==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-OCT-07 2RG6 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.SACK . 335 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 65.7 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 24 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 29.6 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 3 1 0 1 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 2 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 0 235 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 54.6 -25.2 -6.2 5.8 2 5 A R - 0 0 98 1,-0.1 3,-0.0 86,-0.0 86,-0.0 -0.364 360.0-128.9 -61.3 128.6 -24.6 -3.5 8.4 3 6 A P - 0 0 66 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.261 27.7 -96.5 -73.5 168.6 -24.1 -4.8 11.8 4 7 A T - 0 0 93 1,-0.0 15,-2.8 2,-0.0 16,-0.3 -0.741 43.8-152.9 -82.8 128.7 -26.1 -3.5 14.8 5 8 A F E -A 18 0A 26 -2,-0.5 2,-0.3 13,-0.3 11,-0.0 -0.675 6.6-157.3-100.6 157.8 -24.1 -0.9 16.7 6 9 A Y E -A 17 0A 55 11,-2.3 11,-1.9 -2,-0.2 2,-0.3 -0.964 10.4-137.3-134.2 149.5 -24.3 0.1 20.3 7 10 A R E +A 16 0A 159 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.842 27.2 156.6-110.0 145.1 -23.3 3.3 22.0 8 11 A Q E -A 15 0A 53 7,-1.7 7,-3.4 -2,-0.3 2,-0.5 -0.981 34.5-122.9-158.6 157.8 -21.4 3.9 25.3 9 12 A E E -A 14 0A 119 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.916 20.9-175.1-108.4 128.7 -19.3 6.6 27.0 10 13 A L E > -A 13 0A 32 3,-2.6 3,-1.5 -2,-0.5 15,-0.0 -0.880 66.3 -38.4-127.2 97.8 -15.8 5.7 28.2 11 14 A N T 3 S- 0 0 97 -2,-0.5 3,-0.0 1,-0.4 -2,-0.0 0.585 128.1 -31.7 9.2 84.4 -14.1 8.5 30.1 12 15 A K T 3 S+ 0 0 83 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 -0.696 115.5 79.1-139.4 45.4 -15.1 10.5 28.4 13 16 A T E < -A 10 0A 53 -3,-1.5 -3,-2.6 1,-0.0 2,-0.4 -0.774 68.8-103.3-113.2 159.7 -15.8 9.9 24.7 14 17 A I E -A 9 0A 48 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.656 29.9-165.9 -79.6 129.6 -18.6 8.2 22.8 15 18 A W E +A 8 0A 4 -7,-3.4 -7,-1.7 -2,-0.4 2,-0.5 -0.985 7.6 179.8-117.8 118.6 -17.7 4.7 21.5 16 19 A E E +A 7 0A 59 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.962 21.0 151.1-121.4 105.8 -20.2 3.4 18.9 17 20 A V E -A 6 0A 1 -11,-1.9 -11,-2.3 -2,-0.5 -2,-0.0 -0.912 49.1 -80.3-134.7 164.8 -19.2 -0.0 17.7 18 21 A P E > -A 5 0A 4 0, 0.0 3,-2.2 0, 0.0 -13,-0.3 -0.301 39.6-118.3 -65.0 147.6 -20.7 -3.2 16.4 19 22 A E T 3 S+ 0 0 104 -15,-2.8 19,-0.2 1,-0.3 -14,-0.1 0.768 108.7 80.7 -55.9 -23.3 -22.3 -5.6 18.9 20 23 A R T 3 S+ 0 0 69 -16,-0.3 18,-2.7 1,-0.1 2,-0.7 0.850 83.8 66.9 -47.6 -39.6 -19.6 -8.0 17.7 21 24 A Y E < S-B 37 0B 0 -3,-2.2 2,-0.2 16,-0.2 3,-0.2 -0.803 75.1-179.2 -94.5 115.1 -17.1 -6.2 19.9 22 25 A Q E +B 36 0B 69 14,-2.7 14,-3.0 -2,-0.7 -2,-0.0 -0.717 47.4 20.9-113.7 162.7 -17.9 -6.7 23.6 23 26 A N E S- 0 0 131 -2,-0.2 -1,-0.2 12,-0.2 2,-0.1 0.891 70.5-162.6 52.5 52.6 -16.6 -5.7 27.0 24 27 A L E - 0 0 18 -3,-0.2 11,-0.2 11,-0.1 -1,-0.2 -0.400 10.5-178.3 -65.4 138.2 -14.6 -2.6 25.9 25 28 A S E -B 34 0B 67 9,-2.3 9,-2.9 -2,-0.1 -15,-0.0 -0.989 29.9-112.5-139.3 127.1 -12.1 -1.5 28.4 26 29 A P E +B 33 0B 74 0, 0.0 7,-0.3 0, 0.0 -15,-0.0 -0.277 38.6 164.3 -61.2 144.2 -9.8 1.6 28.0 27 30 A V 0 0 86 5,-2.6 6,-0.2 1,-0.1 18,-0.0 0.501 360.0 360.0-131.2 -18.7 -6.1 0.9 27.6 28 31 A G 0 0 90 4,-1.6 4,-0.1 0, 0.0 -1,-0.1 -0.841 360.0 360.0-111.5 360.0 -4.7 4.1 26.2 29 ! 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 30 36 A G 0 0 66 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0-165.6 -6.7 8.3 19.0 31 37 A S E - C 0 48B 59 17,-1.9 17,-2.7 2,-0.0 2,-0.4 -0.891 360.0-150.1-114.6 145.5 -8.1 6.5 22.1 32 38 A V E - C 0 47B 37 -2,-0.4 -5,-2.6 15,-0.2 -4,-1.6 -0.960 13.6-176.2-125.1 142.9 -7.7 2.8 22.4 33 39 A C E -BC 26 46B 2 13,-2.5 13,-3.2 -2,-0.4 2,-0.3 -0.965 23.5-131.4-130.5 148.0 -9.8 0.1 24.1 34 40 A A E +BC 25 45B 20 -9,-2.9 -9,-2.3 -2,-0.3 2,-0.3 -0.693 38.6 171.2 -89.9 148.4 -9.2 -3.6 24.5 35 41 A A E - C 0 44B 5 9,-2.3 9,-2.9 -2,-0.3 2,-0.6 -0.974 36.1-108.5-152.4 167.6 -12.3 -5.7 23.5 36 42 A F E -BC 22 43B 82 -14,-3.0 -14,-2.7 -2,-0.3 2,-1.1 -0.906 23.7-144.7-105.7 121.2 -13.5 -9.2 22.9 37 43 A D E >>> -BC 21 42B 3 5,-2.9 4,-2.8 -2,-0.6 3,-0.8 -0.715 11.7-167.5 -85.0 97.2 -14.3 -10.1 19.3 38 44 A T T 345S+ 0 0 78 -18,-2.7 -1,-0.2 -2,-1.1 -17,-0.1 0.662 81.5 62.1 -61.3 -18.2 -17.3 -12.4 19.6 39 45 A K T 345S+ 0 0 160 -19,-0.2 -1,-0.2 1,-0.1 -18,-0.1 0.882 121.6 18.0 -74.0 -37.7 -16.9 -13.5 16.0 40 46 A T T <45S- 0 0 73 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.1 0.616 96.6-121.0-107.8 -24.3 -13.5 -15.0 16.4 41 47 A G T <5S+ 0 0 45 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.562 72.2 121.0 88.6 11.5 -13.0 -15.5 20.2 42 48 A L E < -C 37 0B 67 -5,-0.6 -5,-2.9 1,-0.0 -1,-0.3 -0.748 65.9-115.9-108.9 155.8 -10.0 -13.3 20.3 43 49 A R E -C 36 0B 176 -2,-0.3 59,-1.9 -7,-0.2 2,-0.3 -0.665 38.8-171.4 -85.5 142.9 -9.2 -10.1 22.2 44 50 A V E -CD 35 101B 0 -9,-2.9 -9,-2.3 -2,-0.3 2,-0.5 -0.853 25.0-124.5-132.7 165.2 -8.6 -7.1 20.0 45 51 A A E -CD 34 100B 18 55,-2.9 55,-2.4 -2,-0.3 2,-0.5 -0.958 24.8-163.2-109.5 129.3 -7.5 -3.5 20.3 46 52 A V E -CD 33 99B 1 -13,-3.2 -13,-2.5 -2,-0.5 2,-0.5 -0.966 2.0-164.7-117.0 121.2 -9.9 -0.9 19.0 47 53 A K E -CD 32 98B 38 51,-3.1 51,-2.5 -2,-0.5 2,-0.7 -0.930 7.3-156.6-109.7 124.4 -8.7 2.6 18.2 48 54 A K E -CD 31 97B 21 -17,-2.7 -17,-1.9 -2,-0.5 49,-0.2 -0.884 25.9-127.4 -95.3 115.2 -11.1 5.4 17.7 49 55 A L - 0 0 13 47,-2.4 2,-0.6 -2,-0.7 47,-0.3 -0.346 24.0-117.8 -63.0 140.1 -9.3 8.1 15.7 50 56 A S S S- 0 0 64 1,-0.2 -1,-0.1 2,-0.1 45,-0.0 -0.742 78.1 -30.7 -86.5 119.9 -9.5 11.5 17.3 51 57 A R S > S- 0 0 151 -2,-0.6 3,-1.6 1,-0.1 4,-0.3 0.879 76.4-176.6 42.8 55.0 -11.4 14.2 15.3 52 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 3,-0.1 0.727 74.6 28.2 -56.9 -30.6 -10.3 12.5 12.0 53 59 A F T 3 S+ 0 0 15 41,-0.4 -2,-0.1 1,-0.1 270,-0.1 0.061 87.2 102.4-122.1 25.9 -11.8 15.1 9.7 54 60 A Q S < S+ 0 0 129 -3,-1.6 2,-0.3 1,-0.1 -1,-0.1 0.523 92.2 15.2 -87.7 -3.3 -11.8 18.3 11.7 55 61 A S S > S- 0 0 42 -4,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.976 79.3-109.3-158.7 162.6 -8.7 19.7 9.9 56 62 A I H > S+ 0 0 85 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.917 118.7 52.1 -63.1 -43.3 -6.8 19.1 6.7 57 63 A I H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 113.0 44.4 -59.3 -45.3 -3.8 17.7 8.7 58 64 A H H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 112.5 52.1 -64.5 -44.0 -6.1 15.3 10.6 59 65 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.927 112.1 45.1 -60.5 -45.3 -7.9 14.3 7.4 60 66 A K H X S+ 0 0 27 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.890 111.8 52.2 -66.6 -37.1 -4.7 13.5 5.6 61 67 A R H X S+ 0 0 114 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.869 107.7 53.6 -65.4 -36.9 -3.2 11.6 8.6 62 68 A T H X S+ 0 0 6 -4,-2.2 4,-2.2 -10,-0.4 -1,-0.2 0.947 112.0 43.1 -62.6 -49.6 -6.4 9.5 8.8 63 69 A Y H X S+ 0 0 16 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.932 112.9 54.2 -61.4 -46.6 -6.1 8.5 5.1 64 70 A R H X S+ 0 0 25 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.911 110.2 45.7 -53.3 -51.3 -2.3 7.9 5.5 65 71 A E H X S+ 0 0 22 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.921 113.5 48.3 -62.4 -44.6 -2.8 5.5 8.4 66 72 A L H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.916 111.7 49.8 -64.5 -42.2 -5.6 3.6 6.8 67 73 A R H X S+ 0 0 39 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.913 112.4 48.0 -61.7 -44.0 -3.7 3.2 3.5 68 74 A L H X S+ 0 0 8 -4,-2.2 4,-2.6 -5,-0.2 3,-0.3 0.940 112.9 47.1 -61.1 -52.1 -0.6 2.0 5.4 69 75 A L H < S+ 0 0 15 -4,-2.5 11,-0.7 1,-0.2 -1,-0.2 0.832 110.9 52.2 -61.0 -34.0 -2.6 -0.6 7.5 70 76 A K H < S+ 0 0 44 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.812 116.4 39.8 -73.7 -28.3 -4.4 -1.9 4.4 71 77 A H H < S+ 0 0 37 -4,-1.4 2,-0.6 -3,-0.3 235,-0.2 0.845 92.6 85.3 -87.9 -43.8 -1.2 -2.5 2.5 72 78 A M < + 0 0 4 -4,-2.6 2,-0.5 -5,-0.2 8,-0.3 -0.549 47.1 167.8 -71.2 115.2 1.3 -3.9 5.1 73 79 A K + 0 0 150 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.880 23.2 125.4-129.9 96.2 0.9 -7.6 5.4 74 80 A H > - 0 0 22 3,-0.5 3,-1.8 -2,-0.5 57,-0.0 -0.989 65.1-117.5-153.9 144.8 3.8 -9.2 7.3 75 81 A E T 3 S+ 0 0 117 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.730 114.8 42.5 -56.0 -27.8 4.2 -11.4 10.4 76 82 A N T 3 S+ 0 0 5 83,-0.1 84,-2.0 2,-0.1 2,-0.4 0.185 101.1 78.6-108.4 17.9 6.1 -8.7 12.3 77 83 A V B < S-f 160 0C 2 -3,-1.8 -3,-0.5 82,-0.3 84,-0.2 -0.992 91.9-103.7-126.5 128.3 4.0 -5.7 11.4 78 84 A I - 0 0 8 82,-2.5 2,-0.3 -2,-0.4 -2,-0.1 -0.250 41.7-143.5 -54.2 138.2 0.7 -5.1 13.1 79 85 A G - 0 0 28 -4,-0.1 2,-0.6 -6,-0.1 22,-0.5 -0.830 10.7-116.7-111.0 149.2 -2.2 -6.0 10.8 80 86 A L + 0 0 13 -11,-0.7 20,-0.2 -2,-0.3 3,-0.1 -0.698 29.3 174.9 -84.2 120.0 -5.6 -4.5 10.3 81 87 A L - 0 0 29 18,-3.0 2,-0.3 -2,-0.6 19,-0.2 0.748 68.0 -10.8 -92.7 -32.1 -8.4 -6.9 11.3 82 88 A D E -E 99 0B 27 17,-1.3 17,-2.7 253,-0.1 -1,-0.4 -0.978 50.7-163.5-162.9 156.3 -11.3 -4.5 10.8 83 89 A V E +E 98 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.965 26.0 163.5-145.8 130.9 -12.1 -0.9 10.1 84 90 A F E -E 97 0B 14 13,-2.1 13,-2.5 -2,-0.3 -2,-0.0 -0.977 25.1-161.2-147.8 165.9 -15.6 0.5 10.6 85 91 A T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 -68,-0.1 -0.988 25.1-136.0-143.1 145.9 -17.7 3.6 11.0 86 92 A P S S+ 0 0 12 0, 0.0 -81,-0.1 0, 0.0 7,-0.1 0.685 75.3 112.1 -74.2 -15.6 -21.2 4.0 12.5 87 93 A A - 0 0 10 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.279 56.5-159.0 -60.3 140.7 -22.0 6.3 9.5 88 94 A R S S+ 0 0 182 1,-0.1 2,-0.3 -86,-0.0 -1,-0.1 0.501 74.9 12.6 -96.3 -8.9 -24.5 5.0 6.9 89 95 A S S > S- 0 0 37 1,-0.1 3,-0.7 0, 0.0 4,-0.4 -0.966 82.2 -99.0-156.9 170.3 -23.3 7.3 4.1 90 96 A L G > S+ 0 0 48 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.896 119.3 60.7 -63.9 -39.2 -20.5 9.7 3.2 91 97 A E G 3 S+ 0 0 157 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.786 111.4 39.3 -59.9 -26.9 -22.6 12.6 4.2 92 98 A E G < S+ 0 0 105 -3,-0.7 2,-0.7 -6,-0.0 -1,-0.3 0.387 85.6 123.7-101.8 -0.5 -22.7 11.2 7.8 93 99 A F < + 0 0 0 -3,-1.4 3,-0.1 -4,-0.4 234,-0.1 -0.525 18.2 127.4 -73.4 107.3 -19.1 10.0 7.9 94 100 A N + 0 0 90 -2,-0.7 -41,-0.4 1,-0.2 2,-0.4 0.463 58.0 54.9-134.7 -11.7 -17.3 11.6 10.9 95 101 A D - 0 0 53 -43,-0.1 2,-0.4 -44,-0.1 -8,-0.3 -0.969 54.4-166.6-132.7 147.0 -15.7 8.8 12.9 96 102 A V - 0 0 1 -2,-0.4 -47,-2.4 -47,-0.3 2,-0.4 -0.998 2.9-166.8-133.7 131.8 -13.3 6.0 12.0 97 103 A Y E -DE 48 84B 1 -13,-2.5 -13,-2.1 -2,-0.4 2,-0.4 -0.959 3.7-161.9-120.9 138.0 -12.4 2.9 14.1 98 104 A L E -DE 47 83B 7 -51,-2.5 -51,-3.1 -2,-0.4 2,-0.4 -0.943 5.6-158.7-120.0 137.8 -9.5 0.6 13.5 99 105 A V E +DE 46 82B 0 -17,-2.7 -18,-3.0 -2,-0.4 -17,-1.3 -0.963 16.1 163.8-122.9 133.7 -9.2 -2.9 15.0 100 106 A T E -D 45 0B 25 -55,-2.4 -55,-2.9 -2,-0.4 -20,-0.1 -0.869 47.3 -78.4-133.6 171.3 -6.0 -5.1 15.5 101 107 A H E -D 44 0B 70 -22,-0.5 2,-0.4 -2,-0.3 -57,-0.3 -0.364 47.7-121.6 -63.7 151.3 -5.1 -8.2 17.5 102 108 A L - 0 0 62 -59,-1.9 -59,-0.2 -67,-0.1 2,-0.1 -0.819 31.1-150.4 -95.7 134.4 -4.5 -7.4 21.2 103 109 A M - 0 0 36 -2,-0.4 50,-0.2 1,-0.1 3,-0.1 -0.364 17.3-116.5 -98.2-178.5 -1.0 -8.5 22.2 104 110 A G S S- 0 0 50 48,-1.7 2,-0.3 1,-0.3 49,-0.2 0.876 78.9 -25.6 -87.5 -42.6 0.4 -9.6 25.5 105 111 A A E -G 152 0C 29 47,-2.0 47,-3.1 4,-0.0 -1,-0.3 -0.982 55.1-115.0-164.6 161.3 2.9 -6.9 26.5 106 112 A D E > -G 151 0C 40 -2,-0.3 4,-2.1 45,-0.2 45,-0.2 -0.571 40.3-103.5 -99.6 168.6 5.2 -4.2 25.1 107 113 A L H > S+ 0 0 1 43,-1.5 4,-2.3 40,-1.5 5,-0.2 0.777 120.8 59.0 -65.4 -24.7 9.0 -4.3 25.4 108 114 A N H > S+ 0 0 59 39,-0.5 4,-1.7 42,-0.2 -1,-0.2 0.938 107.8 46.9 -64.9 -46.2 8.9 -1.8 28.2 109 115 A N H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.934 111.6 51.5 -61.0 -44.7 6.8 -4.1 30.2 110 116 A I H >X S+ 0 0 29 -4,-2.1 4,-1.5 1,-0.2 3,-0.6 0.930 111.2 44.9 -58.3 -51.7 9.0 -7.1 29.4 111 117 A V H 3< S+ 0 0 24 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.797 111.3 54.5 -66.0 -28.0 12.3 -5.4 30.5 112 118 A K H 3< S+ 0 0 163 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.752 112.9 43.9 -76.7 -22.2 10.6 -4.1 33.6 113 119 A C H << S- 0 0 84 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.679 121.4 -5.1-101.2 -19.3 9.5 -7.5 34.7 114 120 A Q S < S- 0 0 115 -4,-1.5 2,-0.2 -5,-0.1 -3,-0.1 0.433 71.3 -98.6-132.0 -95.2 12.3 -10.0 34.1 115 121 A K - 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0 0 7 -4,-1.9 -3,-0.1 26,-0.4 -1,-0.1 0.224 35.6 -68.1 91.1 146.8 32.8 9.8 20.8 226 241 A T - 0 0 17 24,-2.2 26,-0.1 -5,-0.1 2,-0.1 -0.374 60.4-100.1 -66.4 143.4 32.6 13.4 19.6 227 242 A P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.448 48.0-166.9 -65.2 139.7 32.5 13.8 15.9 228 243 A G > - 0 0 30 -2,-0.1 4,-2.6 -3,-0.1 3,-0.2 -0.321 43.3 -58.5-109.6-163.1 35.9 14.8 14.6 229 244 A A H > S+ 0 0 79 1,-0.2 4,-1.1 2,-0.2 0, 0.0 0.832 127.4 56.1 -47.1 -45.9 37.3 16.1 11.4 230 245 A E H >4 S+ 0 0 140 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.946 115.5 32.7 -57.5 -56.4 36.1 13.2 9.3 231 246 A L H >4 S+ 0 0 23 1,-0.2 3,-2.3 -3,-0.2 4,-0.3 0.833 109.5 68.1 -72.4 -31.6 32.4 13.3 10.1 232 247 A L H >< S+ 0 0 26 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.781 87.8 68.6 -57.9 -27.5 32.5 17.1 10.4 233 248 A K T << S+ 0 0 180 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.709 101.3 46.9 -62.7 -21.6 33.1 17.2 6.7 234 249 A K T < S+ 0 0 66 -3,-2.3 2,-0.9 -4,-0.2 -50,-0.4 0.399 81.0 111.5-101.7 -1.0 29.6 15.9 6.2 235 250 A I < - 0 0 6 -3,-1.2 -52,-0.2 -4,-0.3 6,-0.1 -0.679 43.4-175.8 -80.3 107.3 27.8 18.2 8.6 236 251 A S + 0 0 90 -2,-0.9 2,-0.6 -54,-0.6 -1,-0.2 0.800 59.0 84.5 -73.8 -31.4 25.8 20.5 6.3 237 252 A S > - 0 0 29 -55,-0.7 4,-2.2 1,-0.2 5,-0.1 -0.644 60.3-161.7 -81.1 118.1 24.5 22.7 9.1 238 253 A E H > S+ 0 0 130 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.894 94.7 53.0 -63.7 -41.0 26.9 25.6 10.0 239 254 A S H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 109.3 50.3 -61.3 -37.4 25.2 26.1 13.4 240 255 A A H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.908 108.8 50.6 -67.3 -41.8 25.6 22.3 14.1 241 256 A R H X S+ 0 0 86 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.947 112.1 47.7 -61.6 -45.5 29.3 22.5 13.2 242 257 A N H X S+ 0 0 97 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.912 113.3 48.5 -60.5 -44.5 29.8 25.4 15.6 243 258 A Y H >< S+ 0 0 70 -4,-2.4 3,-1.3 -5,-0.2 4,-0.5 0.949 109.5 51.2 -62.9 -48.0 27.9 23.7 18.3 244 259 A I H >< S+ 0 0 3 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.888 108.4 52.2 -55.7 -43.7 29.8 20.4 18.0 245 260 A Q H 3< S+ 0 0 134 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.647 101.6 62.4 -70.9 -13.3 33.1 22.2 18.2 246 261 A S T << S+ 0 0 85 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.558 88.8 91.2 -86.4 -12.7 32.0 23.9 21.4 247 262 A L S < S- 0 0 26 -3,-1.3 2,-0.3 -4,-0.5 3,-0.0 -0.477 90.6 -95.1 -84.5 158.7 31.6 20.6 23.3 248 263 A T - 0 0 106 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.526 49.5-114.6 -70.3 128.7 34.2 18.8 25.4 249 264 A Q - 0 0 110 -2,-0.3 -1,-0.1 -4,-0.1 -21,-0.0 -0.474 34.6-167.8 -70.0 133.7 35.8 16.3 23.2 250 265 A M - 0 0 37 -2,-0.2 -24,-2.2 -29,-0.0 2,-0.1 -0.976 16.5-127.8-123.4 138.7 35.1 12.7 24.2 251 266 A P - 0 0 102 0, 0.0 -26,-0.4 0, 0.0 2,-0.1 -0.494 34.1 -98.3 -82.8 159.2 36.8 9.6 22.9 252 267 A K - 0 0 107 -28,-0.2 2,-0.3 -2,-0.1 -28,-0.2 -0.483 38.9-131.7 -70.3 143.0 34.9 6.7 21.5 253 268 A M - 0 0 66 -30,-2.8 2,-0.7 -2,-0.1 -1,-0.1 -0.752 17.4-114.8 -95.3 147.2 34.4 3.8 24.0 254 269 A N > - 0 0 89 -2,-0.3 3,-2.0 1,-0.2 4,-0.5 -0.706 25.6-142.7 -78.4 116.8 35.2 0.2 23.1 255 270 A F G >> S+ 0 0 1 -2,-0.7 4,-2.6 1,-0.3 3,-1.2 0.775 96.1 68.0 -54.6 -28.8 31.6 -1.3 23.4 256 271 A A G 34 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.788 97.8 52.8 -62.6 -25.9 33.1 -4.5 24.8 257 272 A N G <4 S+ 0 0 118 -3,-2.0 -1,-0.3 1,-0.1 3,-0.2 0.591 114.6 43.4 -83.6 -10.6 34.1 -2.5 28.0 258 273 A V T <4 S+ 0 0 54 -3,-1.2 2,-1.6 -4,-0.5 -2,-0.2 0.871 110.4 48.1 -98.2 -52.9 30.5 -1.2 28.3 259 274 A F S >< S- 0 0 10 -4,-2.6 3,-1.9 2,-0.0 -1,-0.2 -0.475 83.2-170.1 -91.4 64.0 28.3 -4.3 27.6 260 275 A I T 3 + 0 0 145 -2,-1.6 3,-0.1 1,-0.3 -3,-0.1 -0.345 67.3 12.2 -60.4 128.5 30.2 -6.5 30.0 261 276 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 -5,-0.2 2,-0.1 0.346 93.7 133.1 88.2 -5.3 29.2 -10.1 29.7 262 277 A A S < S- 0 0 29 -3,-1.9 -1,-0.3 -6,-0.1 5,-0.1 -0.404 73.0 -84.7 -77.0 155.3 27.2 -9.7 26.5 263 278 A N >> - 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