==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUN-11 3ZSG . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.AZEVEDO,M.VAN ZEELAND,H.RAAIJMAKERS,B.KAZEMIER,A.OUBRIE . 337 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 61.1 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 . 42 12.5 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 . 19 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 27.9 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 3 2 0 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 . 1 0 2 0 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 4 A E 0 0 250 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.5 43.0 17.6 9.4 2 5 A R - 0 0 114 1,-0.1 3,-0.0 3,-0.0 89,-0.0 -0.537 360.0-108.6 -72.3 142.1 42.4 20.6 11.7 3 6 A P - 0 0 66 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.300 32.1-104.0 -66.2 157.8 41.8 23.9 10.0 4 7 A T - 0 0 85 1,-0.0 15,-2.5 0, 0.0 2,-0.2 -0.746 42.8-153.7 -78.8 126.7 44.4 26.6 10.1 5 8 A F E -A 18 0A 29 -2,-0.5 2,-0.3 13,-0.2 11,-0.0 -0.651 8.9-158.3 -98.4 156.6 43.2 29.3 12.6 6 9 A Y E -A 17 0A 62 11,-2.4 11,-2.1 -2,-0.2 2,-0.4 -0.948 12.8-132.8-126.7 159.1 44.0 33.0 12.8 7 10 A R E +A 16 0A 175 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.894 27.1 165.6-112.6 138.8 43.8 35.3 15.8 8 11 A Q E -A 15 0A 75 7,-2.4 7,-3.1 -2,-0.4 2,-0.5 -0.983 37.5-118.7-149.8 136.0 42.2 38.8 15.8 9 12 A E E +A 14 0A 147 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.711 45.1 161.4 -77.8 121.7 41.1 41.1 18.6 10 13 A L E > -A 13 0A 18 3,-2.7 3,-2.0 -2,-0.5 -2,-0.1 -0.994 61.9 -0.4-142.5 142.5 37.3 41.7 18.4 11 14 A N T 3 S- 0 0 58 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.877 130.1 -58.2 39.7 46.8 34.9 43.0 21.1 12 15 A K T 3 S+ 0 0 188 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.619 121.0 86.1 64.2 19.6 37.8 43.2 23.5 13 16 A T E < S-A 10 0A 59 -3,-2.0 -3,-2.7 -5,-0.1 2,-0.8 -0.960 85.6-100.6-137.6 162.4 38.9 39.6 23.4 14 17 A I E -A 9 0A 93 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.736 37.2-156.8 -83.5 109.2 41.2 37.5 21.1 15 18 A W E -A 8 0A 2 -7,-3.1 -7,-2.4 -2,-0.8 2,-0.5 -0.754 5.6-165.5 -84.0 134.3 39.0 35.6 18.7 16 19 A E E +A 7 0A 64 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.0 -0.953 22.1 159.6-122.9 108.2 40.6 32.6 17.2 17 20 A V E -A 6 0A 1 -11,-2.1 -11,-2.4 -2,-0.5 2,-0.0 -0.899 45.3 -88.7-130.7 155.5 38.7 31.2 14.1 18 21 A P E > -A 5 0A 3 0, 0.0 3,-2.1 0, 0.0 -13,-0.2 -0.372 41.3-117.3 -59.2 142.7 39.3 29.0 11.1 19 22 A E T 3 S+ 0 0 106 -15,-2.5 22,-0.2 1,-0.3 -14,-0.1 0.673 107.5 76.8 -60.7 -19.4 40.6 30.9 8.0 20 23 A R T 3 S+ 0 0 54 -16,-0.2 21,-2.5 20,-0.1 2,-0.7 0.844 82.9 76.2 -56.1 -33.4 37.4 30.1 6.0 21 24 A Y E < S-B 40 0B 0 -3,-2.1 2,-0.3 19,-0.2 3,-0.2 -0.759 73.0-179.6 -88.1 115.1 35.7 32.8 8.1 22 25 A Q E +B 39 0B 70 17,-2.4 17,-2.4 -2,-0.7 -2,-0.0 -0.738 46.3 18.9-118.6 154.4 36.8 36.2 6.7 23 26 A N E S- 0 0 121 -2,-0.3 -1,-0.2 15,-0.2 2,-0.1 0.878 70.3-159.5 59.5 46.9 36.1 39.8 7.5 24 27 A L E + 0 0 13 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.380 15.6 175.3 -60.0 132.4 34.8 39.5 11.0 25 28 A S E -B 37 0B 71 12,-2.0 12,-2.9 -2,-0.1 -15,-0.1 -0.955 32.4-114.6-142.8 118.9 32.8 42.6 12.0 26 29 A P E +B 36 0B 59 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.200 28.2 178.6 -57.8 139.7 30.9 42.8 15.3 27 30 A V E - 0 0 90 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.734 61.9 -51.6 -99.5 -46.3 27.1 43.0 15.0 28 31 A G E -B 35 0B 29 7,-1.4 7,-2.5 2,-0.0 -1,-0.4 -0.966 48.4-151.0-177.2-173.0 26.5 43.2 18.8 29 32 A S E +B 34 0B 84 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.960 14.8 156.2-168.4 169.9 27.0 41.8 22.2 30 33 A G E > -B 33 0B 43 3,-2.1 3,-1.0 -2,-0.3 -2,-0.0 -0.934 66.8 -46.5 179.0-161.8 25.7 41.2 25.8 31 34 A A T 3 S+ 0 0 101 -2,-0.3 3,-0.1 1,-0.2 22,-0.1 0.773 127.5 60.4 -60.9 -29.4 26.0 39.0 28.8 32 35 A Y T 3 S- 0 0 107 1,-0.2 21,-2.8 20,-0.1 2,-0.3 0.723 118.9 -92.2 -69.5 -28.9 25.8 35.9 26.6 33 36 A G E < -BC 30 52B 8 -3,-1.0 -3,-2.1 19,-0.3 2,-0.3 -0.985 50.5 -73.9 145.7-150.3 28.9 36.7 24.4 34 37 A S E -BC 29 51B 11 17,-1.4 17,-2.3 -2,-0.3 2,-0.4 -0.981 28.6-138.4-151.0 165.4 29.2 38.5 21.2 35 38 A V E -BC 28 50B 29 -7,-2.5 -8,-3.2 -2,-0.3 -7,-1.4 -0.969 10.9-168.2-131.3 126.0 28.4 38.1 17.5 36 39 A C E -BC 26 49B 0 13,-2.9 13,-3.5 -2,-0.4 2,-0.3 -0.947 20.7-131.6-113.0 139.6 30.4 39.0 14.4 37 40 A A E +BC 25 48B 20 -12,-2.9 -12,-2.0 -2,-0.4 2,-0.3 -0.627 39.6 165.5 -74.1 146.7 29.2 38.9 10.8 38 41 A A E - C 0 47B 8 9,-2.4 9,-2.6 -2,-0.3 2,-0.5 -0.947 37.7-113.8-153.0 169.8 31.6 37.1 8.5 39 42 A F E -BC 22 46B 77 -17,-2.4 -17,-2.4 -2,-0.3 2,-1.2 -0.972 20.4-144.9-112.3 123.4 31.9 35.6 5.1 40 43 A D E >>> -BC 21 45B 2 5,-3.2 4,-2.2 -2,-0.5 5,-0.8 -0.723 11.5-168.8 -85.3 96.3 32.4 31.9 4.9 41 44 A T T 345S+ 0 0 80 -21,-2.5 -1,-0.2 -2,-1.2 -20,-0.1 0.770 81.9 60.9 -53.3 -27.6 34.7 31.5 1.8 42 45 A K T 345S+ 0 0 150 -22,-0.2 -1,-0.2 1,-0.2 -21,-0.1 0.884 120.6 19.8 -73.0 -40.4 34.0 27.7 1.8 43 46 A T T <45S- 0 0 73 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.517 99.2-122.6-103.2 -12.1 30.3 27.8 1.3 44 47 A G T <5 + 0 0 45 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.653 67.1 137.8 72.2 18.5 30.0 31.4 -0.1 45 48 A L E < -C 40 0B 62 -5,-0.8 -5,-3.2 59,-0.0 2,-0.5 -0.736 59.1-127.2-100.4 143.0 27.6 32.2 2.7 46 49 A R E -C 39 0B 173 -2,-0.3 59,-2.5 -7,-0.2 2,-0.3 -0.755 44.8-178.5 -77.8 127.4 27.3 35.3 4.9 47 50 A V E -CD 38 104B 0 -9,-2.6 -9,-2.4 -2,-0.5 2,-0.5 -0.800 30.8-129.2-129.4 164.6 27.4 34.0 8.4 48 51 A A E -CD 37 103B 15 55,-2.6 55,-2.1 -2,-0.3 2,-0.5 -0.981 20.5-159.6-113.2 131.7 27.2 35.1 12.0 49 52 A V E -CD 36 102B 0 -13,-3.5 -13,-2.9 -2,-0.5 2,-0.5 -0.967 5.9-165.4-112.8 124.2 29.9 33.8 14.4 50 53 A K E -CD 35 101B 35 51,-3.0 51,-2.5 -2,-0.5 2,-0.7 -0.938 8.4-158.1-114.5 123.6 29.1 33.9 18.1 51 54 A K E -CD 34 100B 20 -17,-2.3 -17,-1.4 -2,-0.5 49,-0.2 -0.882 27.0-127.6 -97.7 115.7 31.8 33.5 20.8 52 55 A L E -C 33 0B 11 47,-2.6 2,-0.5 -2,-0.7 -19,-0.3 -0.316 16.9-132.6 -64.3 144.1 30.2 32.3 24.0 53 56 A S S S- 0 0 41 -21,-2.8 4,-0.1 1,-0.2 -1,-0.1 -0.880 78.1 -16.0 -99.7 130.2 31.0 34.3 27.1 54 57 A R S > S+ 0 0 148 -2,-0.5 3,-1.3 1,-0.1 4,-0.3 0.849 75.9 170.8 50.6 46.4 31.9 32.4 30.3 55 58 A P T 3 S+ 0 0 9 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.802 77.7 24.5 -59.9 -31.4 30.6 29.1 28.9 56 59 A F T 3 S+ 0 0 25 41,-0.3 -2,-0.1 1,-0.1 268,-0.1 -0.018 82.7 119.1-124.6 29.1 32.1 27.0 31.8 57 60 A Q S < S- 0 0 106 -3,-1.3 2,-0.3 -4,-0.1 -1,-0.1 0.797 86.8 -5.4 -66.5 -30.3 32.3 29.6 34.6 58 61 A S S > S- 0 0 39 -4,-0.3 4,-2.9 -3,-0.1 5,-0.2 -0.922 81.8 -89.6-155.3 171.4 30.0 27.6 36.8 59 62 A I H > S+ 0 0 79 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.924 125.9 47.5 -55.9 -46.7 27.8 24.5 36.8 60 63 A I H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 112.3 47.5 -66.2 -45.0 24.8 26.5 35.6 61 64 A H H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.934 114.1 49.7 -55.8 -47.6 26.8 28.3 32.8 62 65 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.914 111.5 46.3 -62.7 -45.0 28.2 24.9 31.7 63 66 A K H X S+ 0 0 20 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.873 112.2 52.5 -65.9 -36.4 24.8 23.2 31.7 64 67 A R H X S+ 0 0 149 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.887 108.9 49.5 -64.3 -39.5 23.4 26.2 29.7 65 68 A T H X S+ 0 0 9 -4,-2.4 4,-2.7 -10,-0.4 -2,-0.2 0.935 113.0 46.8 -62.6 -46.6 26.2 25.9 27.2 66 69 A Y H X S+ 0 0 12 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.920 112.1 50.6 -61.8 -44.7 25.5 22.2 26.8 67 70 A R H X S+ 0 0 81 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.910 112.0 47.8 -58.2 -46.4 21.7 22.8 26.5 68 71 A E H X S+ 0 0 56 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.910 114.4 44.8 -63.2 -47.4 22.3 25.5 23.8 69 72 A L H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.928 113.0 50.6 -67.4 -45.7 24.7 23.3 21.7 70 73 A R H X S+ 0 0 37 -4,-2.9 4,-1.6 -5,-0.2 -2,-0.2 0.922 113.3 46.3 -53.7 -48.0 22.4 20.2 22.0 71 74 A L H X S+ 0 0 44 -4,-2.3 4,-1.8 -5,-0.2 3,-0.3 0.940 112.9 48.6 -61.1 -50.1 19.4 22.2 20.9 72 75 A L H < S+ 0 0 18 -4,-2.4 11,-0.6 1,-0.2 -1,-0.2 0.876 111.5 50.2 -58.6 -42.9 21.2 23.8 18.0 73 76 A K H < S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.803 112.3 47.9 -65.5 -30.8 22.6 20.5 16.8 74 77 A H H < S+ 0 0 37 -4,-1.6 2,-1.0 -3,-0.3 233,-0.3 0.789 90.3 88.7 -82.6 -28.9 19.2 18.9 16.9 75 78 A M < + 0 0 9 -4,-1.8 2,-0.4 -5,-0.1 8,-0.4 -0.602 44.5 155.8 -78.4 101.1 17.3 21.6 15.0 76 79 A K + 0 0 165 -2,-1.0 2,-0.3 6,-0.1 5,-0.1 -0.782 28.0 112.2-127.2 86.2 17.5 20.8 11.3 77 80 A H > - 0 0 18 3,-0.4 3,-1.8 -2,-0.4 57,-0.0 -0.981 69.2-120.6-157.8 141.7 14.5 22.5 9.5 78 81 A E T 3 S+ 0 0 123 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.767 112.9 46.4 -59.5 -31.7 14.2 25.4 7.0 79 82 A N T 3 S+ 0 0 6 83,-0.1 84,-2.7 2,-0.1 2,-0.4 0.187 104.7 70.9-100.2 17.7 12.0 27.4 9.3 80 83 A V B < S-f 163 0C 5 -3,-1.8 -3,-0.4 82,-0.3 84,-0.2 -0.985 90.8-102.0-131.1 141.9 14.1 27.0 12.5 81 84 A I + 0 0 15 82,-2.4 2,-0.2 -2,-0.4 -6,-0.1 -0.374 51.2 174.7 -58.9 138.0 17.5 28.4 13.4 82 85 A G - 0 0 15 -4,-0.1 2,-0.5 -6,-0.1 22,-0.3 -0.804 30.2 -91.7-138.0-176.0 20.2 25.8 12.9 83 86 A L + 0 0 17 -11,-0.6 20,-0.2 -8,-0.4 3,-0.1 -0.855 22.7 177.6-111.4 126.0 24.0 25.3 13.0 84 87 A L S S- 0 0 25 18,-2.9 2,-0.3 -2,-0.5 19,-0.2 0.740 77.9 -14.3 -86.7 -30.1 26.3 25.7 10.1 85 88 A D E -E 102 0B 21 17,-1.3 17,-2.6 251,-0.1 -1,-0.4 -0.980 50.1-160.9-167.5 151.5 29.4 25.0 12.2 86 89 A V E +E 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.964 26.8 165.6-141.2 137.0 30.7 24.8 15.8 87 90 A F E -E 100 0B 13 13,-2.2 13,-2.4 -2,-0.3 245,-0.0 -0.972 25.7-162.8-147.9 163.7 34.3 25.1 16.6 88 91 A T - 0 0 14 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.986 23.5-139.3-141.2 140.4 36.9 25.6 19.3 89 92 A P S S+ 0 0 15 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.670 74.4 108.8 -70.0 -14.8 40.6 26.5 18.8 90 93 A A - 0 0 15 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.327 56.5-159.4 -65.0 144.2 41.5 24.0 21.5 91 94 A R S S+ 0 0 182 1,-0.1 2,-0.3 -89,-0.0 -1,-0.1 0.516 74.4 23.2-102.9 -10.3 43.2 20.8 20.4 92 95 A S S > S- 0 0 33 1,-0.1 3,-0.8 0, 0.0 4,-0.5 -0.951 82.7-107.5-146.3 162.5 42.4 18.7 23.5 93 96 A L G > S+ 0 0 53 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.861 120.5 61.4 -56.5 -35.6 39.7 18.7 26.3 94 97 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.812 109.3 40.5 -64.0 -29.1 42.5 19.9 28.5 95 98 A E G < S+ 0 0 100 -3,-0.8 2,-0.4 2,-0.0 -1,-0.3 0.415 88.7 122.3 -94.3 -3.0 42.9 23.0 26.4 96 99 A F < + 0 0 0 -3,-1.1 3,-0.1 -4,-0.5 232,-0.1 -0.511 16.9 122.7 -75.9 117.6 39.1 23.5 25.9 97 100 A N + 0 0 96 -2,-0.4 2,-0.4 1,-0.3 -41,-0.3 0.514 57.9 59.8-139.5 -30.6 37.8 26.9 27.1 98 101 A D - 0 0 53 -43,-0.1 2,-0.4 -44,-0.1 -8,-0.3 -0.882 53.4-165.3-118.7 141.3 36.0 28.7 24.2 99 102 A V - 0 0 1 -2,-0.4 -47,-2.6 -47,-0.2 2,-0.4 -0.996 4.9-167.8-126.3 128.0 33.0 27.7 22.1 100 103 A Y E -DE 51 87B 0 -13,-2.4 -13,-2.2 -2,-0.4 2,-0.4 -0.961 4.5-160.3-117.0 134.5 32.1 29.4 18.8 101 104 A L E -DE 50 86B 9 -51,-2.5 -51,-3.0 -2,-0.4 2,-0.4 -0.923 3.2-159.5-116.1 138.1 28.8 28.9 17.0 102 105 A V E +DE 49 85B 0 -17,-2.6 -18,-2.9 -2,-0.4 -17,-1.3 -0.964 19.9 152.4-122.1 129.4 28.1 29.6 13.3 103 106 A T E -D 48 0B 18 -55,-2.1 -55,-2.6 -2,-0.4 -20,-0.1 -0.861 52.3 -64.6-138.2 177.6 24.7 30.2 11.6 104 107 A H E -D 47 0B 71 -22,-0.3 2,-0.3 -2,-0.3 -57,-0.3 -0.396 57.6-108.7 -61.0 137.9 23.3 32.1 8.6 105 108 A L - 0 0 47 -59,-2.5 2,-0.4 -67,-0.1 -59,-0.1 -0.570 38.3-162.4 -69.7 128.9 23.7 35.8 8.8 106 109 A M + 0 0 39 -2,-0.3 3,-0.1 1,-0.1 50,-0.1 -0.930 16.9 179.5-118.1 142.6 20.3 37.3 9.4 107 110 A G + 0 0 79 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.386 59.5 28.0-125.9 1.6 19.4 41.0 8.8 108 111 A A - 0 0 22 4,-0.0 47,-2.3 3,-0.0 -1,-0.2 -0.977 55.6-151.8-166.5 147.0 15.8 41.6 9.6 109 112 A D B >> -G 154 0C 20 -2,-0.3 4,-1.4 45,-0.3 3,-1.0 -0.636 45.1 -85.3-120.3-179.9 12.9 40.3 11.8 110 113 A L H 3> S+ 0 0 1 43,-1.7 4,-1.9 40,-1.4 5,-0.2 0.825 124.2 57.5 -63.9 -34.2 9.2 40.3 11.4 111 114 A N H 3> S+ 0 0 69 39,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.865 105.0 52.6 -57.4 -38.0 8.7 43.8 12.8 112 115 A N H <4 S+ 0 0 76 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.867 111.8 45.0 -68.9 -38.8 11.0 45.2 10.1 113 116 A I H < S+ 0 0 49 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.838 118.2 43.9 -68.8 -35.6 9.0 43.5 7.3 114 117 A V H >< S- 0 0 7 -4,-1.9 3,-1.3 -5,-0.2 -2,-0.2 0.924 73.4-171.6 -82.5 -49.2 5.7 44.6 8.8 115 118 A K T 3< S- 0 0 151 -4,-2.5 3,-0.1 1,-0.3 -3,-0.1 0.799 72.9 -65.7 59.8 34.8 6.3 48.3 9.8 116 119 A C T 3 S+ 0 0 105 -5,-0.2 -1,-0.3 1,-0.2 2,-0.3 0.773 108.0 125.1 59.1 28.9 2.9 48.6 11.6 117 120 A Q S < S- 0 0 123 -3,-1.3 88,-0.3 89,-0.0 2,-0.3 -0.713 70.0 -98.5-111.5 162.4 1.1 48.1 8.3 118 121 A K - 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0 0 42 -2,-1.5 6,-0.1 -3,-0.2 5,-0.1 -0.956 54.9-140.0-110.3 131.8 -9.2 30.2 22.6 277 291 A L S S+ 0 0 35 -2,-0.5 2,-0.6 -52,-0.2 -99,-0.2 0.923 88.4 75.6 -58.1 -46.0 -8.6 30.8 26.3 278 292 A D S > S- 0 0 13 1,-0.2 3,-1.9 -3,-0.1 4,-0.3 -0.559 73.3-154.5 -72.2 113.6 -8.6 27.1 27.1 279 293 A S G > S+ 0 0 22 -2,-0.6 3,-0.9 1,-0.3 -1,-0.2 0.775 91.0 63.8 -64.3 -25.8 -5.3 25.8 25.9 280 294 A D G 3 S+ 0 0 90 1,-0.2 -1,-0.3 -93,-0.0 -2,-0.1 0.662 103.2 48.5 -68.3 -19.5 -6.8 22.3 25.4 281 295 A K G < S+ 0 0 91 -3,-1.9 -1,-0.2 -5,-0.1 2,-0.2 0.349 86.0 109.6-105.4 4.6 -9.2 23.6 22.8 282 296 A R S < S- 0 0 8 -3,-0.9 -8,-0.2 -4,-0.3 -93,-0.1 -0.560 77.3-105.3 -78.1 146.3 -6.6 25.5 20.7 283 297 A I - 0 0 16 -10,-2.1 2,-0.1 -2,-0.2 -1,-0.1 -0.381 35.2-124.4 -65.4 145.3 -5.7 24.1 17.3 284 298 A T > - 0 0 57 1,-0.1 4,-2.5 -2,-0.1 5,-0.1 -0.420 22.7-108.5 -84.1 168.9 -2.3 22.4 17.1 285 299 A A H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.927 121.5 49.8 -63.7 -46.3 0.4 23.4 14.6 286 300 A A H > S+ 0 0 50 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.920 112.8 46.9 -56.3 -46.6 -0.2 20.2 12.6 287 301 A Q H 4 S+ 0 0 113 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.896 110.9 52.2 -64.0 -39.4 -3.9 20.8 12.5 288 302 A A H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 6,-0.3 0.879 102.6 57.9 -68.4 -36.2 -3.5 24.4 11.5 289 303 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 107.2 49.8 -59.2 -31.0 -1.2 23.5 8.5 290 304 A A T 3< S+ 0 0 66 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.516 86.6 115.6 -85.6 -6.7 -4.1 21.4 7.2 291 305 A H S X S- 0 0 22 -3,-1.3 3,-2.3 -4,-0.4 7,-0.1 -0.389 79.2-116.4 -70.6 140.7 -6.6 24.3 7.6 292 306 A A G > S+ 0 0 60 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.717 107.4 75.5 -50.5 -28.3 -8.1 25.6 4.4 293 307 A Y G 3 S+ 0 0 4 1,-0.3 3,-0.3 -27,-0.3 -1,-0.3 0.832 98.4 45.7 -52.0 -35.1 -6.5 29.0 4.9 294 308 A F G X> S+ 0 0 0 -3,-2.3 4,-2.7 -6,-0.3 3,-2.1 0.191 73.6 123.8 -98.4 17.8 -3.1 27.5 3.8 295 309 A A T <4 S+ 0 0 77 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.804 72.0 53.3 -48.7 -39.0 -4.4 25.6 0.8 296 310 A Q T 34 S+ 0 0 110 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.702 123.4 27.4 -75.0 -15.1 -1.9 27.3 -1.7 297 311 A Y T <4 S+ 0 0 67 -3,-2.1 -2,-0.2 -8,-0.1 -1,-0.2 0.637 89.2 111.2-115.7 -23.8 1.1 26.4 0.5 298 312 A H < + 0 0 62 -4,-2.7 -8,-0.1 -7,-0.1 5,-0.1 -0.358 31.5 169.6 -64.3 130.8 0.2 23.2 2.5 299 313 A D > - 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0 0 95 -3,-1.7 2,-0.6 -4,-0.2 -3,-0.0 -0.682 57.0-156.2-100.9 145.8 20.7 15.8 35.9 317 331 A D + 0 0 154 -2,-0.3 2,-0.2 -254,-0.0 -3,-0.1 -0.925 32.0 166.5-116.6 98.6 23.0 17.6 38.4 318 332 A L - 0 0 39 -2,-0.6 -255,-0.1 1,-0.1 2,-0.1 -0.665 37.0 -96.4-115.6 167.7 26.6 17.2 37.2 319 333 A L > - 0 0 115 -2,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.358 38.6-108.1 -79.0 161.6 30.0 18.7 38.0 320 334 A I H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.925 119.3 50.5 -58.1 -46.2 31.4 21.6 35.9 321 335 A D H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.792 108.2 54.9 -67.4 -24.0 34.0 19.4 34.2 322 336 A E H > S+ 0 0 89 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.945 110.5 43.1 -71.2 -49.2 31.4 16.8 33.4 323 337 A W H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.901 114.7 52.6 -60.4 -39.3 29.2 19.4 31.5 324 338 A K H X S+ 0 0 34 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.937 110.7 46.5 -61.6 -47.2 32.4 20.7 29.9 325 339 A S H X S+ 0 0 39 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.899 111.5 50.4 -62.4 -44.7 33.4 17.2 28.7 326 340 A L H X S+ 0 0 56 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.900 111.6 49.6 -61.5 -38.7 29.9 16.5 27.4 327 341 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.936 108.2 52.6 -64.1 -45.1 30.0 19.8 25.5 328 342 A Y H X S+ 0 0 34 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.908 106.7 53.5 -57.9 -42.9 33.5 19.0 24.1 329 343 A D H X S+ 0 0 86 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.912 108.4 50.4 -54.6 -45.6 32.1 15.6 22.8 330 344 A E H < S+ 0 0 39 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.850 110.3 49.3 -66.5 -34.6 29.2 17.5 21.1 331 345 A V H >< S+ 0 0 11 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.966 113.4 45.9 -65.0 -51.5 31.7 19.9 19.4 332 346 A I H 3< S+ 0 0 109 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.801 113.1 49.4 -63.7 -31.6 34.0 17.1 18.2 333 347 A S T 3< S+ 0 0 67 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.481 81.1 126.0 -89.6 -2.3 31.1 15.0 16.8 334 348 A F < - 0 0 32 -3,-1.2 -248,-0.1 -4,-0.5 -3,-0.0 -0.321 40.4-166.2 -63.4 135.5 29.4 17.8 14.9 335 349 A V - 0 0 112 -262,-0.1 -2,-0.1 -250,-0.0 -1,-0.0 -0.993 22.1-124.9-120.8 120.7 28.7 17.1 11.2 336 350 A P - 0 0 77 0, 0.0 -252,-0.1 0, 0.0 -251,-0.1 -0.216 32.1 -97.2 -64.7 158.0 27.8 20.2 9.1 337 351 A P 0 0 68 0, 0.0 -261,-0.0 0, 0.0 -253,-0.0 -0.289 360.0 360.0 -72.1 161.1 24.6 20.2 7.0 338 352 A P 0 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.342 360.0 360.0 -71.6 360.0 24.7 19.3 3.3