 24.0-120.4-101.5 136.4 -18.5 -3.0 8.1 250 266 A P - 0 0 111 0, 0.0 -26,-0.3 0, 0.0 3,-0.1 -0.496 36.6 -94.4 -70.4 143.7 -19.2 -1.1 11.3 251 267 A K - 0 0 101 -28,-0.3 -28,-0.2 -2,-0.2 -29,-0.1 -0.388 49.6-114.3 -47.4 127.9 -16.4 -0.3 13.7 252 268 A M - 0 0 84 -30,-1.9 2,-0.8 -31,-0.2 -1,-0.1 -0.320 28.7-103.9 -65.0 154.5 -16.4 -3.1 16.3 253 269 A N > - 0 0 91 1,-0.1 3,-2.1 -3,-0.1 -1,-0.1 -0.765 24.8-149.5 -86.0 113.6 -17.2 -2.2 19.9 254 270 A F G >> S+ 0 0 0 -2,-0.8 4,-2.9 1,-0.3 3,-1.5 0.729 93.2 65.5 -58.8 -27.9 -13.8 -2.2 21.7 255 271 A A G 34 S+ 0 0 49 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.837 102.2 49.3 -60.9 -31.7 -15.5 -3.2 25.0 256 272 A N G <4 S+ 0 0 123 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.184 115.0 44.8 -92.9 14.7 -16.4 -6.5 23.4 257 273 A V T <4 S+ 0 0 38 -3,-1.5 2,-0.6 -5,-0.1 -2,-0.2 0.586 115.1 44.4-118.7 -43.4 -12.8 -7.0 22.2 258 274 A F S >< S- 0 0 8 -4,-2.9 3,-1.5 3,-0.0 2,-0.1 -0.488 83.9-174.5-105.8 60.6 -11.0 -6.0 25.4 259 275 A I T 3 + 0 0 129 -2,-0.6 -3,-0.1 1,-0.2 -4,-0.1 -0.354 67.8 13.9 -60.2 126.7 -13.3 -8.0 27.7 260 276 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -5,-0.2 -4,-0.1 0.001 94.1 132.8 101.0 -25.8 -12.4 -7.4 31.4 261 277 A A S < S- 0 0 31 -3,-1.5 -1,-0.3 1,-0.2 -3,-0.0 -0.078 70.5 -86.5 -65.5 154.7 -10.3 -4.3 30.9 262 278 A N >> - 0 0 47 1,-0.1 4,-1.9 2,-0.0 3,-0.7 -0.417 37.2-131.7 -48.2 127.0 -10.4 -1.0 32.8 263 279 A P H 3> S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.758 109.0 59.0 -59.8 -28.9 -13.1 1.1 30.9 264 280 A L H 3> S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.832 105.5 48.9 -64.6 -38.6 -10.6 4.0 31.0 265 281 A A H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.913 111.4 48.2 -65.7 -45.3 -8.1 1.7 29.0 266 282 A V H X S+ 0 0 16 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.898 111.1 52.1 -61.9 -43.5 -10.8 0.8 26.5 267 283 A D H X S+ 0 0 62 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.925 109.8 47.9 -58.7 -48.2 -11.7 4.5 26.1 268 284 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.907 110.2 52.3 -58.0 -43.8 -8.1 5.5 25.4 269 285 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-0.3 0.880 105.4 54.4 -63.0 -39.3 -7.7 2.7 22.9 270 286 A E H < S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 110.5 47.7 -58.1 -38.1 -10.8 3.9 21.1 271 287 A K H < S+ 0 0 85 -4,-1.5 10,-2.4 1,-0.2 3,-0.3 0.691 116.3 43.8 -78.0 -21.3 -9.2 7.4 20.8 272 288 A M H < S+ 0 0 0 -4,-1.4 2,-1.1 -3,-0.3 -2,-0.2 0.844 107.8 54.9 -88.8 -40.1 -5.9 5.9 19.6 273 289 A L S < S+ 0 0 4 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 -0.536 70.3 138.3-103.4 65.0 -7.0 3.4 17.0 274 290 A V - 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