==== 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 3ZSH . 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 . 331 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 63.4 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 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 1 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 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 4 A E 0 0 260 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-157.8 43.2 18.2 9.5 2 5 A R - 0 0 92 1,-0.1 3,-0.1 3,-0.0 87,-0.0 -0.726 360.0-115.0-101.1 136.9 42.4 21.4 11.4 3 6 A P - 0 0 68 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.280 32.3-106.3 -68.1 150.9 41.6 24.8 9.8 4 7 A T - 0 0 103 12,-0.0 13,-2.4 1,-0.0 2,-0.3 -0.580 40.1-153.8 -69.9 138.1 43.9 27.8 10.2 5 8 A F E -A 16 0A 24 11,-0.3 2,-0.3 -2,-0.2 9,-0.0 -0.765 8.5-157.8-109.2 158.7 42.5 30.3 12.6 6 9 A Y E -A 15 0A 44 9,-2.5 9,-1.7 -2,-0.3 2,-0.4 -0.968 13.1-133.0-133.4 158.2 43.0 34.1 12.9 7 10 A R E +A 14 0A 196 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.860 28.6 164.1-112.9 137.2 42.5 36.4 15.9 8 11 A Q E -A 13 0A 77 5,-2.4 5,-2.3 -2,-0.4 2,-0.6 -0.988 33.2-118.4-150.8 150.6 40.7 39.7 15.8 9 12 A E 0 0 169 -2,-0.3 -2,-0.0 3,-0.3 5,-0.0 -0.848 360.0 360.0 -98.8 118.9 39.1 42.2 18.3 10 13 A L 0 0 71 -2,-0.6 -1,-0.1 13,-0.1 13,-0.0 -0.002 360.0 360.0-135.7 360.0 35.5 42.9 18.2 11 ! 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 12 17 A I 0 0 131 0, 0.0 -3,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 78.0 39.7 38.6 20.7 13 18 A W E -A 8 0A 13 -5,-2.3 -5,-2.4 1,-0.0 2,-0.5 -0.514 360.0-160.8 -68.8 138.0 37.5 36.4 18.5 14 19 A E E +A 7 0A 59 -7,-0.2 -7,-0.2 -2,-0.2 -1,-0.0 -0.912 23.6 159.7-128.7 99.9 39.5 33.4 17.1 15 20 A V E -A 6 0A 0 -9,-1.7 -9,-2.5 -2,-0.5 2,-0.1 -0.839 44.2 -91.0-121.9 156.4 37.8 32.0 14.0 16 21 A P E > -A 5 0A 3 0, 0.0 3,-2.1 0, 0.0 -11,-0.3 -0.384 40.8-113.6 -61.2 145.5 38.7 29.8 11.0 17 22 A E T 3 S+ 0 0 91 -13,-2.4 22,-0.2 1,-0.3 -12,-0.1 0.698 108.7 77.4 -54.8 -25.1 39.9 31.6 7.9 18 23 A R T 3 S+ 0 0 60 -14,-0.3 21,-2.7 1,-0.1 2,-0.6 0.845 85.1 71.7 -57.5 -31.3 36.8 30.5 6.0 19 24 A Y E < +B 38 0B 0 -3,-2.1 2,-0.2 19,-0.2 19,-0.2 -0.781 69.7 167.6 -92.9 115.2 34.9 33.2 7.9 20 25 A Q E +B 37 0B 61 17,-2.6 17,-2.9 -2,-0.6 -2,-0.0 -0.755 45.0 38.5-122.5 165.9 35.8 36.7 6.7 21 26 A N E S- 0 0 112 -2,-0.2 -1,-0.2 15,-0.2 14,-0.1 0.874 71.4-162.1 64.9 39.8 34.5 40.3 7.0 22 27 A L E + 0 0 16 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.346 15.8 171.6 -60.2 131.3 33.5 39.9 10.7 23 28 A S E -B 35 0B 58 12,-2.2 12,-3.2 -2,-0.1 -13,-0.1 -0.949 33.2-115.8-147.5 120.6 31.0 42.7 11.7 24 29 A P E -B 34 0B 80 0, 0.0 2,-0.3 0, 0.0 10,-0.3 -0.225 35.4-168.3 -62.7 138.8 29.1 42.9 15.0 25 30 A V E +B 33 0B 41 8,-2.8 8,-0.5 1,-0.1 3,-0.5 -0.895 57.7 9.1-129.2 158.8 25.3 42.7 14.8 26 31 A G E > S- 0 0 37 -2,-0.3 3,-1.7 1,-0.2 5,-0.1 0.329 90.0-124.5 62.2 -4.6 22.2 43.3 17.1 27 32 A S E 3 S- 0 0 119 1,-0.2 -1,-0.2 6,-0.2 5,-0.1 0.854 79.2 -22.1 15.6 85.9 24.6 44.9 19.6 28 33 A G E > S+B 31 0B 57 3,-0.9 3,-0.9 -3,-0.5 -1,-0.2 -0.007 113.0 100.3 95.4 -28.0 23.9 42.8 22.7 29 34 A A T < S+ 0 0 79 -3,-1.7 -2,-0.1 1,-0.3 -3,-0.1 0.861 98.8 24.5 -62.1 -39.4 20.4 41.5 21.7 30 35 A Y T 3 S- 0 0 118 1,-0.5 2,-0.3 -5,-0.3 -1,-0.3 0.200 119.0-108.0-108.8 15.7 21.6 38.1 20.6 31 36 A G E < S-B 28 0B 32 -3,-0.9 2,-1.1 -5,-0.1 -3,-0.9 -0.700 78.6 -15.3 91.6-149.9 24.7 38.1 22.7 32 37 A S E S+ C 0 49B 58 17,-0.5 17,-2.2 -2,-0.3 2,-0.4 -0.794 85.6 158.5 -92.6 98.3 28.1 38.5 21.0 33 38 A V E -BC 25 48B 17 -2,-1.1 -8,-2.8 -8,-0.5 2,-0.4 -0.988 22.3-166.6-127.0 133.5 27.2 37.9 17.4 34 39 A C E -BC 24 47B 1 13,-3.0 13,-3.6 -2,-0.4 2,-0.2 -0.951 19.1-133.5-116.2 138.4 29.0 38.9 14.2 35 40 A A E +BC 23 46B 1 -12,-3.2 -12,-2.2 -2,-0.4 2,-0.3 -0.578 39.7 168.7 -75.3 150.4 27.8 38.8 10.6 36 41 A A E - C 0 45B 0 9,-2.6 9,-2.7 -14,-0.2 2,-0.5 -0.960 37.3-111.0-156.2 167.6 30.4 37.2 8.4 37 42 A F E -BC 20 44B 77 -17,-2.9 -17,-2.6 -2,-0.3 2,-1.0 -0.965 22.4-146.7-110.8 122.8 31.0 35.8 4.9 38 43 A D E >> -BC 19 43B 0 5,-3.2 4,-2.2 -2,-0.5 5,-0.9 -0.788 10.4-169.3 -88.1 102.1 31.6 32.1 4.6 39 44 A T T 45S+ 0 0 76 -21,-2.7 -1,-0.2 -2,-1.0 -20,-0.1 0.692 81.8 62.3 -66.3 -18.9 34.0 31.7 1.7 40 45 A K T 45S+ 0 0 161 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.886 121.4 18.4 -74.0 -41.8 33.5 27.9 1.7 41 46 A T T 45S- 0 0 72 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.1 0.549 98.0-121.2-105.2 -13.8 29.8 28.1 0.8 42 47 A G T <5 + 0 0 45 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.647 69.4 136.2 72.1 18.3 29.4 31.7 -0.5 43 48 A L E < -C 38 0B 67 -5,-0.9 -5,-3.2 59,-0.0 2,-0.5 -0.722 60.9-124.6-102.7 145.6 26.9 32.4 2.3 44 49 A R E -C 37 0B 139 -2,-0.3 59,-2.2 -7,-0.2 2,-0.3 -0.769 43.9-177.5 -77.1 126.2 26.4 35.3 4.6 45 50 A V E -CD 36 102B 0 -9,-2.7 -9,-2.6 -2,-0.5 2,-0.5 -0.824 29.0-130.4-125.8 164.9 26.5 33.8 8.2 46 51 A A E -CD 35 101B 13 55,-2.8 55,-1.7 -2,-0.3 2,-0.5 -0.975 19.9-158.5-114.2 127.3 26.1 34.9 11.8 47 52 A V E -CD 34 100B 0 -13,-3.6 -13,-3.0 -2,-0.5 2,-0.5 -0.942 5.6-164.6-109.6 121.0 28.8 33.7 14.2 48 53 A K E -CD 33 99B 61 51,-3.1 51,-3.0 -2,-0.5 2,-0.7 -0.939 6.5-158.9-108.7 124.2 27.9 33.6 17.9 49 54 A K E -CD 32 98B 50 -17,-2.2 -17,-0.5 -2,-0.5 49,-0.2 -0.912 25.6-127.9 -98.0 112.0 30.6 33.4 20.5 50 55 A L - 0 0 12 47,-2.3 2,-0.5 -2,-0.7 47,-0.3 -0.349 23.3-119.6 -60.2 137.2 29.1 32.0 23.7 51 56 A S S S- 0 0 76 1,-0.2 -1,-0.1 2,-0.1 45,-0.0 -0.723 77.6 -27.0 -81.1 126.3 29.8 34.2 26.8 52 57 A R S > S+ 0 0 159 -2,-0.5 3,-1.8 1,-0.1 4,-0.3 0.833 76.9 179.5 45.3 49.0 31.7 32.6 29.7 53 58 A P T 3 S+ 0 0 7 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.741 74.0 29.2 -63.6 -28.1 30.4 29.2 28.7 54 59 A F T 3 S+ 0 0 27 41,-0.3 -2,-0.1 1,-0.1 265,-0.1 0.047 83.1 111.9-118.7 26.4 32.1 27.1 31.4 55 60 A Q S < S+ 0 0 113 -3,-1.8 2,-0.3 1,-0.1 -1,-0.1 0.756 89.8 2.5 -64.2 -29.5 32.4 29.7 34.2 56 61 A S S > S- 0 0 37 -4,-0.3 4,-2.8 -3,-0.2 5,-0.2 -0.954 79.7 -98.4-152.2 163.3 29.8 27.8 36.3 57 62 A I H > S+ 0 0 80 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.945 125.3 47.4 -48.1 -53.7 27.8 24.6 36.4 58 63 A I H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.855 112.3 47.9 -63.8 -38.4 24.8 26.6 35.2 59 64 A H H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 114.0 49.5 -63.1 -43.3 26.7 28.3 32.4 60 65 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.886 111.7 46.4 -63.7 -42.7 28.1 24.9 31.4 61 66 A K H X S+ 0 0 23 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.902 112.5 51.3 -69.0 -41.9 24.6 23.3 31.4 62 67 A R H X S+ 0 0 147 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.861 109.5 50.0 -60.7 -39.2 23.3 26.3 29.4 63 68 A T H X S+ 0 0 7 -4,-2.3 4,-2.4 -10,-0.4 5,-0.2 0.942 112.4 46.8 -63.8 -47.1 26.1 25.9 26.9 64 69 A Y H X S+ 0 0 11 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.920 112.4 51.1 -60.1 -44.2 25.4 22.2 26.5 65 70 A R H X S+ 0 0 80 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.890 110.9 47.1 -60.0 -45.2 21.6 22.9 26.2 66 71 A E H X S+ 0 0 59 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.917 114.3 46.5 -66.6 -45.2 22.1 25.5 23.4 67 72 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.919 113.2 49.4 -62.3 -45.4 24.5 23.3 21.4 68 73 A R H X S+ 0 0 39 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.924 112.6 47.5 -60.0 -46.4 22.3 20.2 21.7 69 74 A L H X S+ 0 0 47 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.944 114.0 44.6 -62.9 -51.4 19.2 22.0 20.6 70 75 A L H < S+ 0 0 27 -4,-2.3 11,-0.9 1,-0.2 -1,-0.2 0.837 112.1 53.4 -65.2 -34.6 20.8 23.8 17.6 71 76 A K H < S+ 0 0 36 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.833 112.1 46.5 -66.7 -32.8 22.5 20.5 16.5 72 77 A H H < S+ 0 0 36 -4,-1.9 2,-0.9 -5,-0.2 230,-0.2 0.814 90.4 89.8 -77.0 -33.3 19.1 18.7 16.6 73 78 A M < + 0 0 10 -4,-1.9 2,-0.4 -5,-0.1 8,-0.3 -0.565 45.4 160.1 -77.1 104.8 17.1 21.3 14.8 74 79 A K + 0 0 156 -2,-0.9 2,-0.3 6,-0.1 5,-0.1 -0.777 28.1 112.5-127.4 84.8 17.3 20.4 11.1 75 80 A H > - 0 0 22 3,-0.5 3,-1.5 -2,-0.4 57,-0.0 -0.991 69.3-120.5-157.1 142.2 14.4 22.1 9.2 76 81 A E T 3 S+ 0 0 121 -2,-0.3 4,-0.1 1,-0.2 56,-0.1 0.754 114.0 44.6 -58.2 -29.3 14.0 24.9 6.6 77 82 A N T 3 S+ 0 0 8 83,-0.1 84,-2.6 51,-0.1 2,-0.4 0.109 104.9 71.2-106.6 20.7 11.9 27.0 9.0 78 83 A V B < S-f 161 0C 9 -3,-1.5 -3,-0.5 82,-0.3 2,-0.2 -0.999 86.0-110.9-134.7 135.8 14.0 26.6 12.2 79 84 A I + 0 0 21 82,-3.0 2,-0.2 -2,-0.4 -6,-0.1 -0.502 51.2 158.5 -64.8 126.2 17.4 28.1 13.0 80 85 A G - 0 0 13 -2,-0.2 2,-0.5 -4,-0.1 22,-0.2 -0.688 39.9 -70.6-131.2-163.6 20.0 25.3 13.1 81 86 A L + 0 0 18 -11,-0.9 20,-0.2 -8,-0.3 3,-0.1 -0.811 27.7 173.3-107.7 127.1 23.8 25.0 12.8 82 87 A L S S- 0 0 23 18,-2.5 2,-0.3 -2,-0.5 19,-0.2 0.703 82.0 -8.1 -83.2 -32.7 26.0 25.4 9.7 83 88 A D E -E 100 0B 22 17,-1.3 17,-2.4 248,-0.1 2,-0.4 -0.989 51.1-161.7-162.4 152.0 29.1 25.0 11.9 84 89 A V E +E 99 0B 9 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.984 26.5 168.6-138.8 133.2 30.4 24.8 15.4 85 90 A F E -E 98 0B 13 13,-2.1 13,-2.6 -2,-0.4 -2,-0.0 -0.983 23.0-167.0-146.2 156.8 34.0 25.4 16.3 86 91 A T - 0 0 17 -2,-0.3 11,-0.1 2,-0.2 -71,-0.1 -0.994 26.7-137.5-135.5 141.6 36.5 25.9 19.0 87 92 A P S S+ 0 0 10 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 0.742 77.8 108.3 -63.0 -22.9 40.1 27.2 18.7 88 93 A A - 0 0 11 8,-0.3 -2,-0.2 1,-0.1 3,-0.1 -0.263 53.4-166.7 -52.5 137.9 40.9 24.4 21.3 89 94 A R S S+ 0 0 176 1,-0.0 2,-0.3 -87,-0.0 -1,-0.1 0.261 75.7 20.8-107.2 6.2 42.9 21.4 20.0 90 95 A S S > S- 0 0 47 1,-0.1 4,-0.6 0, 0.0 3,-0.2 -0.964 82.9-103.6-158.0 173.5 42.0 19.4 23.2 91 96 A L T >4 S+ 0 0 69 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.915 118.6 55.0 -68.8 -46.9 39.6 19.2 26.2 92 97 A E T 34 S+ 0 0 172 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.712 113.5 44.9 -59.1 -20.0 42.1 20.7 28.7 93 98 A E T 34 S+ 0 0 89 -3,-0.2 2,-0.5 3,-0.0 -1,-0.3 0.600 86.2 115.8 -93.2 -16.9 42.4 23.6 26.2 94 99 A F << + 0 0 0 -3,-1.1 3,-0.1 -4,-0.6 229,-0.1 -0.401 20.3 125.3 -72.0 109.9 38.7 24.0 25.6 95 100 A N + 0 0 93 -2,-0.5 2,-0.4 1,-0.2 -41,-0.3 0.403 58.5 62.5-136.4 -6.8 37.3 27.3 26.8 96 101 A D - 0 0 55 -3,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.975 52.6-169.7-130.7 142.7 35.5 28.9 23.8 97 102 A V - 0 0 0 -2,-0.4 -47,-2.3 -47,-0.3 2,-0.4 -0.988 3.9-169.7-134.6 124.0 32.5 27.8 21.8 98 103 A Y E -DE 49 85B 1 -13,-2.6 -13,-2.1 -2,-0.4 2,-0.4 -0.941 3.9-161.8-116.4 132.1 31.4 29.4 18.5 99 104 A L E -DE 48 84B 7 -51,-3.0 -51,-3.1 -2,-0.4 2,-0.4 -0.895 4.1-161.0-110.9 145.5 28.1 28.7 16.7 100 105 A V E +DE 47 83B 0 -17,-2.4 -18,-2.5 -2,-0.4 -17,-1.3 -0.983 18.5 155.9-127.5 131.6 27.4 29.5 13.0 101 106 A T E -D 46 0B 24 -55,-1.7 -55,-2.8 -2,-0.4 -20,-0.1 -0.912 50.5 -66.7-141.9 168.1 24.0 29.8 11.3 102 107 A H E -D 45 0B 68 -2,-0.3 2,-1.1 -22,-0.2 -57,-0.3 -0.370 43.7-128.4 -52.4 132.1 22.4 31.6 8.2 103 108 A L + 0 0 41 -59,-2.2 -59,-0.2 1,-0.2 -1,-0.1 -0.789 29.3 179.1 -81.2 100.5 22.4 35.3 8.4 104 109 A M - 0 0 24 -2,-1.1 51,-0.2 50,-0.1 -1,-0.2 0.948 27.1-142.6 -70.9 -45.2 18.8 36.0 7.7 105 110 A G + 0 0 65 -3,-0.2 2,-0.3 1,-0.1 49,-0.1 0.260 63.2 26.7 110.4 -11.3 19.2 39.8 8.0 106 111 A A E -G 153 0C 32 47,-0.6 47,-2.0 43,-0.0 2,-0.2 -0.964 64.6-129.8-166.5 167.6 16.0 40.9 9.7 107 112 A D E >> -G 152 0C 21 -2,-0.3 4,-0.7 45,-0.3 3,-0.5 -0.698 43.7 -86.9-125.3-176.7 13.2 39.8 11.9 108 113 A L H >> S+ 0 0 1 40,-2.0 3,-3.0 43,-1.1 4,-1.8 0.945 121.5 60.7 -65.7 -51.4 9.4 40.0 11.5 109 114 A N H 3> S+ 0 0 76 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.852 103.9 55.7 -30.1 -49.2 8.9 43.5 13.0 110 115 A N H <4 S+ 0 0 72 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.737 108.6 46.6 -62.4 -28.0 11.2 44.6 10.1 111 116 A I H << S+ 0 0 48 -3,-3.0 -1,-0.2 -4,-0.7 -2,-0.2 0.816 116.1 40.4 -87.2 -33.9 8.9 43.1 7.5 112 117 A V H >< S- 0 0 15 -4,-1.8 3,-1.3 -3,-0.2 -2,-0.2 0.919 77.4-164.2 -81.8 -46.0 5.6 44.3 8.7 113 118 A K T 3< S- 0 0 147 -4,-2.5 3,-0.1 -5,-0.3 -3,-0.1 0.782 71.7 -65.5 63.6 28.7 6.6 47.9 9.7 114 119 A C T 3 S+ 0 0 104 -5,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.633 112.5 120.7 70.5 14.9 3.4 48.2 11.7 115 120 A Q S < S- 0 0 130 -3,-1.3 2,-0.4 1,-0.1 85,-0.4 -0.591 72.5 -91.7-108.6 165.0 1.5 48.0 8.3 116 121 A K - 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0 0 19 -5,-1.3 2,-0.5 42,-0.0 -1,-0.3 -0.935 42.3-157.4-112.7 139.8 9.8 21.0 22.6 142 147 A I - 0 0 25 -2,-0.4 41,-0.1 1,-0.2 42,-0.1 -0.978 6.4-155.3-111.6 127.6 7.6 23.9 23.5 143 148 A H - 0 0 25 -2,-0.5 -1,-0.2 40,-0.2 40,-0.0 0.974 16.3-174.4 -65.7 -56.2 9.0 27.3 22.3 144 149 A R + 0 0 125 39,-0.2 27,-0.1 1,-0.1 -1,-0.1 0.147 68.9 52.9 85.2 -16.3 7.2 29.3 25.0 145 150 A D + 0 0 38 18,-0.1 2,-0.3 25,-0.1 5,-0.1 -0.268 65.2 163.9-144.4 51.3 8.2 32.8 23.8 146 151 A L + 0 0 1 23,-0.1 5,-0.1 3,-0.1 47,-0.0 -0.578 18.5 138.8 -72.6 129.7 7.2 33.0 20.1 147 152 A K > - 0 0 34 -2,-0.3 3,-1.1 21,-0.0 -39,-0.2 -0.957 66.9 -88.4-162.2 167.9 7.1 36.6 18.9 148 153 A P G > S+ 0 0 8 0, 0.0 -40,-2.0 0, 0.0 3,-1.5 0.838 122.9 57.1 -57.8 -33.6 8.1 38.7 15.9 149 154 A S G 3 S+ 0 0 45 1,-0.3 -3,-0.1 -42,-0.2 -43,-0.0 0.692 105.1 53.4 -71.2 -21.7 11.7 39.3 17.2 150 155 A N G < S+ 0 0 15 -3,-1.1 12,-2.6 -5,-0.1 2,-0.5 0.178 92.6 83.2 -95.0 16.5 12.1 35.5 17.3 151 156 A L E < - H 0 161C 0 -3,-1.5 -43,-1.1 10,-0.2 2,-0.3 -0.922 68.0-157.7-122.7 106.9 11.1 35.0 13.7 152 157 A A E +GH 107 160C 9 8,-3.0 8,-2.9 -2,-0.5 2,-0.3 -0.594 13.9 179.8 -86.9 139.8 14.0 35.6 11.3 153 158 A V E -GH 106 159C 0 -47,-2.0 -47,-0.6 -2,-0.3 6,-0.2 -0.991 14.7-151.8-141.6 142.7 13.2 36.4 7.7 154 159 A N > - 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0 0 1 -2,-0.2 4,-2.1 -27,-0.1 3,-0.6 -0.277 26.9-122.3 -59.5 144.5 -0.4 32.7 26.2 172 191 A P H 3> S+ 0 0 8 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.817 111.8 58.5 -63.8 -27.7 -2.5 33.8 29.1 173 192 A E H 34>S+ 0 0 17 2,-0.2 5,-2.3 1,-0.2 6,-0.2 0.836 106.1 49.6 -67.7 -33.6 -1.6 30.5 31.1 174 193 A I H X45S+ 0 0 34 -3,-0.6 3,-2.1 3,-0.2 -1,-0.2 0.939 107.4 53.3 -67.1 -48.6 2.0 31.5 30.8 175 194 A M H 3<5S+ 0 0 25 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.837 112.6 47.0 -52.2 -35.8 1.2 35.1 32.1 176 195 A L T 3<5S- 0 0 95 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.255 112.1-118.8 -97.0 12.1 -0.5 33.4 35.1 177 196 A N T < 5 + 0 0 115 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.1 0.905 56.3 155.1 55.5 49.0 2.3 30.9 35.9 178 197 A W < - 0 0 99 -5,-2.3 -4,-0.1 1,-0.1 2,-0.1 0.896 23.6-168.2 -67.8 -46.3 0.1 27.8 35.2 179 198 A M + 0 0 97 -6,-0.2 3,-0.2 1,-0.1 -1,-0.1 -0.387 61.7 88.5 62.9-160.1 2.7 25.1 34.4 180 199 A H S S- 0 0 170 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.796 77.0-169.4 40.8 34.0 1.5 21.8 32.9 181 200 A Y - 0 0 44 1,-0.1 2,-0.2 2,-0.1 -1,-0.2 -0.192 16.4-141.7 -63.3 135.9 1.9 23.9 29.7 182 201 A N > - 0 0 59 -3,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.568 24.3-116.7 -82.9 154.5 0.5 22.6 26.4 183 202 A Q T > S+ 0 0 63 1,-0.3 3,-1.6 -2,-0.2 4,-0.5 0.757 109.3 79.7 -61.1 -23.8 2.4 23.0 23.1 184 203 A T T 3> + 0 0 16 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.520 67.3 83.8 -66.8 -5.4 -0.6 25.1 22.1 185 204 A V H <> S+ 0 0 2 -3,-1.9 4,-1.5 1,-0.2 -1,-0.3 0.946 93.0 49.3 -53.8 -44.2 0.9 28.0 24.1 186 205 A D H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.2 -1,-0.2 0.770 104.1 58.3 -66.3 -30.1 2.9 28.6 20.9 187 206 A I H > S+ 0 0 0 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.901 102.2 53.9 -66.5 -41.0 -0.3 28.4 18.9 188 207 A W H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.930 108.4 50.4 -52.8 -48.8 -1.7 31.3 20.9 189 208 A S H X S+ 0 0 3 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.912 107.9 51.9 -59.3 -44.4 1.4 33.3 20.0 190 209 A V H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -1,-0.2 0.908 107.9 52.8 -56.6 -45.6 0.9 32.5 16.3 191 210 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.903 109.6 47.9 -56.7 -46.2 -2.7 33.8 16.5 192 211 A C H X S+ 0 0 2 -4,-2.0 4,-1.9 -23,-0.2 11,-0.3 0.894 114.4 46.9 -62.6 -40.9 -1.5 37.1 18.0 193 212 A I H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.938 113.1 48.1 -66.1 -48.4 1.2 37.4 15.3 194 213 A M H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 5,-0.2 0.931 109.8 52.5 -59.1 -48.1 -1.2 36.6 12.5 195 214 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 6,-0.3 0.939 110.6 48.5 -53.4 -47.2 -3.8 39.0 13.8 196 215 A E H X S+ 0 0 26 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.897 108.3 52.3 -64.1 -40.8 -1.2 41.8 13.8 197 216 A L H < S+ 0 0 4 -4,-2.3 -80,-2.7 1,-0.2 -1,-0.2 0.886 113.9 45.3 -63.5 -38.5 0.1 41.1 10.2 198 217 A L H < S+ 0 0 15 -4,-2.2 -1,-0.2 -82,-0.2 -2,-0.2 0.838 125.9 26.9 -69.6 -39.7 -3.5 41.3 8.9 199 218 A T H < S- 0 0 41 -4,-2.0 -83,-0.2 2,-0.2 -2,-0.2 0.611 96.5-126.2-101.4 -18.6 -4.7 44.4 10.7 200 219 A G S < S+ 0 0 17 -4,-2.6 2,-0.4 -85,-0.4 -3,-0.1 0.612 77.9 97.8 76.0 12.5 -1.3 46.2 11.2 201 220 A R S S- 0 0 177 -5,-0.3 -2,-0.2 -6,-0.3 -1,-0.2 -0.995 82.8-101.3-136.7 142.4 -2.0 46.5 15.0 202 221 A T - 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0 0 1 -4,-1.4 -1,-0.2 26,-0.4 -2,-0.1 0.122 35.4 -54.1 74.2 167.6 -14.5 36.1 26.8 222 241 A T S S- 0 0 26 24,-1.7 26,-0.1 1,-0.1 50,-0.1 -0.528 76.1 -77.4 -74.0 148.6 -14.4 35.0 30.4 223 242 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.180 47.0-135.8 -49.5 133.6 -13.8 31.2 31.1 224 243 A G > - 0 0 43 -3,-0.1 4,-2.2 1,-0.1 3,-0.4 -0.295 32.1 -94.6 -80.6 176.1 -16.8 28.9 30.5 225 244 A A H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.873 124.2 59.6 -61.9 -38.2 -17.8 26.1 32.9 226 245 A E H 4 S+ 0 0 119 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.857 110.7 41.9 -59.4 -37.8 -15.8 23.5 30.8 227 246 A L H >4 S+ 0 0 27 -3,-0.4 3,-1.7 1,-0.2 -1,-0.2 0.920 111.4 54.6 -75.5 -41.6 -12.6 25.6 31.4 228 247 A L H >< S+ 0 0 22 -4,-2.2 3,-1.7 1,-0.3 -2,-0.2 0.825 96.6 65.1 -66.0 -30.9 -13.3 26.3 35.1 229 248 A K T 3< S+ 0 0 180 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.642 99.4 55.3 -66.6 -9.2 -13.7 22.6 35.9 230 249 A K T < S+ 0 0 90 -3,-1.7 2,-0.7 -4,-0.2 -1,-0.3 0.271 81.8 102.4-104.9 11.2 -10.0 22.1 35.1 231 250 A I < - 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0 0 122 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.559 48.6-113.0 -63.8 124.1 -18.3 40.3 35.2 245 264 A Q - 0 0 178 -2,-0.3 -1,-0.1 -4,-0.1 -24,-0.0 -0.364 37.6-172.6 -53.0 137.0 -19.1 37.6 32.6 246 265 A M - 0 0 63 -23,-0.1 -24,-1.7 -29,-0.1 2,-0.2 -0.990 17.5-128.5-130.4 145.2 -18.2 38.7 29.1 247 266 A P - 0 0 109 0, 0.0 -26,-0.4 0, 0.0 0, 0.0 -0.627 34.7 -92.2 -88.2 151.3 -19.0 36.8 26.0 248 267 A K - 0 0 120 -28,-0.3 -28,-0.2 -2,-0.2 2,-0.2 -0.301 46.9-119.1 -45.0 136.3 -16.5 35.9 23.3 249 268 A M - 0 0 84 -30,-3.1 2,-0.8 -3,-0.1 -1,-0.1 -0.559 26.7-106.1 -76.4 153.7 -16.4 38.7 20.7 250 269 A N >> - 0 0 80 -2,-0.2 4,-1.8 1,-0.2 3,-1.6 -0.753 25.5-156.1 -81.6 110.0 -17.3 37.7 17.1 251 270 A F H 3> S+ 0 0 1 -2,-0.8 4,-3.3 1,-0.3 -1,-0.2 0.799 90.1 67.6 -62.1 -28.9 -14.0 37.7 15.4 252 271 A A H 34 S+ 0 0 46 2,-0.2 -1,-0.3 1,-0.2 5,-0.2 0.833 105.9 40.4 -56.8 -36.7 -15.8 38.3 12.1 253 272 A N H X4 S+ 0 0 109 -3,-1.6 3,-0.9 1,-0.1 -2,-0.2 0.898 116.5 50.5 -78.8 -41.4 -16.8 41.8 13.3 254 273 A V H 3< S+ 0 0 58 -4,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.886 117.6 37.2 -61.7 -46.2 -13.3 42.4 14.9 255 274 A F T >< S+ 0 0 9 -4,-3.3 3,-1.7 -5,-0.2 -1,-0.3 -0.311 85.3 174.2-103.3 50.8 -11.3 41.4 11.8 256 275 A I T < + 0 0 140 -3,-0.9 3,-0.1 1,-0.3 -3,-0.1 -0.288 65.8 25.7 -66.5 142.4 -13.7 42.9 9.2 257 276 A G T 3 S+ 0 0 78 1,-0.4 -1,-0.3 -5,-0.2 -4,-0.1 -0.118 94.7 125.3 95.0 -32.8 -12.4 42.8 5.6 258 277 A A S < S- 0 0 29 -3,-1.7 -1,-0.4 1,-0.1 -3,-0.0 -0.132 78.3 -88.7 -56.2 151.1 -10.2 39.8 6.5 259 278 A N > - 0 0 47 1,-0.1 4,-2.0 -3,-0.1 3,-0.5 -0.429 37.5-130.9 -51.3 128.8 -10.4 36.6 4.5 260 279 A P H > S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.766 109.1 55.5 -63.3 -27.2 -13.1 34.5 6.3 261 280 A L H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 27,-0.2 0.833 105.9 51.8 -70.6 -33.1 -10.8 31.5 6.3 262 281 A A H > S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.936 111.4 47.5 -63.2 -44.4 -8.2 33.7 8.1 263 282 A V H X S+ 0 0 12 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.906 110.5 51.6 -61.3 -46.0 -10.9 34.7 10.7 264 283 A D H X S+ 0 0 44 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.915 110.4 49.1 -59.3 -42.8 -11.9 31.0 11.1 265 284 A L H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.888 109.8 51.1 -65.8 -38.3 -8.3 30.1 11.7 266 285 A L H >X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.7 0.915 105.7 56.2 -65.7 -41.2 -7.9 32.9 14.3 267 286 A E H 3< S+ 0 0 53 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.850 109.7 47.2 -53.6 -36.5 -11.1 31.6 16.0 268 287 A K H 3< S+ 0 0 88 -4,-1.4 10,-2.3 -5,-0.2 -1,-0.2 0.652 116.8 40.8 -83.5 -19.1 -9.4 28.2 16.3 269 288 A M H << S+ 0 0 0 -4,-1.0 2,-0.8 -3,-0.7 -2,-0.2 0.786 107.5 59.9 -94.6 -36.1 -6.0 29.5 17.6 270 289 A L S < S+ 0 0 3 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.388 70.6 132.8 -97.3 51.7 -7.2 32.2 20.0 271 290 A V - 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