==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JUN-09 3HUC . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GRUETTER,J.R.SIMARD,M.GETLIK,D.RAUH . 337 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 62.6 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 . 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 . 20 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 28.5 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 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 . 0 1 2 0 2 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 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 0 160 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.9 43.0 -17.3 -28.0 2 5 A R - 0 0 105 1,-0.1 3,-0.0 89,-0.0 89,-0.0 -0.580 360.0-113.5 -71.0 131.6 42.5 -14.5 -25.5 3 6 A P - 0 0 68 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.245 29.1-108.3 -60.1 154.0 41.7 -11.2 -27.2 4 7 A T - 0 0 89 1,-0.0 15,-2.5 0, 0.0 16,-0.3 -0.771 40.4-154.9 -83.7 130.4 44.3 -8.4 -27.0 5 8 A F E -A 18 0A 34 -2,-0.5 2,-0.3 13,-0.3 11,-0.0 -0.622 7.1-154.1-101.2 159.5 43.0 -5.8 -24.7 6 9 A Y E -A 17 0A 56 11,-2.7 11,-2.3 -2,-0.2 2,-0.4 -0.957 12.2-130.0-131.0 161.2 43.8 -2.1 -24.4 7 10 A R E +A 16 0A 165 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.868 28.3 164.4-113.1 139.0 43.6 0.4 -21.6 8 11 A Q E -A 15 0A 73 7,-2.3 7,-3.3 -2,-0.4 2,-0.4 -0.965 36.2-124.2-155.3 134.1 41.9 3.8 -21.6 9 12 A E E +A 14 0A 129 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.674 46.1 151.5 -78.9 128.1 40.8 6.3 -18.9 10 13 A L + 0 0 31 3,-2.2 2,-0.3 -2,-0.4 -1,-0.2 0.758 66.5 12.2-126.8 -71.9 37.1 7.0 -19.4 11 14 A N S S- 0 0 41 2,-0.3 3,-0.1 23,-0.0 -2,-0.0 -0.604 128.5 -68.8-108.9 61.5 34.7 8.0 -16.6 12 15 A K S S+ 0 0 189 -2,-0.3 2,-0.3 1,-0.2 -3,-0.1 0.818 118.5 88.1 49.3 40.1 37.7 8.6 -14.3 13 16 A T S S- 0 0 62 -5,-0.1 -3,-2.2 2,-0.0 2,-0.6 -0.939 86.4-101.1-145.3 158.9 38.7 4.9 -14.1 14 17 A I E -A 9 0A 74 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.749 35.3-157.4 -82.6 117.5 40.9 2.8 -16.3 15 18 A W E -A 8 0A 2 -7,-3.3 -7,-2.3 -2,-0.6 2,-0.5 -0.756 4.2-163.1 -87.6 141.7 38.8 0.6 -18.7 16 19 A E E +A 7 0A 63 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.966 24.5 159.2-127.7 111.2 40.5 -2.5 -20.1 17 20 A V E -A 6 0A 2 -11,-2.3 -11,-2.7 -2,-0.5 2,-0.1 -0.918 46.1 -88.6-133.6 152.8 38.6 -3.8 -23.2 18 21 A P E > -A 5 0A 3 0, 0.0 3,-2.3 0, 0.0 -13,-0.3 -0.384 40.1-119.5 -58.9 142.7 39.2 -6.0 -26.2 19 22 A E T 3 S+ 0 0 105 -15,-2.5 22,-0.2 1,-0.3 -14,-0.1 0.744 107.5 77.6 -60.4 -21.4 40.5 -4.0 -29.2 20 23 A R T 3 S+ 0 0 70 -16,-0.3 21,-2.6 1,-0.1 2,-0.8 0.845 82.8 74.9 -54.3 -32.0 37.5 -5.1 -31.2 21 24 A Y E < S-B 40 0B 0 -3,-2.3 2,-0.3 19,-0.2 3,-0.2 -0.760 75.3-173.9 -89.9 109.9 35.6 -2.3 -29.2 22 25 A Q E +B 39 0B 73 17,-2.9 17,-2.7 -2,-0.8 -2,-0.0 -0.707 46.5 11.8-108.4 151.9 36.7 1.0 -30.6 23 26 A N E - 0 0 129 -2,-0.3 -1,-0.2 15,-0.2 2,-0.1 0.930 69.8-155.6 57.3 57.5 36.1 4.7 -29.8 24 27 A L E - 0 0 13 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.441 12.8-175.3 -67.7 135.3 34.6 4.4 -26.3 25 28 A S E -B 37 0B 69 12,-2.0 12,-3.0 -2,-0.1 -15,-0.1 -0.978 28.1-117.6-135.2 116.8 32.5 7.4 -25.5 26 29 A P E +B 36 0B 69 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.235 38.9 164.2 -56.6 138.7 30.9 7.8 -22.0 27 30 A V E - 0 0 96 8,-2.7 2,-0.3 1,-0.4 9,-0.2 0.391 58.6 -1.0-134.0 -4.4 27.1 7.9 -22.1 28 31 A G E -B 35 0B 31 7,-1.1 7,-3.0 2,-0.0 -1,-0.4 -0.904 51.0-175.5 173.1 148.3 26.0 7.2 -18.5 29 32 A S E +B 34 0B 83 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.980 18.7 129.5-155.5 159.1 27.0 6.6 -15.0 30 33 A G E > S-B 33 0B 38 3,-1.8 3,-0.6 -2,-0.3 -2,-0.0 -0.959 72.6 -53.7 175.9-168.6 25.5 5.8 -11.6 31 34 A A T 3 S+ 0 0 101 -2,-0.3 22,-0.2 1,-0.2 3,-0.1 0.858 127.4 61.4 -59.3 -38.1 25.7 3.4 -8.7 32 35 A Y T 3 S- 0 0 113 1,-0.2 21,-2.2 20,-0.1 2,-0.3 0.831 120.0 -94.4 -55.2 -38.0 25.3 0.4 -11.1 33 36 A G E < -BC 30 52B 5 -3,-0.6 -3,-1.8 19,-0.3 2,-0.3 -0.984 48.1 -64.8 149.8-154.4 28.5 1.3 -13.0 34 37 A S E -BC 29 51B 11 17,-1.9 17,-2.6 -2,-0.3 2,-0.4 -0.989 35.4-150.0-138.8 149.0 29.3 3.3 -16.1 35 38 A V E -BC 28 50B 27 -7,-3.0 -8,-2.7 -2,-0.3 -7,-1.1 -0.934 8.4-171.5-120.8 137.9 28.4 2.8 -19.7 36 39 A C E -BC 26 49B 0 13,-2.7 13,-3.3 -2,-0.4 2,-0.3 -0.961 22.9-128.9-121.7 146.7 30.3 3.8 -22.9 37 40 A A E +BC 25 48B 9 -12,-3.0 -12,-2.0 -2,-0.4 2,-0.3 -0.651 39.2 170.5 -81.1 149.9 29.0 3.7 -26.4 38 41 A A E - C 0 47B 3 9,-2.4 9,-2.5 -2,-0.3 2,-0.5 -0.955 35.5-115.1-152.2 166.4 31.5 1.9 -28.7 39 42 A F E -BC 22 46B 88 -17,-2.7 -17,-2.9 -2,-0.3 2,-1.0 -0.969 22.1-145.5-110.2 123.1 31.9 0.5 -32.2 40 43 A D E >>> -BC 21 45B 2 5,-3.2 4,-2.8 -2,-0.5 5,-0.9 -0.743 12.5-171.5 -87.5 102.9 32.3 -3.2 -32.4 41 44 A T T 345S+ 0 0 77 -21,-2.6 -1,-0.2 -2,-1.0 -20,-0.1 0.755 81.2 61.2 -67.4 -25.5 34.6 -3.7 -35.4 42 45 A K T 345S+ 0 0 162 -22,-0.2 -1,-0.2 1,-0.2 -21,-0.1 0.886 122.9 18.3 -68.0 -38.2 34.1 -7.5 -35.3 43 46 A T T <45S- 0 0 74 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.590 97.5-124.1-107.7 -16.6 30.3 -7.3 -35.9 44 47 A G T <5 + 0 0 43 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.705 66.6 136.0 73.0 21.2 30.0 -3.7 -37.3 45 48 A L E < -C 40 0B 61 -5,-0.9 -5,-3.2 59,-0.0 2,-0.5 -0.778 60.2-125.9-101.5 145.1 27.5 -2.9 -34.6 46 49 A R E -C 39 0B 169 -2,-0.3 59,-2.3 -7,-0.2 2,-0.3 -0.773 44.7-174.6 -76.7 128.2 27.2 0.2 -32.4 47 50 A V E -CD 38 104B 0 -9,-2.5 -9,-2.4 -2,-0.5 2,-0.5 -0.874 30.9-128.6-129.9 158.1 27.2 -1.2 -28.8 48 51 A A E -CD 37 103B 12 55,-2.8 55,-2.1 -2,-0.3 2,-0.5 -0.935 23.9-163.1-100.9 127.5 26.8 -0.2 -25.2 49 52 A V E -CD 36 102B 0 -13,-3.3 -13,-2.7 -2,-0.5 2,-0.5 -0.972 4.7-164.8-112.7 122.2 29.7 -1.4 -22.9 50 53 A K E -CD 35 101B 30 51,-3.0 51,-2.4 -2,-0.5 2,-0.7 -0.934 9.9-158.0-112.4 126.5 29.0 -1.4 -19.2 51 54 A K E -CD 34 100B 25 -17,-2.6 -17,-1.9 -2,-0.5 49,-0.2 -0.913 27.5-128.0 -99.4 114.2 31.7 -1.7 -16.6 52 55 A L E -C 33 0B 10 47,-2.6 2,-0.5 -2,-0.7 47,-0.3 -0.361 18.7-129.1 -62.4 140.4 30.1 -2.9 -13.4 53 56 A S S S- 0 0 43 -21,-2.2 4,-0.1 1,-0.2 -1,-0.1 -0.826 78.1 -19.1 -94.7 130.8 30.9 -0.8 -10.4 54 57 A R S > S+ 0 0 154 -2,-0.5 3,-1.6 1,-0.1 4,-0.3 0.831 76.6 173.7 50.4 46.7 32.1 -2.6 -7.2 55 58 A P T 3 S+ 0 0 7 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.737 75.9 28.1 -65.9 -22.4 30.8 -5.9 -8.5 56 59 A F T 3 S+ 0 0 21 41,-0.3 -2,-0.1 1,-0.1 268,-0.1 0.016 82.1 117.4-123.2 30.3 32.3 -8.0 -5.6 57 60 A Q S < S- 0 0 110 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.1 0.786 86.3 -3.3 -69.6 -29.6 32.4 -5.4 -2.8 58 61 A S S > S- 0 0 38 -4,-0.3 4,-2.9 -3,-0.1 5,-0.2 -0.939 81.2 -92.2-155.3 168.1 30.0 -7.4 -0.6 59 62 A I H > S+ 0 0 82 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.933 126.3 49.3 -54.8 -45.2 27.9 -10.5 -0.6 60 63 A I H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 111.6 46.9 -63.9 -45.9 24.9 -8.4 -1.8 61 64 A H H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 113.7 49.8 -56.7 -48.0 26.9 -6.8 -4.7 62 65 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.900 111.5 46.4 -63.0 -41.5 28.3 -10.2 -5.7 63 66 A K H X S+ 0 0 28 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.872 113.1 51.0 -69.8 -34.0 24.9 -11.8 -5.7 64 67 A R H X S+ 0 0 130 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.884 109.2 50.6 -66.1 -41.1 23.5 -8.9 -7.7 65 68 A T H X S+ 0 0 9 -4,-2.5 4,-2.4 -10,-0.4 -2,-0.2 0.944 113.1 45.6 -61.2 -48.8 26.3 -9.2 -10.2 66 69 A Y H X S+ 0 0 12 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.917 112.0 51.7 -60.0 -46.9 25.6 -12.9 -10.6 67 70 A R H X S+ 0 0 78 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.891 110.7 48.0 -56.7 -45.6 21.9 -12.3 -10.9 68 71 A E H X S+ 0 0 39 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.923 113.7 46.5 -66.9 -43.5 22.4 -9.7 -13.6 69 72 A L H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.923 112.8 49.0 -65.3 -44.0 24.7 -11.9 -15.6 70 73 A R H X S+ 0 0 36 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.916 113.5 47.6 -59.3 -45.3 22.5 -14.9 -15.3 71 74 A L H X S+ 0 0 44 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.940 113.5 45.9 -63.2 -48.7 19.4 -12.9 -16.5 72 75 A L H < S+ 0 0 10 -4,-2.6 11,-0.7 1,-0.2 -2,-0.2 0.876 111.3 53.0 -65.5 -36.4 21.2 -11.3 -19.4 73 76 A K H < S+ 0 0 36 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.838 110.8 49.1 -65.5 -30.3 22.7 -14.6 -20.5 74 77 A H H < S+ 0 0 36 -4,-1.6 2,-0.7 -5,-0.2 233,-0.3 0.859 87.9 88.9 -78.4 -36.1 19.2 -16.2 -20.5 75 78 A M < + 0 0 11 -4,-1.8 8,-0.4 -5,-0.1 2,-0.4 -0.541 43.1 159.3 -76.1 109.4 17.2 -13.6 -22.5 76 79 A K + 0 0 163 -2,-0.7 2,-0.3 6,-0.1 6,-0.1 -0.771 29.3 113.6-130.8 83.7 17.4 -14.5 -26.2 77 80 A H > - 0 0 16 3,-0.4 3,-1.7 -2,-0.4 57,-0.0 -0.987 68.7-122.1-156.4 142.2 14.5 -12.8 -27.9 78 81 A E T 3 S+ 0 0 103 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.762 112.5 45.6 -59.5 -28.2 14.2 -10.1 -30.5 79 82 A N T 3 S+ 0 0 10 83,-0.1 84,-2.5 2,-0.1 2,-0.4 0.140 105.0 71.8-105.8 19.7 12.0 -7.9 -28.2 80 83 A V B < S-f 163 0C 7 -3,-1.7 -3,-0.4 82,-0.3 84,-0.2 -0.996 91.4 -99.7-134.0 140.9 14.1 -8.3 -25.1 81 84 A I - 0 0 10 82,-2.6 2,-0.3 -2,-0.4 -6,-0.1 -0.322 49.4-175.0 -53.8 133.2 17.5 -6.9 -24.2 82 85 A G - 0 0 19 -4,-0.1 2,-0.6 -6,-0.1 22,-0.3 -0.829 27.2-101.4-129.5 173.4 20.2 -9.5 -24.7 83 86 A L + 0 0 13 -11,-0.7 20,-0.2 -8,-0.4 3,-0.1 -0.842 25.4 177.6-101.5 116.4 23.9 -10.0 -24.2 84 87 A L S S- 0 0 25 18,-2.5 2,-0.3 -2,-0.6 19,-0.2 0.783 74.6 -11.8 -78.8 -32.9 26.3 -9.6 -27.2 85 88 A D E -E 102 0B 21 17,-1.4 17,-2.9 251,-0.1 2,-0.3 -0.984 50.3-163.4-162.7 155.7 29.4 -10.1 -25.1 86 89 A V E +E 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.968 26.6 163.8-144.5 134.2 30.7 -10.4 -21.5 87 90 A F E -E 100 0B 10 13,-2.2 13,-2.3 -2,-0.3 245,-0.0 -0.983 25.0-159.9-149.1 161.9 34.3 -10.1 -20.7 88 91 A T - 0 0 3 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.995 24.2-138.6-138.5 142.5 37.0 -9.6 -18.1 89 92 A P S S+ 0 0 21 0, 0.0 -84,-0.1 0, 0.0 -1,-0.1 0.731 75.4 111.2 -66.9 -19.8 40.6 -8.5 -18.4 90 93 A A - 0 0 6 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.220 55.8-160.7 -55.5 135.3 41.4 -11.2 -15.7 91 94 A R S S+ 0 0 192 1,-0.1 2,-0.3 -89,-0.0 -1,-0.1 0.463 75.6 14.7 -95.7 -3.0 43.3 -14.2 -16.9 92 95 A S S S- 0 0 31 1,-0.1 3,-0.5 0, 0.0 4,-0.3 -0.975 82.5-101.4-158.8 165.3 42.2 -16.3 -13.9 93 96 A L S > S+ 0 0 58 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.886 118.3 64.0 -58.1 -39.6 39.7 -16.5 -11.1 94 97 A E T 3 S+ 0 0 165 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.877 110.6 35.1 -53.1 -41.9 42.5 -15.3 -8.8 95 98 A E T 3 S+ 0 0 94 -3,-0.5 2,-0.7 -6,-0.0 -1,-0.3 0.319 86.6 127.7 -97.7 11.3 42.8 -11.9 -10.6 96 99 A F < + 0 0 0 -3,-1.5 3,-0.1 -4,-0.3 232,-0.1 -0.550 17.1 128.0 -76.9 108.2 39.0 -11.6 -11.4 97 100 A N + 0 0 96 -2,-0.7 2,-0.3 1,-0.2 -41,-0.3 0.573 55.1 58.0-130.6 -24.5 37.9 -8.2 -10.2 98 101 A D - 0 0 53 -43,-0.1 2,-0.4 -44,-0.1 -8,-0.3 -0.887 53.8-165.0-123.7 143.9 36.1 -6.5 -13.1 99 102 A V - 0 0 0 -2,-0.3 -47,-2.6 -47,-0.3 2,-0.4 -0.999 4.6-170.1-129.1 127.2 33.0 -7.4 -15.2 100 103 A Y E -DE 51 87B 0 -13,-2.3 -13,-2.2 -2,-0.4 2,-0.4 -0.973 4.6-162.7-119.2 134.3 32.0 -5.8 -18.5 101 104 A L E -DE 50 86B 8 -51,-2.4 -51,-3.0 -2,-0.4 2,-0.4 -0.929 3.5-157.8-117.1 142.9 28.7 -6.4 -20.3 102 105 A V E +DE 49 85B 0 -17,-2.9 -18,-2.5 -2,-0.4 -17,-1.4 -0.967 20.1 153.0-125.7 131.9 28.0 -5.6 -23.9 103 106 A T E -D 48 0B 16 -55,-2.1 -55,-2.8 -2,-0.4 -20,-0.1 -0.875 52.4 -63.2-140.6 173.8 24.6 -5.0 -25.7 104 107 A H E -D 47 0B 65 -22,-0.3 2,-0.6 -2,-0.3 -57,-0.3 -0.345 54.8-113.7 -54.5 137.4 23.2 -3.2 -28.7 105 108 A L - 0 0 45 -59,-2.3 2,-0.5 -67,-0.1 -59,-0.1 -0.686 34.2-155.6 -73.9 122.3 23.5 0.5 -28.4 106 109 A M - 0 0 50 -2,-0.6 50,-0.1 1,-0.2 3,-0.1 -0.913 11.5-166.2-108.2 126.5 20.0 1.9 -28.1 107 110 A G + 0 0 82 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.934 63.7 8.7 -72.5 -50.9 19.4 5.4 -29.2 108 111 A A E -G 155 0C 29 47,-0.5 47,-2.3 3,-0.0 2,-0.2 -0.871 58.1-137.5-139.5 160.4 15.9 6.2 -27.8 109 112 A D E >> -G 154 0C 39 -2,-0.3 4,-1.2 45,-0.3 3,-0.8 -0.613 45.0 -88.9-114.3 176.1 13.2 5.0 -25.5 110 113 A L H 3> S+ 0 0 0 43,-2.0 4,-1.9 40,-1.4 3,-0.3 0.848 123.0 62.0 -58.8 -38.0 9.4 5.0 -25.9 111 114 A N H 3> S+ 0 0 54 39,-0.2 4,-3.2 1,-0.2 -1,-0.3 0.910 103.4 51.1 -47.5 -48.0 9.1 8.4 -24.4 112 115 A N H <4 S+ 0 0 81 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.833 108.6 50.0 -60.2 -39.6 11.2 9.9 -27.2 113 116 A I H < S+ 0 0 55 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.864 121.9 32.0 -69.7 -37.5 9.1 8.3 -30.0 114 117 A V H >< S- 0 0 12 -4,-1.9 3,-2.4 2,-0.1 -2,-0.2 0.883 74.3-178.8 -88.1 -44.0 5.8 9.5 -28.6 115 118 A K T 3< S- 0 0 157 -4,-3.2 -3,-0.1 -5,-0.3 3,-0.1 0.858 78.4 -54.8 33.3 57.7 6.8 12.9 -27.0 116 119 A C T 3 S+ 0 0 113 1,-0.2 2,-0.3 -5,-0.2 -1,-0.3 0.479 113.0 117.4 66.2 5.1 3.3 13.6 -25.7 117 120 A Q S < S- 0 0 139 -3,-2.4 88,-0.3 1,-0.1 -1,-0.2 -0.743 72.7-103.3 -99.9 148.5 1.7 13.2 -29.2 118 121 A K - 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0 0 37 -2,-0.4 -9,-0.1 1,-0.1 -10,-0.0 -0.352 28.9-144.5 -55.5 132.4 -0.7 9.7 -19.1 208 222 A L S S+ 0 0 35 -11,-0.4 -1,-0.1 1,-0.3 -34,-0.1 0.937 89.5 16.1 -69.1 -47.6 -3.6 7.5 -18.1 209 223 A F + 0 0 5 -36,-0.3 2,-2.2 2,-0.1 -1,-0.3 -0.685 69.9 175.9-128.1 72.4 -3.0 7.7 -14.3 210 224 A P - 0 0 58 0, 0.0 -37,-0.1 0, 0.0 7,-0.0 -0.404 17.5-173.4 -83.6 68.3 -0.7 10.7 -13.6 211 225 A G - 0 0 1 -2,-2.2 -38,-0.1 1,-0.1 3,-0.1 -0.315 23.8-149.0 -61.9 141.2 -0.8 10.4 -9.8 212 226 A T S S- 0 0 105 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.719 79.2 -3.8 -81.4 -27.6 0.9 13.2 -7.8 213 227 A D S > S- 0 0 85 1,-0.1 4,-2.0 -41,-0.0 -1,-0.1 -0.879 92.0 -76.7-152.8-174.3 1.7 10.8 -4.9 214 228 A H H > S+ 0 0 94 -2,-0.3 4,-1.3 1,-0.2 3,-0.1 0.912 126.6 39.4 -62.6 -48.4 1.2 7.3 -3.8 215 229 A I H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 111.9 57.3 -72.0 -38.7 -2.5 7.6 -2.6 216 230 A D H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.886 101.5 58.0 -54.6 -42.3 -3.4 9.9 -5.5 217 231 A Q H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.941 109.1 44.3 -53.0 -51.6 -2.2 7.1 -7.9 218 232 A L H X S+ 0 0 20 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.872 110.5 55.5 -60.7 -40.4 -4.7 4.7 -6.3 219 233 A K H X S+ 0 0 118 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.954 109.8 45.0 -58.9 -49.8 -7.5 7.4 -6.4 220 234 A L H X S+ 0 0 40 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.903 111.8 54.2 -63.1 -40.7 -7.1 7.9 -10.1 221 235 A I H >X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 3,-0.7 0.951 108.2 47.5 -54.6 -53.0 -7.0 4.2 -10.7 222 236 A L H 3X S+ 0 0 35 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.790 103.3 63.2 -67.2 -25.9 -10.3 3.5 -8.9 223 237 A R H 3< S+ 0 0 139 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.888 112.8 34.9 -62.7 -38.1 -12.1 6.3 -10.7 224 238 A L H << S+ 0 0 11 -4,-1.2 30,-2.9 -3,-0.7 -2,-0.2 0.929 128.7 31.4 -77.9 -50.6 -11.5 4.5 -14.0 225 239 A V H < S- 0 0 14 -4,-2.3 28,-0.3 28,-0.2 52,-0.3 0.400 106.7-121.1 -98.6 1.1 -11.9 0.8 -13.1 226 240 A G < - 0 0 1 -4,-1.5 -1,-0.2 26,-0.4 27,-0.1 0.015 36.4 -63.9 81.1 165.5 -14.4 1.2 -10.2 227 241 A T S S- 0 0 18 24,-1.8 26,-0.1 1,-0.1 50,-0.1 -0.496 79.0 -65.1 -79.3 161.2 -14.1 0.1 -6.6 228 242 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.213 52.2-135.1 -54.9 132.6 -13.7 -3.6 -5.9 229 243 A G > - 0 0 42 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.156 30.5 -96.4 -73.0 173.2 -16.6 -5.9 -6.7 230 244 A A H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.881 123.9 53.5 -61.5 -40.6 -18.0 -8.7 -4.5 231 245 A E H 4 S+ 0 0 126 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.878 112.0 45.4 -61.8 -40.3 -15.9 -11.4 -6.3 232 246 A L H >4 S+ 0 0 26 1,-0.2 3,-1.8 2,-0.2 -2,-0.2 0.908 107.9 55.7 -71.0 -41.1 -12.7 -9.4 -5.7 233 247 A L H >< S+ 0 0 36 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.824 97.1 65.8 -61.2 -30.5 -13.5 -8.6 -2.1 234 248 A K T 3< S+ 0 0 179 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.692 100.7 52.2 -60.1 -22.2 -13.9 -12.4 -1.4 235 249 A K T < S+ 0 0 93 -3,-1.8 2,-0.7 -4,-0.3 -1,-0.3 0.331 82.3 102.7-101.6 7.0 -10.2 -12.7 -2.2 236 250 A I < + 0 0 8 -3,-1.7 6,-0.1 1,-0.2 -3,-0.0 -0.817 40.9 179.3 -98.2 111.1 -8.8 -10.0 0.2 237 251 A S + 0 0 103 -2,-0.7 2,-0.4 4,-0.0 -1,-0.2 0.775 52.0 101.3 -80.6 -27.4 -7.3 -11.5 3.3 238 252 A S > - 0 0 49 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.442 56.6-160.2 -66.5 118.1 -6.2 -8.2 4.9 239 253 A E H > S+ 0 0 135 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.928 93.5 49.3 -61.3 -48.9 -8.6 -7.0 7.6 240 254 A S H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 112.6 48.0 -57.9 -44.8 -7.4 -3.4 7.3 241 255 A A H > S+ 0 0 32 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.922 111.5 49.0 -63.5 -46.1 -7.8 -3.4 3.5 242 256 A R H X S+ 0 0 78 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.933 112.3 48.0 -60.4 -46.9 -11.3 -4.9 3.6 243 257 A N H X S+ 0 0 89 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.892 113.2 48.0 -64.1 -40.8 -12.6 -2.5 6.2 244 258 A Y H < S+ 0 0 156 -4,-2.2 3,-0.5 -5,-0.2 4,-0.4 0.955 113.6 46.3 -61.9 -49.5 -11.1 0.4 4.3 245 259 A I H >< S+ 0 0 33 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.900 109.4 56.1 -58.7 -42.4 -12.7 -0.8 0.9 246 260 A Q H 3< S+ 0 0 119 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.826 104.5 53.7 -54.0 -37.2 -16.0 -1.4 2.7 247 261 A S T 3< S+ 0 0 83 -4,-1.3 2,-0.3 -3,-0.5 -1,-0.3 0.535 88.5 103.2 -77.5 -10.5 -16.0 2.3 3.9 248 262 A L S < S- 0 0 37 -3,-1.4 2,-0.4 -4,-0.4 3,-0.0 -0.560 80.1-118.0 -85.6 134.7 -15.5 3.6 0.4 249 263 A T - 0 0 123 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.598 46.0-108.9 -70.4 124.8 -18.5 5.1 -1.5 250 264 A Q - 0 0 163 -2,-0.4 -1,-0.1 -4,-0.1 -24,-0.0 -0.238 34.1-168.4 -62.8 141.0 -18.8 2.7 -4.5 251 265 A M - 0 0 61 -29,-0.1 -24,-1.8 -3,-0.0 2,-0.1 -0.993 19.2-129.4-122.8 136.3 -17.9 3.9 -8.0 252 266 A P - 0 0 111 0, 0.0 -26,-0.4 0, 0.0 2,-0.2 -0.421 34.5 -94.5 -76.1 162.4 -18.8 1.8 -11.0 253 267 A K - 0 0 94 -28,-0.3 -28,-0.2 -27,-0.1 -29,-0.1 -0.572 48.0-116.6 -66.5 138.0 -16.2 1.0 -13.6 254 268 A M - 0 0 84 -30,-2.9 2,-0.7 -2,-0.2 -1,-0.1 -0.368 25.2-104.2 -72.1 158.6 -16.3 3.6 -16.4 255 269 A N >> - 0 0 79 1,-0.2 3,-1.5 -2,-0.1 4,-0.5 -0.815 26.8-154.4 -83.6 113.1 -17.2 2.6 -19.9 256 270 A F H >> S+ 0 0 0 -2,-0.7 4,-3.6 1,-0.3 3,-0.6 0.777 92.3 64.6 -63.9 -27.5 -13.8 2.7 -21.7 257 271 A A H 34 S+ 0 0 48 1,-0.3 -1,-0.3 2,-0.2 5,-0.3 0.810 106.1 43.6 -62.3 -32.8 -15.6 3.4 -25.0 258 272 A N H <4 S+ 0 0 120 -3,-1.5 -1,-0.3 1,-0.1 3,-0.2 0.465 116.6 49.0 -89.3 -4.6 -16.7 6.7 -23.5 259 273 A V H << S+ 0 0 54 -3,-0.6 2,-1.4 -4,-0.5 -2,-0.2 0.840 109.4 47.5 -95.7 -49.0 -13.2 7.3 -22.1 260 274 A F S >< S- 0 0 9 -4,-3.6 3,-1.6 -5,-0.1 -1,-0.2 -0.587 85.7-164.2 -97.0 76.5 -11.1 6.5 -25.2 261 275 A I T 3 + 0 0 126 -2,-1.4 -3,-0.1 1,-0.3 3,-0.1 -0.371 68.4 6.4 -68.0 126.1 -13.1 8.6 -27.7 262 276 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 -5,-0.3 2,-0.1 0.450 95.0 137.4 85.9 -0.4 -12.4 8.0 -31.3 263 277 A A < - 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