==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN, TRANSFERASE 18-DEC-08 3FL4 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,M.KNAPP . 339 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 64.0 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 . 38 11.2 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 . 26 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 28.6 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 3 1 1 1 0 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 1 2 1 2 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 0 2 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 0 238 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.4 19.5 44.3 100.1 2 5 A R - 0 0 97 1,-0.1 3,-0.1 88,-0.0 88,-0.0 -0.493 360.0-134.3 -71.3 125.3 21.7 46.6 102.3 3 6 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.244 25.6 -96.8 -70.5 164.8 24.9 45.0 103.6 4 7 A T - 0 0 85 -2,-0.0 15,-2.4 1,-0.0 2,-0.3 -0.713 40.3-150.7 -82.1 133.0 26.2 45.2 107.2 5 8 A F E -A 18 0A 27 -2,-0.4 2,-0.3 13,-0.2 11,-0.0 -0.796 8.2-162.0-104.4 146.5 28.8 47.9 107.7 6 9 A Y E -A 17 0A 62 11,-2.4 11,-1.9 -2,-0.3 2,-0.3 -0.926 14.9-125.8-126.1 158.6 31.6 48.0 110.2 7 10 A R E +A 16 0A 153 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.775 29.0 162.4-110.7 147.1 33.7 50.9 111.5 8 11 A Q E -A 15 0A 67 7,-1.8 7,-3.0 -2,-0.3 2,-0.5 -0.945 34.1-127.7-161.8 132.1 37.4 51.5 111.7 9 12 A E E +A 14 0A 147 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.770 48.2 139.2 -85.0 126.9 39.8 54.5 112.1 10 13 A L + 0 0 36 3,-1.8 2,-0.9 -2,-0.5 -1,-0.2 0.579 68.6 26.6-130.2 -75.3 42.3 54.6 109.3 11 14 A N S S- 0 0 52 2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.487 125.0 -78.7 -96.1 60.5 43.3 57.9 107.7 12 15 A K S S+ 0 0 188 -2,-0.9 2,-0.3 1,-0.2 -1,-0.1 0.649 116.2 92.0 41.7 23.3 42.4 59.8 110.9 13 16 A T S S- 0 0 54 -5,-0.1 -3,-1.8 2,-0.0 2,-0.9 -0.950 88.2-104.5-129.8 156.2 38.7 59.5 109.9 14 17 A I E -A 9 0A 84 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.731 34.3-155.7 -84.2 108.2 36.2 56.8 110.7 15 18 A W E -A 8 0A 2 -7,-3.0 -7,-1.8 -2,-0.9 2,-0.5 -0.739 7.3-168.0 -84.0 126.2 35.8 54.5 107.7 16 19 A E E +A 7 0A 47 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.949 20.7 162.1-118.1 107.9 32.5 52.6 107.6 17 20 A V E -A 6 0A 3 -11,-1.9 -11,-2.4 -2,-0.5 -2,-0.0 -0.903 42.7 -89.6-129.5 151.0 32.5 49.9 104.9 18 21 A P E > -A 5 0A 2 0, 0.0 3,-2.1 0, 0.0 -13,-0.2 -0.272 41.8-112.4 -55.8 145.7 30.5 46.7 104.1 19 22 A E T 3 S+ 0 0 109 -15,-2.4 22,-0.1 1,-0.3 -14,-0.1 0.751 110.4 74.6 -49.3 -34.8 31.7 43.5 105.7 20 23 A R T 3 S+ 0 0 58 -16,-0.2 21,-2.7 20,-0.1 2,-0.6 0.797 83.9 77.3 -52.2 -31.2 32.8 42.1 102.3 21 24 A Y E < +B 40 0B 0 -3,-2.1 2,-0.3 19,-0.2 19,-0.2 -0.756 67.2 171.5 -90.3 118.7 35.8 44.5 102.4 22 25 A Q E +B 39 0B 70 17,-2.5 17,-3.0 -2,-0.6 -2,-0.0 -0.822 46.4 27.9-127.0 160.2 38.6 43.2 104.7 23 26 A N E S- 0 0 125 -2,-0.3 -1,-0.2 15,-0.2 2,-0.2 0.874 71.1-167.3 58.5 44.8 42.2 44.0 105.7 24 27 A L E + 0 0 12 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.436 12.9 169.9 -65.8 131.8 41.9 47.8 104.9 25 28 A S E -B 37 0B 66 12,-2.2 12,-3.5 -2,-0.2 -15,-0.1 -0.972 36.0-109.8-148.1 126.8 45.3 49.4 104.9 26 29 A P E -B 36 0B 60 0, 0.0 2,-0.3 0, 0.0 10,-0.3 -0.272 38.2-168.0 -56.6 139.3 46.2 53.0 103.7 27 30 A V > + 0 0 45 8,-2.1 3,-0.6 1,-0.1 8,-0.4 -0.919 56.4 25.6-128.8 157.5 48.2 53.2 100.4 28 31 A G G > S- 0 0 26 -2,-0.3 3,-1.9 1,-0.2 5,-0.1 0.367 96.5-107.2 79.3 -2.4 50.2 55.9 98.5 29 32 A S G 3 S- 0 0 131 1,-0.3 -1,-0.2 6,-0.1 5,-0.1 0.906 83.4 -41.1 39.9 58.8 50.9 57.9 101.7 30 33 A G G X S+ 0 0 59 -3,-0.6 3,-1.4 3,-0.4 -1,-0.3 0.021 116.6 108.0 90.6 -26.3 48.4 60.7 100.8 31 34 A A T < S+ 0 0 81 -3,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.749 85.7 37.6 -58.4 -30.9 49.3 60.8 97.1 32 35 A Y T 3 S- 0 0 107 1,-0.5 2,-0.3 -5,-0.4 -1,-0.3 0.440 116.2-112.2 -99.6 -1.8 46.1 59.2 95.9 33 36 A G S < S- 0 0 40 -3,-1.4 2,-1.5 2,-0.1 -1,-0.5 -0.786 76.4 -15.6 100.9-152.5 43.9 60.9 98.5 34 37 A S S S+ 0 0 34 17,-0.4 17,-2.6 -2,-0.3 2,-0.4 -0.689 91.4 154.7 -88.0 84.5 42.2 59.0 101.3 35 38 A V E - C 0 50B 12 -2,-1.5 -8,-2.1 -8,-0.4 2,-0.4 -0.951 25.0-169.4-122.0 132.4 42.7 55.6 99.7 36 39 A C E -BC 26 49B 0 13,-2.9 13,-3.4 -2,-0.4 2,-0.3 -0.959 19.3-133.5-119.3 138.3 42.9 52.1 101.3 37 40 A A E +BC 25 48B 9 -12,-3.5 -12,-2.2 -2,-0.4 2,-0.3 -0.655 38.4 166.0 -78.1 145.3 43.9 48.8 99.9 38 41 A A E - C 0 47B 5 9,-2.4 9,-2.9 -2,-0.3 2,-0.5 -0.969 38.6-114.3-153.0 165.1 41.5 46.0 100.8 39 42 A F E -BC 22 46B 80 -17,-3.0 -17,-2.5 -2,-0.3 2,-1.0 -0.951 23.3-146.5-105.8 122.7 40.5 42.4 100.0 40 43 A D E >>> -BC 21 45B 1 5,-2.9 4,-2.8 -2,-0.5 3,-0.6 -0.793 10.8-169.8 -89.4 102.7 37.0 42.0 98.5 41 44 A T T 345S+ 0 0 76 -21,-2.7 -1,-0.2 -2,-1.0 -20,-0.1 0.637 82.0 61.2 -68.4 -16.5 35.8 38.7 99.8 42 45 A K T 345S+ 0 0 157 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.854 122.7 16.7 -77.2 -36.9 32.8 38.7 97.5 43 46 A T T <45S- 0 0 72 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.574 96.4-122.6-112.9 -17.4 34.9 38.8 94.3 44 47 A G T <5 + 0 0 45 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.585 66.7 137.1 79.0 12.1 38.3 37.7 95.4 45 48 A L E < -C 40 0B 61 -5,-0.6 -5,-2.9 -6,-0.0 2,-0.5 -0.669 59.5-127.1 -92.3 143.3 39.8 40.9 94.1 46 49 A R E -C 39 0B 176 -2,-0.3 58,-2.4 -7,-0.2 2,-0.3 -0.803 44.4-169.2 -79.6 127.1 42.4 43.1 95.7 47 50 A V E -CD 38 103B 0 -9,-2.9 -9,-2.4 -2,-0.5 2,-0.5 -0.832 28.5-134.3-125.1 156.8 40.7 46.5 95.6 48 51 A A E -CD 37 102B 16 54,-2.8 54,-2.4 -2,-0.3 2,-0.5 -0.966 22.4-160.7-106.7 126.8 41.4 50.2 96.2 49 52 A V E -CD 36 101B 0 -13,-3.4 -13,-2.9 -2,-0.5 2,-0.5 -0.946 3.2-164.3-111.2 119.1 38.8 52.0 98.3 50 53 A K E -CD 35 100B 46 50,-3.3 50,-2.9 -2,-0.5 2,-0.6 -0.914 4.8-159.1-106.6 123.0 38.6 55.8 98.1 51 54 A K E D 0 99B 24 -17,-2.6 -17,-0.4 -2,-0.5 48,-0.2 -0.888 360.0 360.0 -97.0 121.5 36.7 57.8 100.7 52 55 A L 0 0 56 46,-2.6 46,-0.2 -2,-0.6 -19,-0.0 -0.345 360.0 360.0 -76.6 360.0 35.8 61.3 99.4 53 ! 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 54 58 A P 0 0 33 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -12.6 32.2 66.0 99.4 55 59 A F + 0 0 19 41,-0.2 273,-0.1 1,-0.1 6,-0.1 -0.153 360.0 122.8-121.6 37.4 29.3 68.5 99.6 56 60 A Q S S- 0 0 166 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.784 82.7 -1.4 -70.7 -32.4 31.2 71.3 101.4 57 61 A S S > S- 0 0 38 -3,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.891 80.1 -95.2-146.3 176.2 30.5 73.8 98.6 58 62 A I H > S+ 0 0 85 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.929 125.9 48.5 -60.6 -45.8 28.9 74.1 95.1 59 63 A I H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 114.3 45.7 -62.5 -42.0 32.3 73.5 93.5 60 64 A H H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.917 113.1 48.7 -67.8 -46.8 33.0 70.5 95.7 61 65 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.898 113.1 47.8 -60.4 -42.8 29.5 68.9 95.3 62 66 A K H X S+ 0 0 28 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.889 111.6 50.5 -65.7 -39.4 29.7 69.3 91.5 63 67 A R H X S+ 0 0 115 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.855 109.4 51.3 -66.7 -36.1 33.2 67.8 91.5 64 68 A T H X S+ 0 0 11 -4,-2.2 4,-2.1 -10,-0.4 -2,-0.2 0.935 112.7 45.2 -63.6 -47.6 31.9 64.8 93.6 65 69 A Y H X S+ 0 0 10 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.923 112.4 52.7 -59.4 -47.2 29.0 64.3 91.1 66 70 A R H X S+ 0 0 56 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.918 109.5 47.5 -54.3 -52.3 31.5 64.7 88.1 67 71 A E H X S+ 0 0 49 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.906 113.7 47.4 -60.3 -44.3 33.9 62.0 89.5 68 72 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.932 112.8 49.1 -63.7 -45.2 31.1 59.6 90.2 69 73 A R H X S+ 0 0 37 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.916 113.8 46.4 -58.5 -45.2 29.6 60.1 86.7 70 74 A L H X S+ 0 0 12 -4,-2.7 4,-1.6 -5,-0.2 3,-0.5 0.960 114.7 45.6 -63.0 -53.4 33.0 59.6 85.0 71 75 A L H < S+ 0 0 22 -4,-2.6 11,-0.8 1,-0.2 -2,-0.2 0.846 110.9 53.5 -58.9 -40.0 33.9 56.5 87.0 72 76 A K H < S+ 0 0 39 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.806 110.3 48.8 -64.5 -30.8 30.4 55.0 86.5 73 77 A H H < S+ 0 0 37 -4,-1.4 2,-0.6 -3,-0.5 238,-0.2 0.845 87.8 93.9 -77.2 -34.8 30.7 55.4 82.7 74 78 A M < + 0 0 3 -4,-1.6 8,-0.4 6,-0.2 2,-0.3 -0.481 38.9 159.0 -75.7 110.5 34.2 53.9 82.2 75 79 A K + 0 0 161 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.738 30.7 113.5-132.1 82.0 34.0 50.3 81.2 76 80 A H B > -F 79 0C 20 3,-0.5 3,-1.9 -2,-0.3 54,-0.0 -0.988 68.9-121.3-155.7 139.4 37.3 49.3 79.5 77 81 A E T 3 S+ 0 0 127 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.782 113.8 43.9 -51.1 -35.3 40.3 47.1 80.3 78 82 A N T 3 S+ 0 0 5 80,-0.1 81,-2.0 48,-0.1 2,-0.4 0.173 104.4 73.8-103.0 15.5 42.7 50.0 80.2 79 83 A V B < S-Fg 76 159C 3 -3,-1.9 -3,-0.5 79,-0.3 2,-0.2 -0.998 86.5-111.2-132.1 131.0 40.7 52.5 82.1 80 84 A I + 0 0 9 79,-2.6 2,-0.2 -2,-0.4 -6,-0.2 -0.443 48.3 175.2 -59.3 122.8 40.0 52.6 85.9 81 85 A G - 0 0 13 -2,-0.2 2,-0.6 -4,-0.1 22,-0.3 -0.619 33.3 -82.8-124.2-175.8 36.3 51.8 86.4 82 86 A L + 0 0 17 -11,-0.8 20,-0.2 -8,-0.4 3,-0.1 -0.814 31.4 171.6-103.6 116.0 33.9 51.3 89.3 83 87 A L S S- 0 0 24 18,-2.9 2,-0.3 -2,-0.6 19,-0.2 0.784 78.0 -13.3 -81.1 -32.1 33.7 47.9 91.0 84 88 A D E -E 101 0B 22 17,-1.3 17,-2.6 256,-0.1 -1,-0.4 -0.977 52.1-163.8-163.8 154.5 31.4 49.3 93.7 85 89 A V E +E 100 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.952 25.2 163.7-144.6 133.8 30.2 52.6 95.2 86 90 A F E -E 99 0B 14 13,-1.8 13,-2.2 -2,-0.3 250,-0.1 -0.966 25.5-161.3-146.4 163.0 28.5 52.8 98.6 87 91 A T - 0 0 11 -2,-0.3 11,-0.1 2,-0.2 8,-0.1 -0.981 23.0-139.4-139.4 141.0 27.5 55.0 101.5 88 92 A P S S+ 0 0 19 0, 0.0 -83,-0.1 0, 0.0 7,-0.1 0.662 74.8 110.0 -69.7 -15.0 26.6 53.9 105.1 89 93 A A - 0 0 12 8,-0.2 -2,-0.2 1,-0.1 6,-0.1 -0.312 57.6-158.7 -63.4 141.1 23.7 56.4 104.9 90 94 A R S S+ 0 0 172 1,-0.1 2,-0.3 -88,-0.0 -1,-0.1 0.556 74.2 20.6 -95.9 -12.3 20.2 55.0 104.8 91 95 A S S > S- 0 0 33 1,-0.1 4,-0.8 0, 0.0 3,-0.5 -0.962 82.7-101.9-150.9 164.8 18.7 58.1 103.3 92 96 A L T 4 S+ 0 0 52 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.846 116.0 59.9 -55.5 -38.8 19.4 61.4 101.4 93 97 A E T 4 S+ 0 0 156 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.855 112.3 35.8 -63.2 -38.8 19.3 63.4 104.6 94 98 A E T 4 S+ 0 0 106 -3,-0.5 2,-0.4 -6,-0.0 -1,-0.2 0.460 89.7 119.6 -93.8 -2.0 22.1 61.5 106.4 95 99 A F < + 0 0 0 -4,-0.8 3,-0.1 -3,-0.4 237,-0.1 -0.506 20.4 128.9 -66.6 116.4 24.0 61.1 103.1 96 100 A N + 0 0 94 -2,-0.4 2,-0.4 1,-0.2 -41,-0.2 0.314 53.7 65.7-150.8 -0.2 27.4 62.8 103.6 97 101 A D - 0 0 48 -3,-0.1 2,-0.4 -43,-0.1 -8,-0.2 -0.993 52.8-166.0-133.5 141.2 30.1 60.2 102.6 98 102 A V - 0 0 1 -2,-0.4 -46,-2.6 -46,-0.2 2,-0.5 -0.992 4.5-166.7-127.4 124.7 30.9 58.6 99.2 99 103 A Y E -DE 51 86B 1 -13,-2.2 -13,-1.8 -2,-0.4 2,-0.4 -0.949 5.2-162.5-112.7 129.1 33.2 55.5 99.0 100 104 A L E -DE 50 85B 8 -50,-2.9 -50,-3.3 -2,-0.5 2,-0.4 -0.921 2.8-160.9-114.3 135.7 34.5 54.4 95.6 101 105 A V E +DE 49 84B 1 -17,-2.6 -18,-2.9 -2,-0.4 -17,-1.3 -0.964 20.3 149.9-122.7 127.9 36.0 51.0 94.9 102 106 A T E -D 48 0B 19 -54,-2.4 -54,-2.8 -2,-0.4 -20,-0.1 -0.816 51.3 -60.0-137.9 179.7 38.3 49.9 92.0 103 107 A H E -D 47 0B 61 -22,-0.3 2,-0.7 -56,-0.2 -56,-0.3 -0.377 47.7-123.9 -61.0 138.1 41.0 47.4 91.2 104 108 A L - 0 0 43 -58,-2.4 -58,-0.2 -66,-0.1 2,-0.1 -0.803 32.0-156.2 -83.5 116.4 44.2 47.6 93.3 105 109 A M - 0 0 36 -2,-0.7 47,-0.2 1,-0.1 3,-0.1 -0.342 15.0-129.7 -87.8 173.0 47.1 48.0 90.9 106 110 A G S S- 0 0 64 45,-2.0 2,-0.3 1,-0.3 46,-0.2 0.901 73.2 -21.3 -90.8 -50.2 50.7 47.1 91.5 107 111 A A E -H 151 0C 36 44,-1.7 44,-2.9 45,-0.0 -1,-0.3 -0.979 58.7-113.6-156.0 158.6 52.7 50.2 90.6 108 112 A D E > -H 150 0C 16 -2,-0.3 3,-0.5 42,-0.3 42,-0.2 -0.471 44.1 -97.1 -89.2 171.4 52.5 53.4 88.5 109 113 A L G >> S+ 0 0 0 40,-1.9 4,-2.1 37,-1.7 3,-0.9 0.697 121.5 63.5 -65.2 -21.3 54.7 54.1 85.4 110 114 A N G 34 S+ 0 0 72 36,-0.4 2,-0.5 1,-0.3 -1,-0.2 0.934 98.8 54.2 -61.9 -48.3 57.2 56.1 87.5 111 115 A N G <4 S+ 0 0 125 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 -0.082 112.9 45.6 -79.5 34.7 58.0 52.9 89.5 112 116 A I T <4 0 0 55 -3,-0.9 -2,-0.2 -2,-0.5 -1,-0.2 0.419 360.0 360.0-136.8 -47.3 58.8 51.2 86.2 113 117 A V < 0 0 60 -4,-2.1 -2,-0.2 33,-0.0 -3,-0.1 0.957 360.0 360.0 -66.4 360.0 61.0 53.8 84.3 114 ! 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 0.0 115 122 A L 0 0 88 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 120.4 62.3 48.8 79.4 116 123 A T > - 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0 0 34 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.370 27.9-148.2 -58.1 132.5 62.2 63.3 81.1 212 222 A L S S+ 0 0 32 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.934 90.3 18.9 -70.5 -48.6 61.7 64.8 77.7 213 223 A F + 0 0 4 -36,-0.3 2,-2.5 2,-0.1 -1,-0.2 -0.554 68.9 171.3-123.7 68.3 60.9 68.4 78.8 214 224 A P - 0 0 39 0, 0.0 -40,-0.1 0, 0.0 -3,-0.0 -0.351 21.1-176.7 -78.2 65.3 62.1 68.8 82.4 215 225 A G - 0 0 0 -2,-2.5 -42,-0.4 1,-0.1 -39,-0.1 -0.300 31.7-143.0 -67.1 144.6 61.5 72.6 82.4 216 226 A T S S- 0 0 73 1,-0.2 2,-0.3 -44,-0.2 -44,-0.2 0.538 85.4 -13.0 -82.7 -9.7 62.5 74.6 85.5 217 227 A D S > S- 0 0 65 -47,-0.1 4,-2.8 -46,-0.1 5,-0.2 -0.928 90.2 -75.6-173.3 174.0 59.4 76.7 85.0 218 228 A H H > S+ 0 0 60 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.868 128.2 43.6 -48.1 -48.9 56.7 77.3 82.3 219 229 A I H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 113.0 49.2 -70.7 -47.4 59.0 79.5 80.1 220 230 A D H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.917 113.3 50.2 -56.5 -42.1 62.1 77.2 80.4 221 231 A Q H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.906 107.7 51.4 -64.7 -42.4 59.8 74.3 79.5 222 232 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.918 110.1 50.9 -59.1 -42.0 58.3 76.1 76.5 223 233 A K H X S+ 0 0 108 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.880 109.1 50.2 -63.7 -40.8 61.9 76.8 75.3 224 234 A L H X S+ 0 0 43 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.921 113.2 47.5 -59.3 -46.0 62.7 73.1 75.7 225 235 A I H >X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-0.5 0.946 111.9 47.7 -60.6 -52.7 59.6 72.2 73.7 226 236 A L H 3X S+ 0 0 1 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.785 104.7 60.5 -65.1 -28.6 60.3 74.7 70.9 227 237 A R H 3< S+ 0 0 139 -4,-1.8 -1,-0.2 -5,-0.2 31,-0.2 0.897 113.8 37.7 -64.4 -36.5 63.9 73.6 70.5 228 238 A L H << S+ 0 0 9 -4,-1.2 30,-2.7 -3,-0.5 -2,-0.2 0.947 130.7 25.2 -76.6 -51.6 62.7 70.1 69.7 229 239 A V H < S- 0 0 20 -4,-2.5 28,-0.3 28,-0.2 52,-0.3 0.472 109.8-113.3-100.6 -5.0 59.6 70.8 67.5 230 240 A G < - 0 0 4 -4,-1.8 -1,-0.2 26,-0.4 -3,-0.1 0.091 37.9 -64.5 90.3 156.4 60.4 74.3 66.2 231 241 A T - 0 0 28 24,-2.0 26,-0.1 1,-0.1 50,-0.1 -0.445 68.1 -89.3 -70.6 150.4 58.8 77.7 66.8 232 242 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.269 39.2-135.3 -63.7 148.8 55.2 78.1 65.5 233 243 A G > - 0 0 45 -3,-0.1 4,-2.3 1,-0.0 3,-0.2 -0.304 36.0 -85.0 -90.7-178.2 54.5 79.2 62.0 234 244 A A H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.871 124.2 55.6 -55.3 -43.3 51.9 81.7 60.8 235 245 A E H > S+ 0 0 95 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.883 111.5 41.4 -63.0 -44.1 49.0 79.2 60.7 236 246 A L H >> S+ 0 0 9 -3,-0.2 4,-0.9 2,-0.2 3,-0.9 0.894 109.6 58.6 -71.3 -41.3 49.4 78.2 64.3 237 247 A L H >< S+ 0 0 25 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.876 102.9 54.7 -53.1 -41.2 50.0 81.7 65.5 238 248 A K H 3< S+ 0 0 162 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.784 104.6 54.5 -62.2 -30.9 46.6 82.7 64.1 239 249 A K H << S+ 0 0 55 -3,-0.9 2,-1.2 -4,-0.7 -1,-0.2 0.629 81.8 96.0 -82.2 -17.2 44.9 79.9 66.1 240 250 A I << - 0 0 0 -4,-0.9 -52,-0.2 -3,-0.8 6,-0.2 -0.665 55.8-174.0 -75.5 97.4 46.4 81.2 69.4 241 251 A S + 0 0 70 -2,-1.2 2,-1.0 -54,-0.5 -1,-0.2 0.701 60.0 93.6 -69.9 -22.1 43.3 83.2 70.5 242 252 A S > - 0 0 40 -55,-1.8 4,-2.8 1,-0.2 5,-0.2 -0.655 61.4-165.8 -74.5 102.1 45.2 84.6 73.5 243 253 A E H > S+ 0 0 148 -2,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.853 87.5 52.1 -57.8 -38.9 46.6 87.9 72.0 244 254 A S H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.911 112.4 44.1 -64.2 -45.6 49.0 88.2 74.9 245 255 A A H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.895 112.7 51.4 -67.1 -43.4 50.4 84.7 74.5 246 256 A R H X S+ 0 0 67 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.902 108.4 53.6 -58.9 -43.1 50.6 85.1 70.7 247 257 A N H < S+ 0 0 116 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.896 109.0 47.6 -59.1 -44.9 52.5 88.3 71.2 248 258 A Y H >< S+ 0 0 74 -4,-1.7 3,-1.4 1,-0.2 4,-0.4 0.912 106.9 56.7 -63.8 -44.5 55.1 86.7 73.5 249 259 A I H >< S+ 0 0 7 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.883 102.4 55.4 -54.9 -42.2 55.7 83.7 71.0 250 260 A Q T 3< S+ 0 0 126 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.640 96.1 66.9 -69.1 -15.1 56.6 86.1 68.2 251 261 A S T < S+ 0 0 82 -3,-1.4 -1,-0.3 -4,-0.5 2,-0.2 0.643 84.4 96.1 -76.9 -15.8 59.3 87.7 70.4 252 262 A L S < S- 0 0 31 -3,-1.5 2,-0.2 -4,-0.4 3,-0.1 -0.530 87.0-107.0 -81.7 140.9 61.3 84.4 70.3 253 263 A T - 0 0 124 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.475 47.0-107.0 -61.3 129.3 64.1 83.7 67.9 254 264 A Q - 0 0 162 -2,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.315 39.6-171.0 -64.9 143.1 62.8 81.3 65.3 255 265 A M - 0 0 60 -29,-0.1 -24,-2.0 -3,-0.1 2,-0.1 -0.997 17.7-126.7-136.2 139.5 64.0 77.7 65.4 256 266 A P - 0 0 110 0, 0.0 -26,-0.4 0, 0.0 2,-0.2 -0.482 39.5 -89.7 -80.8 158.8 63.6 74.8 63.0 257 267 A K - 0 0 101 -28,-0.3 -28,-0.2 -2,-0.1 -29,-0.1 -0.457 48.1-122.0 -61.1 133.0 62.2 71.4 64.1 258 268 A M - 0 0 64 -30,-2.7 2,-0.8 -31,-0.2 -1,-0.1 -0.323 25.5 -98.5 -74.3 160.6 65.1 69.0 65.2 259 269 A N >> - 0 0 90 1,-0.2 3,-1.5 -2,-0.1 4,-0.7 -0.751 29.9-155.7 -79.9 108.9 65.8 65.7 63.6 260 270 A F H 3> S+ 0 0 1 -2,-0.8 4,-3.1 1,-0.3 3,-0.5 0.777 90.5 63.4 -60.4 -28.9 64.1 63.2 66.0 261 271 A A H 34 S+ 0 0 53 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.765 104.2 48.2 -66.4 -26.1 66.5 60.4 64.9 262 272 A N H <4 S+ 0 0 116 -3,-1.5 3,-0.3 3,-0.1 -1,-0.2 0.607 114.9 45.7 -86.1 -15.1 69.4 62.5 66.4 263 273 A V H < S+ 0 0 47 -4,-0.7 2,-0.8 -3,-0.5 -2,-0.2 0.852 116.6 42.2 -89.9 -44.8 67.4 63.0 69.6 264 274 A F S >< S- 0 0 8 -4,-3.1 3,-1.9 3,-0.1 -1,-0.2 -0.510 87.9-166.3-103.6 64.2 66.3 59.4 70.1 265 275 A I T 3 + 0 0 147 -2,-0.8 -3,-0.1 -3,-0.3 -4,-0.1 -0.248 68.2 5.1 -59.4 126.3 69.6 57.7 69.2 266 276 A G T 3 S+ 0 0 83 -5,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.389 95.0 137.7 84.4 -1.9 69.3 54.0 68.6 267 277 A A < - 0 0 27 -3,-1.9 -1,-0.3 -6,-0.2 5,-0.1 -0.401 69.6 -81.2 -77.8 152.4 65.5 53.9 69.0 268 278 A N >> - 0 0 46 1,-0.2 4,-2.0 -2,-0.1 3,-0.8 -0.310 38.7-134.3 -45.7 121.0 63.2 51.8 66.7 269 279 A P H 3> S+ 0 0 104 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.776 107.5 56.4 -55.6 -27.4 62.7 54.0 63.6 270 280 A L H 3> S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.828 105.4 50.5 -72.6 -33.3 59.0 53.3 63.8 271 281 A A H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.900 110.0 50.1 -66.5 -43.1 58.9 54.7 67.4 272 282 A V H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.933 110.3 51.0 -59.5 -46.4 60.7 57.8 66.2 273 283 A D H X S+ 0 0 50 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.919 111.0 47.2 -57.2 -47.4 58.1 58.2 63.4 274 284 A L H >X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 3,-0.6 0.906 109.8 53.1 -64.0 -42.9 55.2 57.9 65.9 275 285 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 3,-0.4 0.891 105.6 54.7 -57.2 -43.4 56.8 60.4 68.3 276 286 A E H 3< S+ 0 0 60 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.780 110.2 47.3 -59.6 -29.4 57.1 62.9 65.4 277 287 A K H << S+ 0 0 87 -4,-1.1 10,-2.3 -3,-0.6 3,-0.3 0.695 116.4 42.3 -87.0 -22.0 53.4 62.5 64.8 278 288 A M H < S+ 0 0 0 -4,-1.4 2,-1.0 -3,-0.4 -2,-0.2 0.796 107.7 59.7 -90.6 -36.1 52.4 62.9 68.4 279 289 A L S < S+ 0 0 4 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 -0.466 70.8 137.0 -97.7 59.3 54.7 65.8 69.3 280 290 A V - 0 0 41 -2,-1.0 6,-0.1 -3,-0.3 5,-0.1 -0.901 52.1-140.7-103.7 134.3 53.4 68.3 66.8 281 291 A L S S+ 0 0 15 -2,-0.4 2,-0.6 -52,-0.3 -99,-0.2 0.925 88.1 71.7 -63.1 -47.1 53.0 71.8 68.1 282 292 A D S > S- 0 0 11 1,-0.2 3,-1.6 -3,-0.1 4,-0.4 -0.619 72.8-155.8 -71.8 113.1 49.7 72.5 66.2 283 293 A S G > S+ 0 0 6 -2,-0.6 3,-0.7 1,-0.3 -1,-0.2 0.763 89.6 66.3 -64.7 -27.9 47.1 70.3 68.0 284 294 A D G 3 S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.740 105.9 44.0 -59.5 -24.8 44.9 70.2 64.9 285 295 A K G < S+ 0 0 118 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.450 85.7 114.1-108.4 -2.8 47.6 68.2 63.2 286 296 A R S < S- 0 0 7 -3,-0.7 -8,-0.2 -4,-0.4 -9,-0.1 -0.381 76.2-100.4 -65.6 145.0 48.6 65.7 66.0 287 297 A I - 0 0 16 -10,-2.3 2,-0.1 -13,-0.2 -1,-0.1 -0.381 38.9-128.6 -60.6 141.9 47.8 62.0 65.4 288 298 A T > - 0 0 52 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.439 21.6-107.1 -86.3 168.6 44.6 60.8 67.2 289 299 A A H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -157,-0.2 0.944 121.4 49.3 -60.7 -47.6 44.4 57.8 69.5 290 300 A A H > S+ 0 0 50 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.904 113.8 46.0 -59.2 -43.4 42.5 55.8 66.8 291 301 A Q H >4 S+ 0 0 111 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.907 110.2 53.3 -65.5 -43.4 45.1 56.7 64.2 292 302 A A H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 6,-0.3 0.857 101.1 60.5 -61.4 -38.1 48.1 55.9 66.4 293 303 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.811 104.5 50.1 -58.8 -31.0 46.7 52.4 67.2 294 304 A A T << S+ 0 0 64 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.379 85.3 117.9 -89.8 1.5 46.9 51.6 63.4 295 305 A H S X S- 0 0 21 -3,-1.6 3,-2.0 -4,-0.2 7,-0.1 -0.450 78.4-115.9 -69.1 144.1 50.6 52.9 63.2 296 306 A A G > S+ 0 0 56 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.716 108.1 75.0 -54.6 -26.3 53.1 50.2 62.2 297 307 A Y G 3 S+ 0 0 4 -27,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.815 99.6 44.3 -56.4 -31.9 54.9 50.5 65.6 298 308 A F G X> S+ 0 0 0 -3,-2.0 4,-3.0 -6,-0.3 3,-1.9 0.133 74.8 125.5-102.1 20.3 52.0 48.5 67.2 299 309 A A T <4 S+ 0 0 77 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.828 73.7 49.5 -46.4 -43.7 51.7 45.8 64.4 300 310 A Q T 34 S+ 0 0 112 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.607 122.5 31.6 -77.9 -12.1 52.1 42.9 66.9 301 311 A Y T <4 S+ 0 0 68 -3,-1.9 -2,-0.2 -8,-0.1 -1,-0.2 0.653 89.6 110.6-112.5 -26.3 49.4 44.3 69.3 302 312 A H < + 0 0 60 -4,-3.0 -8,-0.1 -7,-0.1 3,-0.1 -0.300 30.8 163.4 -63.8 128.7 46.9 46.1 67.0 303 313 A D > - 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0 0 91 -3,-1.3 2,-0.6 -4,-0.1 -3,-0.0 -0.749 59.8-150.6 -99.2 135.8 24.5 73.5 84.5 321 331 A D + 0 0 150 -2,-0.4 2,-0.3 0, 0.0 -2,-0.0 -0.930 29.6 161.4-104.1 122.3 24.4 75.7 87.6 322 332 A L - 0 0 41 -2,-0.6 -260,-0.1 -264,-0.1 2,-0.1 -0.908 38.0-100.7-136.2 163.8 22.8 74.0 90.6 323 333 A L > - 0 0 113 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.375 39.9-104.9 -78.7 162.4 22.6 74.3 94.4 324 334 A I H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.930 121.5 49.0 -52.3 -52.5 24.6 72.2 96.8 325 335 A D H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.751 109.5 54.4 -63.2 -26.5 21.6 70.0 97.8 326 336 A E H > S+ 0 0 90 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.919 110.1 43.7 -73.2 -46.6 20.7 69.6 94.1 327 337 A W H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.887 114.7 53.0 -60.8 -38.9 24.2 68.2 93.2 328 338 A K H X S+ 0 0 34 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.896 108.9 47.5 -62.5 -44.8 24.0 66.1 96.4 329 339 A S H X S+ 0 0 38 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.912 111.9 50.3 -63.4 -44.6 20.6 64.6 95.4 330 340 A L H X S+ 0 0 45 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.924 111.7 48.4 -57.7 -47.0 22.0 63.9 91.9 331 341 A T H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.912 109.9 52.4 -58.3 -45.8 25.0 62.2 93.4 332 342 A Y H X S+ 0 0 35 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.919 107.1 52.2 -58.8 -46.4 22.8 60.2 95.8 333 343 A D H X S+ 0 0 88 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.891 109.6 50.3 -54.8 -42.7 20.6 59.0 92.8 334 344 A E H < S+ 0 0 45 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.866 110.8 48.3 -67.7 -37.9 23.8 57.8 91.1 335 345 A V H >< S+ 0 0 12 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.937 113.7 47.1 -62.7 -48.9 25.1 55.9 94.2 336 346 A I H 3< S+ 0 0 105 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.809 112.1 49.9 -64.1 -34.1 21.7 54.2 94.6 337 347 A S T 3< S+ 0 0 68 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.436 80.7 128.8 -89.3 -0.3 21.3 53.2 91.0 338 348 A F < - 0 0 34 -3,-1.0 -253,-0.1 -4,-0.4 -3,-0.1 -0.340 40.0-163.7 -63.1 131.9 24.8 51.6 90.7 339 349 A V - 0 0 113 -2,-0.1 -2,-0.1 -255,-0.0 -1,-0.0 -0.979 21.2-123.4-116.4 121.8 24.9 48.1 89.2 340 350 A P - 0 0 80 0, 0.0 -257,-0.1 0, 0.0 -256,-0.1 -0.247 36.0 -94.7 -60.1 150.5 28.2 46.1 89.7 341 351 A P 0 0 67 0, 0.0 -266,-0.0 0, 0.0 -258,-0.0 -0.332 360.0 360.0 -65.4 147.7 30.0 44.8 86.6 342 352 A P 0 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.856 360.0 360.0 -77.7 360.0 29.2 41.2 85.5