==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUN-98 1PME . COMPND 2 MOLECULE: ERK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.XIE . 333 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 58.9 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 . 35 10.5 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 . 0 0.0 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 . 11 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 29.7 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+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 1 2 0 1 1 0 1 1 1 0 0 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 2 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 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 16 A G 0 0 113 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -64.6 -17.9 27.3 31.4 2 17 A Q - 0 0 128 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.519 360.0 -43.5-114.4-176.9 -15.8 26.2 28.4 3 18 A V + 0 0 92 -2,-0.2 -1,-0.2 1,-0.1 0, 0.0 -0.262 56.5 162.0 -53.0 128.6 -16.3 23.4 25.8 4 19 A F + 0 0 20 -3,-0.1 2,-1.2 81,-0.0 -1,-0.1 -0.481 6.8 171.5-146.5 60.0 -17.4 20.2 27.4 5 20 A D + 0 0 106 1,-0.2 -2,-0.0 68,-0.0 0, 0.0 -0.681 6.7 164.4 -84.6 99.0 -18.8 18.2 24.5 6 21 A V - 0 0 5 -2,-1.2 4,-0.5 1,-0.3 3,-0.2 0.110 52.9-106.2 -96.6 15.7 -19.4 14.8 26.1 7 22 A G > - 0 0 37 1,-0.2 3,-0.6 2,-0.1 -1,-0.3 -0.050 41.4 -64.5 83.0 171.8 -21.7 13.7 23.2 8 23 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 20,-0.1 0.783 125.9 66.9 -65.4 -29.2 -25.5 13.2 22.9 9 24 A R T 3 S+ 0 0 40 -3,-0.2 19,-3.0 1,-0.1 2,-0.6 0.824 97.6 54.4 -63.1 -36.5 -25.4 10.4 25.5 10 25 A Y E < S+A 27 0A 6 -3,-0.6 -4,-0.3 -4,-0.5 17,-0.2 -0.906 72.8 154.2-109.3 115.5 -24.4 12.7 28.4 11 26 A T E +A 26 0A 51 15,-1.9 15,-2.8 -2,-0.6 -2,-0.0 -0.605 39.1 55.3-125.4-176.0 -26.7 15.6 29.0 12 27 A N E S- 0 0 110 13,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.918 70.6-160.0 52.6 54.8 -27.8 18.0 31.7 13 28 A L E - 0 0 76 -3,-0.1 2,-0.4 12,-0.1 12,-0.2 -0.469 14.4-177.0 -71.5 129.5 -24.3 19.1 32.7 14 29 A S E -A 24 0A 65 10,-1.7 10,-3.1 -2,-0.2 -1,-0.0 -0.998 28.7-115.7-128.5 125.9 -23.8 20.7 36.1 15 30 A Y E +A 23 0A 150 -2,-0.4 8,-0.2 8,-0.2 6,-0.0 -0.238 37.5 163.8 -62.6 146.6 -20.4 22.0 37.2 16 31 A I 0 0 81 6,-1.8 7,-0.2 1,-0.1 -1,-0.1 0.594 360.0 360.0-127.0 -63.0 -18.4 20.5 40.0 17 32 A G 0 0 49 5,-1.6 -1,-0.1 0, 0.0 -2,-0.0 -0.229 360.0 360.0-175.0 360.0 -14.7 21.4 40.1 18 ! 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 19 36 A Y 0 0 106 0, 0.0 21,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 48.8 -5.9 18.7 33.6 20 37 A G - 0 0 50 19,-0.2 2,-0.3 63,-0.0 19,-0.2 -0.920 360.0 -33.5 179.4-149.2 -9.5 20.0 33.3 21 38 A M - 0 0 18 -2,-0.3 17,-3.4 -5,-0.0 2,-0.4 -0.727 33.1-145.9-109.5 146.1 -13.0 20.2 34.7 22 39 A V E + B 0 37A 45 -2,-0.3 -6,-1.8 15,-0.2 -5,-1.6 -0.931 27.0 171.6-110.2 134.5 -15.2 17.8 36.5 23 40 A C E -AB 15 36A 8 13,-2.7 13,-3.2 -2,-0.4 2,-0.3 -0.955 31.1-121.9-139.9 158.2 -19.0 17.9 35.9 24 41 A S E +AB 14 35A 10 -10,-3.1 -10,-1.7 -2,-0.3 2,-0.3 -0.704 38.1 171.8 -96.4 151.7 -22.1 15.9 36.7 25 42 A A E - B 0 34A 0 9,-2.7 9,-2.8 -2,-0.3 2,-0.5 -0.968 34.3-108.4-155.0 167.0 -24.2 14.5 33.8 26 43 A Y E -AB 11 33A 66 -15,-2.8 -15,-1.9 -2,-0.3 2,-1.0 -0.918 24.6-141.4-106.7 124.0 -27.1 12.3 32.9 27 44 A D E > -A 10 0A 5 5,-3.0 4,-1.3 -2,-0.5 5,-0.4 -0.747 10.9-165.3 -85.0 101.6 -26.3 9.0 31.2 28 45 A N T 4 S+ 0 0 53 -19,-3.0 -1,-0.1 -2,-1.0 -18,-0.1 0.559 84.7 44.4 -64.4 -10.3 -29.1 8.6 28.6 29 46 A V T 4 S+ 0 0 85 -20,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.876 121.6 30.0 -98.0 -63.1 -28.2 5.0 28.1 30 47 A N T 4 S- 0 0 103 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.461 101.2-132.0 -76.3 -3.1 -27.6 3.4 31.5 31 48 A K < + 0 0 128 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.705 64.5 119.1 58.9 28.4 -30.2 6.0 32.9 32 49 A V S S- 0 0 61 -5,-0.4 -5,-3.0 0, 0.0 2,-0.5 -0.814 70.7-108.5-121.2 158.4 -28.0 7.0 35.8 33 50 A R E -B 26 0A 88 -2,-0.3 57,-1.4 -7,-0.2 -7,-0.2 -0.772 47.0-175.4 -86.5 125.8 -26.4 10.4 36.8 34 51 A V E -BC 25 89A 1 -9,-2.8 -9,-2.7 -2,-0.5 2,-0.4 -0.650 25.1-123.0-117.9 174.5 -22.6 10.2 36.2 35 52 A A E -BC 24 88A 15 53,-2.9 53,-2.3 -11,-0.2 2,-0.4 -0.981 24.9-167.3-121.6 131.2 -19.5 12.3 36.8 36 53 A I E -BC 23 87A 1 -13,-3.2 -13,-2.7 -2,-0.4 2,-0.5 -0.968 5.9-158.0-123.1 136.5 -17.2 13.2 33.9 37 54 A K E -BC 22 86A 56 49,-2.6 49,-2.4 -2,-0.4 2,-0.5 -0.956 8.9-147.1-118.1 125.9 -13.8 14.7 34.0 38 55 A K E - C 0 85A 22 -17,-3.4 2,-0.4 -2,-0.5 47,-0.2 -0.768 15.6-171.2 -90.7 128.7 -12.2 16.6 31.1 39 56 A I E + C 0 84A 2 45,-2.8 45,-2.2 -2,-0.5 -19,-0.2 -0.988 13.9 179.1-124.5 125.5 -8.5 16.2 30.7 40 57 A S + 0 0 49 -21,-2.0 3,-0.2 -2,-0.4 43,-0.1 -0.757 30.1 137.3-124.6 82.0 -6.5 18.4 28.2 41 58 A P > + 0 0 1 0, 0.0 3,-1.8 0, 0.0 7,-0.4 0.559 31.6 100.6-105.2 -10.8 -2.8 17.1 28.7 42 59 A F T 3 S+ 0 0 22 40,-0.4 278,-0.1 1,-0.3 277,-0.1 0.579 71.3 68.0 -57.1 -14.9 -1.2 16.8 25.3 43 60 A E T 3 S+ 0 0 160 -3,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.718 102.9 47.4 -78.2 -20.6 0.7 20.0 25.3 44 61 A H <> - 0 0 94 -3,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.980 66.5-145.3-131.8 136.9 3.1 18.8 28.1 45 62 A Q H > S+ 0 0 68 -2,-0.4 4,-1.9 1,-0.2 5,-0.1 0.848 103.2 49.5 -59.1 -43.9 5.0 15.5 28.6 46 63 A T H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 111.2 48.5 -65.8 -42.3 4.6 15.6 32.4 47 64 A Y H > S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.886 112.9 49.2 -66.7 -37.9 0.8 16.1 32.2 48 65 A C H X S+ 0 0 0 -4,-2.2 4,-2.5 -7,-0.4 5,-0.2 0.832 108.4 53.3 -68.0 -36.4 0.6 13.3 29.6 49 66 A Q H X S+ 0 0 50 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.899 110.8 46.0 -67.2 -39.1 2.6 11.0 31.8 50 67 A R H X S+ 0 0 47 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.907 114.6 48.7 -67.6 -43.5 0.3 11.5 34.8 51 68 A T H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.886 113.4 44.2 -64.2 -44.0 -2.7 11.1 32.5 52 69 A L H X S+ 0 0 18 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.926 112.9 53.9 -66.6 -45.3 -1.6 7.9 30.9 53 70 A R H X S+ 0 0 69 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.923 112.4 42.8 -54.6 -50.7 -0.5 6.5 34.3 54 71 A E H X S+ 0 0 9 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.907 113.5 50.6 -66.3 -44.4 -3.9 7.1 35.8 55 72 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.925 112.0 48.3 -60.8 -43.4 -5.8 5.8 32.8 56 73 A K H X S+ 0 0 84 -4,-3.0 4,-1.2 2,-0.2 -1,-0.2 0.914 114.9 44.8 -61.8 -45.9 -3.7 2.6 32.8 57 74 A I H X S+ 0 0 8 -4,-2.2 4,-2.2 -5,-0.2 3,-0.5 0.954 114.1 47.2 -64.8 -50.4 -4.2 2.1 36.5 58 75 A L H < S+ 0 0 7 -4,-2.9 11,-0.5 1,-0.2 -1,-0.2 0.795 111.0 52.1 -63.8 -30.8 -7.9 2.8 36.7 59 76 A L H < S+ 0 0 29 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.759 113.6 43.2 -76.0 -28.9 -8.7 0.6 33.7 60 77 A R H < S+ 0 0 118 -4,-1.2 -2,-0.2 -3,-0.5 2,-0.2 0.818 100.5 84.0 -84.1 -37.1 -6.8 -2.4 35.1 61 78 A F < - 0 0 9 -4,-2.2 2,-0.4 -5,-0.2 62,-0.0 -0.463 52.2-179.2 -71.6 139.0 -8.2 -2.0 38.6 62 79 A R + 0 0 218 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.887 27.8 131.3-139.5 101.3 -11.7 -3.4 39.4 63 80 A H > - 0 0 23 3,-0.4 3,-1.7 -2,-0.4 56,-0.0 -0.971 58.6-129.2-158.0 140.6 -12.7 -2.7 43.0 64 81 A E T 3 S+ 0 0 137 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.777 109.7 49.4 -57.9 -33.1 -15.8 -1.4 44.9 65 82 A N T 3 S+ 0 0 7 82,-0.1 83,-2.6 2,-0.1 2,-0.4 0.112 103.2 70.1 -96.9 20.9 -13.7 1.2 46.9 66 83 A I B < S-e 148 0B 5 -3,-1.7 -3,-0.4 81,-0.3 2,-0.2 -0.999 91.9-103.2-137.1 138.4 -11.8 2.6 43.8 67 84 A I - 0 0 13 81,-2.3 2,-0.3 -2,-0.4 -6,-0.1 -0.398 39.2-157.0 -63.1 122.6 -13.3 4.8 41.0 68 85 A G - 0 0 27 -2,-0.2 2,-0.8 -4,-0.1 21,-0.3 -0.778 16.5-119.1-102.6 149.5 -13.8 2.7 37.9 69 86 A I + 0 0 23 -11,-0.5 19,-0.2 -2,-0.3 3,-0.1 -0.785 29.5 174.6 -93.7 111.5 -14.0 4.0 34.4 70 87 A N - 0 0 65 17,-2.2 2,-0.3 -2,-0.8 18,-0.2 0.759 69.0 -2.1 -82.5 -28.0 -17.3 3.3 32.7 71 88 A D E -D 87 0A 8 16,-1.2 16,-2.7 2,-0.0 2,-0.4 -0.987 53.8-152.6-161.9 154.8 -16.6 5.3 29.5 72 89 A I E -D 86 0A 2 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.986 13.3-157.4-136.1 126.5 -14.0 7.5 27.9 73 90 A I E +D 85 0A 31 12,-2.5 12,-2.6 -2,-0.4 2,-0.3 -0.914 30.4 133.1-110.7 123.9 -14.9 10.1 25.3 74 91 A R - 0 0 22 -2,-0.5 10,-0.1 10,-0.2 7,-0.1 -0.938 56.1 -73.2-154.3 171.8 -12.4 11.4 22.8 75 92 A A - 0 0 24 8,-0.5 6,-0.1 -2,-0.3 256,-0.0 -0.291 42.6-113.4 -69.3 161.3 -12.2 12.1 19.0 76 93 A P S S+ 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.672 96.3 42.4 -68.8 -20.2 -11.9 9.3 16.4 77 94 A T S > S- 0 0 46 1,-0.1 4,-1.1 0, 0.0 -2,-0.2 -0.907 78.8-122.6-129.7 159.5 -8.4 10.3 15.5 78 95 A I T 4 S+ 0 0 46 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.872 112.8 56.3 -62.9 -38.9 -5.1 11.3 17.1 79 96 A E T 4 S+ 0 0 142 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.885 112.4 39.8 -60.7 -43.6 -5.1 14.6 15.0 80 97 A Q T 4 S+ 0 0 121 2,-0.0 2,-0.8 -3,-0.0 3,-0.3 0.601 90.5 106.2 -82.9 -15.2 -8.6 15.6 16.3 81 98 A M < + 0 0 0 -4,-1.1 3,-0.1 1,-0.2 243,-0.1 -0.579 26.1 141.3 -73.6 107.3 -8.0 14.5 19.8 82 99 A K + 0 0 134 -2,-0.8 -40,-0.4 1,-0.3 2,-0.3 0.703 68.8 27.0-110.7 -41.5 -7.5 17.6 22.0 83 100 A D - 0 0 36 -3,-0.3 -8,-0.5 -43,-0.1 2,-0.4 -0.856 62.2-153.9-123.8 158.6 -9.4 16.5 25.1 84 101 A V E -C 39 0A 0 -45,-2.2 -45,-2.8 -2,-0.3 2,-0.5 -0.989 10.6-152.9-130.2 138.5 -10.2 13.2 26.7 85 102 A Y E -CD 38 73A 7 -12,-2.6 -12,-2.5 -2,-0.4 2,-0.4 -0.963 3.1-158.7-119.3 124.7 -13.2 12.7 29.0 86 103 A L E -CD 37 72A 11 -49,-2.4 -49,-2.6 -2,-0.5 2,-0.4 -0.846 11.7-159.9-100.4 138.0 -13.3 10.0 31.7 87 104 A V E +CD 36 71A 2 -16,-2.7 -17,-2.2 -2,-0.4 -16,-1.2 -0.954 19.6 151.9-123.3 138.8 -16.7 8.9 33.0 88 105 A T E -C 35 0A 20 -53,-2.3 -53,-2.9 -2,-0.4 -19,-0.1 -0.945 50.8 -66.9-152.7 169.3 -17.7 7.1 36.2 89 106 A H E -C 34 0A 88 -21,-0.3 -55,-0.2 -2,-0.3 2,-0.1 -0.340 61.7-100.1 -63.4 140.3 -20.7 6.8 38.6 90 107 A L - 0 0 52 -57,-1.4 2,-0.5 -65,-0.1 -1,-0.1 -0.355 33.7-175.3 -67.2 135.4 -21.6 9.9 40.5 91 108 A M - 0 0 17 50,-0.1 50,-0.2 -2,-0.1 49,-0.1 -0.957 14.0-156.6-128.1 103.3 -20.4 10.3 44.1 92 109 A G + 0 0 62 -2,-0.5 2,-0.2 47,-0.1 49,-0.2 0.609 65.3 21.1 -61.8 -15.9 -22.0 13.6 45.3 93 110 A A E -F 140 0B 23 47,-2.5 47,-2.0 -3,-0.0 2,-0.3 -0.728 59.0-148.3-140.2-174.2 -19.5 14.3 48.0 94 111 A D E > -F 139 0B 17 45,-0.3 4,-1.9 -2,-0.2 45,-0.2 -0.943 36.8-101.4-152.6 166.1 -16.0 13.8 49.4 95 112 A L H > S+ 0 0 0 43,-2.2 4,-2.7 40,-1.2 41,-0.2 0.788 116.4 57.5 -64.7 -31.7 -14.4 13.6 52.9 96 113 A Y H > S+ 0 0 116 39,-0.9 4,-0.8 42,-0.2 -1,-0.2 0.965 111.5 40.7 -62.9 -52.3 -12.9 17.1 52.6 97 114 A K H > S+ 0 0 89 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.881 117.0 50.9 -61.4 -41.9 -16.3 18.8 52.1 98 115 A L H >X S+ 0 0 25 -4,-1.9 4,-2.9 1,-0.2 3,-1.0 0.909 107.2 51.5 -63.3 -46.4 -17.9 16.5 54.7 99 116 A L H 3< S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.613 97.6 70.0 -69.4 -14.2 -15.3 17.2 57.4 100 117 A K H 3< S+ 0 0 132 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.808 123.8 3.4 -73.0 -29.3 -15.8 21.0 57.0 101 118 A T H << S+ 0 0 108 -3,-1.0 2,-0.5 -4,-0.6 -2,-0.2 0.591 114.8 77.9-130.4 -20.2 -19.3 20.9 58.5 102 119 A Q < - 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0 0 24 0, 0.0 -9,-0.1 0, 0.0 -33,-0.0 -0.456 26.3-147.6 -62.6 133.5 -5.7 18.2 60.0 210 227 A I S S+ 0 0 12 -11,-0.4 -10,-0.0 1,-0.2 -11,-0.0 0.846 89.8 29.4 -72.8 -34.5 -3.3 16.8 62.6 211 228 A F + 0 0 1 -36,-0.3 2,-1.6 -12,-0.1 -1,-0.2 -0.636 68.6 172.2-127.8 75.3 -0.1 18.1 60.9 212 229 A P - 0 0 17 0, 0.0 -37,-0.1 0, 0.0 7,-0.1 -0.433 14.2-174.9 -84.2 67.6 -0.9 21.3 59.0 213 230 A G - 0 0 0 -2,-1.6 -38,-0.1 1,-0.1 6,-0.1 -0.323 22.6-148.5 -62.0 139.8 2.7 22.4 58.1 214 231 A K S S+ 0 0 156 1,-0.1 2,-0.3 -40,-0.1 -1,-0.1 0.632 78.4 1.9 -84.8 -13.8 2.9 25.8 56.4 215 232 A H S > S- 0 0 104 1,-0.1 4,-1.3 -41,-0.0 3,-0.3 -0.960 94.3 -73.4-162.3 169.0 5.9 24.7 54.3 216 233 A Y H >> S+ 0 0 31 -2,-0.3 4,-0.6 1,-0.2 3,-0.5 0.834 125.5 32.8 -34.3 -62.6 8.2 21.7 53.6 217 234 A L H >> S+ 0 0 56 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.804 109.6 64.9 -73.5 -29.9 10.3 21.7 56.9 218 235 A D H 3> S+ 0 0 25 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.758 92.9 65.9 -62.9 -24.4 7.5 22.9 59.1 219 236 A Q H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 3,-0.8 0.919 113.8 46.0 -61.2 -45.8 5.0 15.6 63.2 224 241 A L H 3X S+ 0 0 2 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.725 102.5 67.6 -71.8 -19.3 7.7 15.6 65.8 225 242 A G H 3< S+ 0 0 32 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.810 114.8 26.5 -69.3 -30.4 5.6 18.0 67.9 226 243 A I H << S+ 0 0 24 -4,-0.9 30,-2.9 -3,-0.8 -2,-0.2 0.838 128.4 40.8 -98.2 -45.5 3.1 15.2 68.5 227 244 A L H < S- 0 0 25 -4,-2.6 28,-0.2 28,-0.2 -3,-0.2 0.773 100.2-145.7 -75.0 -27.5 5.2 12.0 68.2 228 245 A G < - 0 0 4 -4,-1.4 26,-0.2 -5,-0.3 -1,-0.2 -0.224 44.8 -19.5 86.8 179.5 8.2 13.5 70.1 229 246 A S S S- 0 0 46 24,-2.7 2,-0.1 1,-0.1 26,-0.1 -0.280 75.0-110.7 -61.6 137.7 11.9 12.9 69.5 230 247 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.441 36.5-107.4 -70.7 143.8 12.7 9.7 67.5 231 248 A S > - 0 0 54 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.167 26.9-107.9 -65.0 164.9 14.4 6.9 69.5 232 249 A Q H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.885 122.1 56.0 -61.3 -38.7 18.1 6.1 69.0 233 250 A E H > S+ 0 0 121 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.900 108.6 46.3 -59.9 -42.9 16.9 2.9 67.3 234 251 A D H 4 S+ 0 0 18 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.843 112.4 50.2 -70.0 -34.1 14.9 4.9 64.8 235 252 A L H >< S+ 0 0 10 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.822 103.1 60.6 -72.8 -30.5 17.8 7.3 64.2 236 253 A N H 3< S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.761 97.6 59.6 -67.0 -27.1 20.1 4.4 63.6 237 254 A C T 3< S+ 0 0 67 -4,-0.8 2,-0.9 -3,-0.3 -1,-0.3 0.504 89.0 80.8 -77.9 -6.9 18.0 3.4 60.7 238 255 A I < + 0 0 9 -3,-1.4 -1,-0.1 1,-0.2 6,-0.1 -0.838 55.2 173.9-102.9 94.3 18.6 6.8 59.1 239 256 A I + 0 0 137 -2,-0.9 2,-0.4 -55,-0.1 -1,-0.2 0.738 47.9 103.0 -73.3 -22.5 22.0 6.3 57.5 240 257 A N > - 0 0 36 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.487 64.1-151.5 -67.6 117.5 21.9 9.8 55.8 241 258 A L H > S+ 0 0 125 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.884 90.8 50.9 -55.8 -50.3 24.2 12.1 57.9 242 259 A K H > S+ 0 0 158 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.876 114.4 45.0 -59.7 -37.9 22.4 15.4 57.1 243 260 A A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.931 115.7 45.0 -71.5 -47.3 19.1 13.9 58.1 244 261 A R H X S+ 0 0 74 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.921 113.1 51.0 -63.4 -45.0 20.2 12.2 61.2 245 262 A N H X S+ 0 0 84 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.820 106.1 54.9 -63.8 -33.4 22.2 15.2 62.4 246 263 A Y H < S+ 0 0 46 -4,-1.4 4,-0.4 -5,-0.2 -1,-0.2 0.919 110.4 46.2 -65.0 -42.9 19.2 17.6 61.9 247 264 A L H >< S+ 0 0 10 -4,-1.6 3,-1.2 1,-0.2 -2,-0.2 0.903 111.9 51.4 -63.6 -44.2 17.2 15.3 64.2 248 265 A L H 3< S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.721 103.5 59.4 -65.6 -26.6 20.0 15.2 66.7 249 266 A S T 3< S+ 0 0 84 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.577 87.7 94.8 -79.5 -12.4 20.3 18.9 66.7 250 267 A L S < S- 0 0 41 -3,-1.2 3,-0.1 -4,-0.4 -3,-0.0 -0.572 83.3-109.9 -83.5 141.4 16.7 19.4 67.9 251 268 A P - 0 0 102 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.323 50.8 -80.5 -66.2 153.0 15.9 19.8 71.6 252 269 A H - 0 0 140 -23,-0.1 2,-0.4 -4,-0.1 -4,-0.0 -0.378 48.8-167.5 -59.0 125.8 14.1 16.8 73.2 253 270 A K - 0 0 60 -2,-0.1 -24,-2.7 -3,-0.1 2,-0.2 -0.945 11.9-138.0-116.5 137.1 10.3 16.8 72.5 254 271 A N - 0 0 123 -2,-0.4 -26,-0.2 -26,-0.2 2,-0.1 -0.633 26.8 -98.2 -94.9 153.0 8.0 14.6 74.4 255 272 A K - 0 0 76 -2,-0.2 -28,-0.2 -28,-0.2 -29,-0.1 -0.452 28.0-135.3 -70.9 138.4 5.1 12.6 72.9 256 273 A V - 0 0 26 -30,-2.9 2,-0.1 -2,-0.1 -1,-0.0 -0.863 31.8-114.2 -92.0 125.1 1.6 14.1 73.2 257 274 A P >> - 0 0 48 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.378 11.8-136.0 -61.9 136.9 -0.8 11.3 74.3 258 275 A W H 3> S+ 0 0 20 1,-0.3 4,-2.4 2,-0.2 7,-0.1 0.899 106.7 54.4 -60.5 -41.1 -3.4 10.3 71.7 259 276 A N H 34 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.651 108.7 50.0 -67.8 -15.4 -6.1 10.3 74.3 260 277 A R H <4 S+ 0 0 173 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.803 113.2 45.1 -87.6 -37.2 -5.1 13.8 75.3 261 278 A L H < S+ 0 0 64 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.796 129.7 24.8 -73.6 -35.2 -5.3 15.0 71.6 262 279 A F >< + 0 0 7 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.3 -0.725 69.5 172.2-134.7 82.4 -8.6 13.2 71.0 263 280 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.593 78.8 48.0 -68.5 -12.6 -10.4 12.8 74.3 264 281 A N T 3 S+ 0 0 135 -59,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.310 87.9 112.1-112.9 8.3 -13.7 11.5 72.8 265 282 A A S < S- 0 0 27 -3,-1.1 2,-0.2 -7,-0.1 -3,-0.1 -0.411 77.3 -96.4 -84.0 157.4 -12.2 8.9 70.4 266 283 A D > - 0 0 53 1,-0.1 4,-1.8 -2,-0.1 3,-0.3 -0.492 29.8-131.9 -68.8 137.5 -12.5 5.1 70.7 267 284 A S H > S+ 0 0 94 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.871 107.7 52.2 -62.7 -36.2 -9.5 3.7 72.5 268 285 A K H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.815 106.7 54.3 -68.0 -30.4 -9.1 1.0 69.8 269 286 A A H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.894 108.6 48.6 -68.6 -40.4 -9.1 3.7 67.1 270 287 A L H X S+ 0 0 17 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.797 108.1 54.6 -70.2 -29.7 -6.3 5.5 68.9 271 288 A D H X S+ 0 0 70 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.907 112.4 42.7 -69.4 -40.9 -4.3 2.3 69.2 272 289 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.864 111.1 55.9 -72.0 -34.8 -4.6 1.8 65.4 273 290 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.895 106.1 51.7 -62.8 -39.3 -3.8 5.5 64.8 274 291 A D H < S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.895 109.4 49.8 -63.5 -41.1 -0.6 5.0 66.8 275 292 A K H < S+ 0 0 80 -4,-1.5 10,-2.2 1,-0.2 3,-0.4 0.759 114.4 43.9 -70.6 -27.4 0.4 2.1 64.6 276 293 A M H < S+ 0 0 0 -4,-1.6 2,-0.4 1,-0.2 -78,-0.2 0.811 112.3 52.4 -86.5 -33.5 -0.2 4.0 61.4 277 294 A L S < S+ 0 0 0 -4,-2.5 2,-0.4 -5,-0.2 -1,-0.2 -0.317 77.7 141.4 -98.5 49.2 1.5 7.2 62.6 278 295 A T - 0 0 31 -3,-0.4 6,-0.1 -2,-0.4 -3,-0.1 -0.790 51.9-138.2 -91.2 131.6 4.7 5.5 63.6 279 296 A F S S+ 0 0 20 -2,-0.4 -99,-0.2 4,-0.1 -1,-0.1 0.894 87.2 70.4 -54.7 -48.0 7.8 7.4 62.9 280 297 A N S >> S- 0 0 7 1,-0.1 4,-0.9 -101,-0.1 3,-0.7 -0.659 70.8-154.2 -79.3 115.9 9.8 4.4 61.6 281 298 A P T 34 S+ 0 0 31 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.777 94.0 56.7 -60.3 -27.7 8.5 3.2 58.2 282 299 A H T 34 S+ 0 0 147 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.800 111.4 42.2 -74.6 -29.7 9.8 -0.3 58.8 283 300 A K T <4 S+ 0 0 96 -3,-0.7 -1,-0.2 2,-0.1 3,-0.1 0.533 90.2 114.7 -91.8 -10.1 7.8 -0.6 62.1 284 301 A R S < S- 0 0 5 -4,-0.9 -8,-0.2 -6,-0.1 -9,-0.1 -0.358 77.3-101.3 -64.4 138.4 4.7 1.1 60.6 285 302 A I - 0 0 15 -10,-2.2 2,-0.2 -13,-0.1 -1,-0.1 -0.243 35.5-129.0 -60.1 145.2 1.6 -1.2 60.4 286 303 A E >> - 0 0 119 -3,-0.1 4,-2.6 1,-0.1 3,-0.7 -0.627 25.6-103.1 -95.0 160.2 0.8 -2.6 56.9 287 304 A V H 3> S+ 0 0 12 1,-0.3 4,-1.8 -2,-0.2 -166,-0.1 0.839 120.7 47.4 -51.7 -40.8 -2.6 -2.4 55.3 288 305 A E H 3> S+ 0 0 106 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.822 112.1 49.3 -73.9 -27.8 -3.6 -6.0 56.0 289 306 A Q H <4 S+ 0 0 105 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.876 109.8 53.9 -72.7 -39.8 -2.5 -5.7 59.7 290 307 A A H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 6,-0.2 0.892 107.2 49.6 -59.6 -42.2 -4.5 -2.5 59.8 291 308 A L H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 109.4 52.9 -67.1 -32.6 -7.6 -4.4 58.5 292 309 A A T 3< S+ 0 0 49 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.360 83.5 118.1 -83.8 1.8 -7.1 -7.1 61.1 293 310 A H S X S- 0 0 14 -3,-1.2 3,-2.4 -4,-0.2 4,-0.2 -0.502 78.2-115.2 -72.4 140.0 -6.9 -4.6 64.0 294 311 A P G > S+ 0 0 66 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.708 110.4 70.3 -47.2 -23.7 -9.6 -4.9 66.8 295 312 A Y G 3 S+ 0 0 13 -27,-0.3 3,-0.3 1,-0.2 -26,-0.1 0.829 105.3 38.0 -66.0 -31.4 -11.0 -1.5 65.8 296 313 A L G X> S+ 0 0 0 -3,-2.4 4,-2.3 -6,-0.2 3,-2.1 0.192 78.8 117.1-105.1 17.0 -12.4 -2.9 62.5 297 314 A E T <4 + 0 0 121 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.731 69.1 63.3 -57.5 -24.9 -13.5 -6.3 63.7 298 315 A Q T 34 S+ 0 0 144 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.707 118.8 26.6 -72.5 -18.7 -17.1 -5.6 62.9 299 316 A Y T <4 S+ 0 0 65 -3,-2.1 -2,-0.2 -8,-0.1 -1,-0.2 0.639 88.9 117.9-116.2 -24.5 -16.1 -5.3 59.2 300 317 A Y < + 0 0 95 -4,-2.3 -8,-0.1 -9,-0.1 5,-0.0 -0.273 21.1 144.2 -56.7 123.4 -13.0 -7.5 58.8 301 318 A D > - 0 0 69 -2,-0.1 3,-2.2 1,-0.0 -1,-0.0 -0.685 29.5-165.0-160.8 91.3 -13.5 -10.4 56.5 302 319 A P G > S+ 0 0 69 0, 0.0 3,-1.2 0, 0.0 -2,-0.0 0.757 89.5 61.0 -55.3 -27.5 -10.3 -11.2 54.5 303 320 A S G 3 S+ 0 0 105 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.599 107.3 45.8 -75.4 -13.5 -12.3 -13.3 52.0 304 321 A D G < S+ 0 0 83 -3,-2.2 -1,-0.3 1,-0.1 -3,-0.0 -0.007 94.9 83.5-114.9 25.0 -14.3 -10.2 51.1 305 322 A E S < S- 0 0 4 -3,-1.2 -1,-0.1 -184,-0.0 -5,-0.0 -0.739 77.0-154.3-128.4 77.9 -11.2 -8.0 50.8 306 323 A P - 0 0 55 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.041 7.7-152.8 -57.1 150.5 -10.1 -8.7 47.2 307 324 A I - 0 0 96 -182,-0.1 2,-0.2 -183,-0.1 -185,-0.1 -0.810 36.0 -79.0-119.8 163.3 -6.6 -8.4 45.8 308 325 A A - 0 0 13 -186,-0.5 -247,-0.1 -2,-0.3 -245,-0.0 -0.429 23.8-148.0 -69.5 134.3 -5.5 -7.7 42.3 309 326 A E S S+ 0 0 192 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.913 91.8 24.5 -63.6 -44.3 -5.5 -10.5 39.7 310 327 A A S S- 0 0 55 -250,-0.1 -1,-0.3 -3,-0.0 -184,-0.1 -0.928 80.2-146.1-132.7 108.6 -2.5 -9.0 37.8 311 328 A P 0 0 74 0, 0.0 -184,-0.2 0, 0.0 -185,-0.1 -0.307 360.0 360.0 -70.8 151.4 0.0 -6.7 39.5 312 329 A F 0 0 57 -186,-2.5 -155,-0.1 -2,-0.0 -255,-0.0 -0.550 360.0 360.0 -78.0 360.0 1.8 -3.8 37.8 313 ! 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 0.0 314 338 A L 0 0 125 0, 0.0 -265,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 141.2 9.0 9.5 26.4 315 339 A P > - 0 0 77 0, 0.0 4,-1.7 0, 0.0 3,-0.5 -0.209 360.0-112.8 -61.9 151.6 8.1 12.5 24.1 316 340 A K H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.816 116.2 60.3 -52.4 -33.0 4.6 14.0 24.5 317 341 A E H > S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.924 106.5 42.6 -62.0 -49.1 3.8 12.7 21.0 318 342 A K H > S+ 0 0 86 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.771 114.5 52.2 -70.0 -28.3 4.4 9.0 21.8 319 343 A L H X S+ 0 0 11 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.848 107.5 51.4 -75.5 -35.1 2.5 9.5 25.1 320 344 A K H X S+ 0 0 42 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.864 110.5 50.5 -65.9 -35.6 -0.4 11.1 23.2 321 345 A E H X S+ 0 0 85 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.877 110.2 48.7 -68.2 -41.0 -0.3 8.0 21.0 322 346 A L H X S+ 0 0 37 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.854 110.0 51.2 -69.5 -37.0 -0.3 5.7 24.0 323 347 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.903 110.3 50.5 -66.1 -39.6 -3.3 7.6 25.6 324 348 A F H < S+ 0 0 30 -4,-1.9 4,-0.4 1,-0.2 3,-0.2 0.929 113.3 44.3 -62.5 -47.6 -5.1 7.2 22.3 325 349 A E H < S+ 0 0 104 -4,-2.3 3,-0.3 1,-0.2 4,-0.2 0.792 111.9 54.2 -67.6 -29.0 -4.4 3.4 22.2 326 350 A E H < S+ 0 0 39 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.778 112.6 42.4 -76.4 -27.9 -5.3 3.1 25.9 327 351 A T S >< S+ 0 0 0 -4,-1.6 3,-1.3 -3,-0.2 -1,-0.2 0.376 86.6 98.0 -99.8 3.5 -8.7 4.7 25.4 328 352 A A G > + 0 0 46 -4,-0.4 3,-1.4 -3,-0.3 -1,-0.2 0.764 67.7 70.0 -63.9 -28.3 -9.5 2.9 22.1 329 353 A R G 3 S+ 0 0 144 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.635 95.1 55.7 -68.2 -11.9 -11.7 0.2 23.7 330 354 A F G < S+ 0 0 41 -3,-1.3 -1,-0.2 4,-0.0 -258,-0.2 0.426 80.3 118.5 -99.5 -0.5 -14.5 2.7 24.5 331 355 A Q S X> S- 0 0 39 -3,-1.4 4,-1.1 -4,-0.2 3,-1.0 -0.440 77.4-113.5 -71.8 140.5 -15.0 4.0 21.0 332 356 A P T 34 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.566 100.9 84.5 -44.8 -19.3 -18.4 3.5 19.2 333 357 A G T 34 S+ 0 0 73 1,-0.2 -4,-0.1 2,-0.2 -3,-0.0 0.958 105.1 20.9 -53.3 -62.0 -16.8 1.1 16.7 334 358 A Y T <4 0 0 244 -3,-1.0 -1,-0.2 1,-0.2 -5,-0.1 0.686 360.0 360.0 -81.5 -18.5 -17.0 -2.1 18.8 335 359 A R < 0 0 157 -4,-1.1 -2,-0.2 0, 0.0 -1,-0.2 0.711 360.0 360.0 -71.4 360.0 -19.8 -0.5 20.9