==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 24-SEP-10 2XS0 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.BARKAI,I.TOEOROE,A.GARAI,A.REMENYI . 358 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 64.2 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 . 45 12.6 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 . 25 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 6 1 1 0 0 0 0 0 1 0 0 2 1 1 0 1 0 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 1 0 2 2 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 6 A R > 0 0 104 0, 0.0 3,-1.8 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -27.3 -54.8 18.8 -1.4 2 7 A D G > + 0 0 99 1,-0.3 3,-1.4 2,-0.2 88,-0.0 0.648 360.0 79.4 -67.0 -15.4 -52.8 17.3 -4.2 3 8 A N G 3 S+ 0 0 126 1,-0.2 -1,-0.3 3,-0.0 16,-0.0 0.661 85.0 62.7 -65.1 -16.1 -52.4 20.7 -5.7 4 9 A N G < S+ 0 0 82 -3,-1.8 15,-2.2 85,-0.1 2,-0.3 0.538 97.0 67.5 -88.3 -8.4 -49.6 21.4 -3.2 5 10 A F E < -A 18 0A 20 -3,-1.4 2,-0.3 13,-0.2 13,-0.2 -0.734 51.2-176.1-115.0 157.8 -47.3 18.6 -4.5 6 11 A Y E -A 17 0A 60 11,-1.8 11,-1.9 -2,-0.3 2,-0.4 -0.965 20.7-130.5-142.9 160.2 -45.2 17.8 -7.5 7 12 A S E +A 16 0A 71 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.875 20.6 176.8-117.8 145.8 -43.1 14.8 -8.3 8 13 A V E -A 15 0A 46 7,-1.9 7,-3.1 -2,-0.4 2,-0.4 -0.992 29.8-118.5-141.6 146.9 -39.6 14.3 -9.5 9 14 A E E -A 14 0A 115 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.730 20.6-170.3 -86.4 129.5 -37.5 11.1 -10.2 10 15 A I E > -A 13 0A 10 3,-3.7 3,-1.7 -2,-0.4 2,-0.3 -0.898 65.0 -62.7-119.9 99.2 -34.4 10.6 -8.1 11 16 A G T 3 S- 0 0 64 -2,-0.6 -1,-0.0 1,-0.3 0, 0.0 -0.477 121.3 -12.6 55.9-119.6 -32.6 7.7 -9.7 12 17 A D T 3 S+ 0 0 166 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.819 125.4 73.5 -76.5 -34.4 -35.0 4.9 -9.2 13 18 A S E < S-A 10 0A 33 -3,-1.7 -3,-3.7 -4,-0.1 2,-0.6 -0.477 72.0-127.9 -96.6 155.1 -37.4 6.5 -6.8 14 19 A T E -A 9 0A 50 -5,-0.2 2,-0.7 -2,-0.2 -5,-0.2 -0.861 14.6-158.9 -97.1 123.0 -40.1 9.1 -7.0 15 20 A F E -A 8 0A 1 -7,-3.1 -7,-1.9 -2,-0.6 2,-0.8 -0.896 6.0-171.4 -98.4 109.1 -39.9 12.1 -4.6 16 21 A T E +A 7 0A 32 -2,-0.7 2,-0.3 -9,-0.2 -9,-0.2 -0.875 24.9 164.5 -99.1 104.2 -43.4 13.7 -4.3 17 22 A V E -A 6 0A 0 -11,-1.9 -11,-1.8 -2,-0.8 -2,-0.0 -0.804 44.1 -84.1-125.3 155.8 -42.7 16.8 -2.3 18 23 A L E > -A 5 0A 21 -2,-0.3 3,-1.8 -13,-0.2 -13,-0.2 -0.227 46.1-114.2 -53.9 148.2 -44.4 20.2 -1.5 19 24 A K T 3 S+ 0 0 106 -15,-2.2 -1,-0.1 1,-0.3 -14,-0.1 0.678 109.0 76.3 -65.4 -15.8 -43.8 22.7 -4.2 20 25 A R T 3 S+ 0 0 27 -16,-0.2 21,-3.1 20,-0.1 2,-0.6 0.766 82.2 77.1 -64.3 -25.6 -41.7 24.9 -1.8 21 26 A Y E < -B 40 0B 0 -3,-1.8 2,-0.3 19,-0.2 19,-0.2 -0.803 69.8-179.1 -93.1 118.3 -38.8 22.4 -2.3 22 27 A Q E +B 39 0B 83 17,-2.5 17,-2.6 -2,-0.6 -2,-0.0 -0.839 47.7 16.0-120.7 149.0 -37.1 23.0 -5.6 23 28 A N E - 0 0 111 -2,-0.3 -1,-0.2 15,-0.2 14,-0.1 0.892 70.0-159.9 65.9 45.7 -34.2 21.4 -7.5 24 29 A L E + 0 0 18 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.335 14.2 176.6 -59.0 135.4 -33.8 18.2 -5.7 25 30 A K E -B 37 0B 126 12,-1.6 12,-3.0 -15,-0.1 2,-0.2 -0.989 36.1-104.5-137.1 143.6 -30.4 16.5 -6.2 26 31 A P E +B 36 0B 84 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.511 37.2 172.4 -69.0 130.5 -29.2 13.3 -4.5 27 32 A I E - 0 0 85 8,-3.4 2,-0.3 1,-0.4 9,-0.2 0.502 61.0 -27.8-115.6 -10.1 -26.6 14.0 -1.7 28 33 A G E -B 35 0B 35 7,-1.1 7,-2.3 80,-0.0 -1,-0.4 -0.969 55.3-136.8 175.1 177.2 -26.2 10.6 -0.2 29 34 A S E +B 34 0B 109 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.978 24.9 137.1-154.0 164.2 -27.8 7.2 0.4 30 35 A G E > -B 33 0B 50 3,-1.4 3,-1.4 -2,-0.3 -2,-0.0 -0.939 64.7 -38.6-178.1-162.0 -28.3 4.4 2.9 31 36 A A T 3 S+ 0 0 111 1,-0.3 2,-1.3 -2,-0.3 -1,-0.1 0.944 127.4 49.9 -46.1 -65.9 -30.7 1.9 4.4 32 37 A Q T 3 S- 0 0 52 1,-0.1 -1,-0.3 -3,-0.1 19,-0.2 0.010 120.0-103.6 -74.9 33.8 -33.8 4.2 4.5 33 38 A G E < -B 30 0B 34 -3,-1.4 -3,-1.4 -2,-1.3 2,-0.2 -0.396 61.9 -18.7 89.9-158.1 -33.2 5.1 0.8 34 39 A I E -B 29 0B 45 -5,-0.2 17,-1.1 -2,-0.1 2,-0.4 -0.571 49.8-148.7 -91.8 153.1 -31.8 8.2 -0.9 35 40 A V E -BC 28 50B 24 -7,-2.3 -8,-3.4 -2,-0.2 -7,-1.1 -0.984 15.7-160.3-124.1 131.7 -31.4 11.7 0.6 36 41 A C E -BC 26 49B 0 13,-2.5 13,-2.9 -2,-0.4 2,-0.3 -0.749 16.1-133.0-111.7 155.0 -31.7 14.9 -1.5 37 42 A A E +BC 25 48B 16 -12,-3.0 -12,-1.6 -2,-0.3 2,-0.3 -0.733 34.3 172.4 -89.4 152.5 -30.7 18.5 -1.2 38 43 A A E - C 0 47B 3 9,-2.0 9,-2.6 -2,-0.3 2,-0.6 -0.976 35.1-114.9-153.0 163.6 -33.4 21.1 -2.1 39 44 A Y E -BC 22 46B 92 -17,-2.6 -17,-2.5 -2,-0.3 2,-0.8 -0.933 24.9-145.0-102.8 121.6 -34.0 24.8 -2.1 40 45 A D E >> -BC 21 45B 0 5,-2.9 4,-1.4 -2,-0.6 5,-0.8 -0.803 9.0-165.2 -86.0 111.3 -36.8 25.8 0.3 41 46 A A T 45S+ 0 0 52 -21,-3.1 -1,-0.2 -2,-0.8 -20,-0.1 0.725 86.6 48.9 -72.2 -21.4 -38.5 28.7 -1.5 42 47 A I T 45S+ 0 0 103 -22,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.964 120.8 30.9 -79.6 -61.4 -40.3 29.7 1.8 43 48 A L T 45S- 0 0 74 2,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.658 101.8-137.0 -70.2 -15.6 -37.4 29.6 4.2 44 49 A E T <5 + 0 0 140 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.846 67.0 99.9 57.5 38.4 -35.2 30.7 1.3 45 50 A R E - 0 0 96 43,-1.4 3,-2.1 -2,-0.7 -1,-0.3 0.974 67.7-175.3 48.9 65.9 -43.6 2.6 4.4 55 60 A P T 3 S+ 0 0 6 0, 0.0 10,-0.3 0, 0.0 11,-0.2 0.718 82.7 58.3 -60.8 -13.1 -42.0 3.3 7.7 56 61 A F T 3 + 0 0 6 41,-0.3 2,-1.6 5,-0.1 279,-0.2 0.241 68.9 115.8-102.1 10.9 -44.9 1.2 9.0 57 62 A Q S < S- 0 0 71 -3,-2.1 4,-0.3 -4,-0.2 3,-0.1 -0.641 88.8 -16.0 -81.6 86.0 -44.1 -2.0 7.1 58 63 A N S > S- 0 0 62 -2,-1.6 4,-2.0 1,-0.1 5,-0.2 0.079 84.9 -81.9 94.1 155.8 -43.3 -4.2 10.1 59 64 A Q H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.858 121.2 51.7 -60.4 -45.5 -42.5 -3.6 13.8 60 65 A T H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 112.6 45.1 -61.8 -44.9 -38.8 -2.7 13.5 61 66 A H H > S+ 0 0 61 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.895 117.1 45.3 -64.9 -41.5 -39.3 -0.1 10.8 62 67 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.928 112.2 49.2 -72.3 -46.2 -42.2 1.5 12.6 63 68 A K H X S+ 0 0 43 -4,-2.9 4,-2.2 -5,-0.2 262,-0.2 0.941 115.4 45.3 -57.3 -48.9 -40.7 1.6 16.0 64 69 A R H X S+ 0 0 104 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.933 115.8 44.8 -60.8 -50.6 -37.5 3.1 14.7 65 70 A A H X S+ 0 0 3 -4,-2.3 4,-2.3 -10,-0.3 -1,-0.2 0.872 112.5 50.9 -65.5 -40.7 -39.2 5.7 12.5 66 71 A Y H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.954 110.8 48.7 -63.2 -48.9 -41.7 6.8 15.1 67 72 A R H X S+ 0 0 13 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.910 110.5 51.7 -55.2 -46.1 -39.0 7.3 17.7 68 73 A E H X S+ 0 0 20 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.924 109.8 49.0 -61.0 -46.9 -36.9 9.3 15.3 69 74 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.980 115.3 43.1 -52.0 -61.8 -39.8 11.6 14.5 70 75 A V H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.888 118.1 44.7 -55.5 -45.6 -40.7 12.2 18.1 71 76 A L H X S+ 0 0 1 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.865 113.1 48.9 -71.0 -37.6 -37.0 12.7 19.2 72 77 A M H < S+ 0 0 9 -4,-2.8 11,-0.8 -5,-0.3 -1,-0.2 0.861 111.8 52.6 -71.0 -33.0 -36.0 14.9 16.3 73 78 A K H < S+ 0 0 119 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.971 116.9 34.5 -62.4 -55.0 -39.1 17.0 17.0 74 79 A C H < S+ 0 0 26 -4,-2.1 244,-0.5 -5,-0.2 2,-0.3 0.697 101.8 84.7 -83.0 -21.2 -38.5 17.6 20.7 75 80 A V < + 0 0 8 -4,-2.0 8,-0.3 -5,-0.2 2,-0.2 -0.644 50.5 176.4 -81.1 138.1 -34.7 17.8 20.6 76 81 A N + 0 0 152 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.678 23.0 129.7-144.6 88.3 -33.2 21.2 19.8 77 82 A H > - 0 0 18 3,-0.4 3,-2.2 -2,-0.2 234,-0.1 -0.998 58.2-125.3-143.6 140.2 -29.4 21.4 19.9 78 83 A K T 3 S+ 0 0 107 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.715 110.4 51.4 -60.7 -24.6 -26.9 22.7 17.4 79 84 A N T 3 S+ 0 0 2 232,-0.1 83,-2.3 82,-0.1 2,-0.4 0.369 100.6 72.0 -98.0 5.3 -24.9 19.4 17.3 80 85 A I B < S-f 162 0C 3 -3,-2.2 -3,-0.4 81,-0.3 83,-0.2 -0.982 97.3-104.7-117.8 133.5 -28.0 17.3 16.7 81 86 A I - 0 0 5 81,-2.3 2,-0.3 -2,-0.4 -6,-0.1 -0.285 41.4-137.1 -58.9 132.0 -29.6 17.4 13.3 82 87 A G - 0 0 12 -4,-0.1 22,-1.1 -6,-0.1 2,-0.4 -0.715 4.8-123.2-101.0 145.6 -32.8 19.4 13.5 83 88 A L E +E 103 0B 39 -11,-0.8 20,-0.2 -8,-0.3 3,-0.1 -0.679 28.1 172.5 -80.9 128.7 -36.2 18.8 12.0 84 89 A L E - 0 0 44 18,-3.8 2,-0.3 1,-0.4 19,-0.2 0.749 65.7 -16.9-102.7 -36.6 -37.4 21.6 9.8 85 90 A N E -E 102 0B 4 17,-1.6 17,-3.5 261,-0.1 -1,-0.4 -0.982 50.1-162.6-162.3 158.9 -40.5 19.9 8.3 86 91 A V E +E 101 0B 0 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.957 23.4 154.3-151.2 137.3 -42.3 16.6 7.9 87 92 A F E -E 100 0B 0 13,-1.8 13,-2.7 -2,-0.3 256,-0.1 -0.955 30.2-139.3-153.1 166.6 -45.1 15.7 5.5 88 93 A T - 0 0 0 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.995 8.5-151.3-135.8 137.8 -46.8 13.0 3.4 89 94 A P S S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -85,-0.1 0.774 74.7 92.5 -71.3 -33.1 -48.2 13.4 -0.1 90 95 A Q S S- 0 0 36 8,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.406 72.1-144.0 -67.4 147.0 -51.0 10.7 0.5 91 96 A K + 0 0 108 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.204 68.1 26.3-106.6 13.7 -54.2 12.4 1.6 92 97 A S S > S- 0 0 33 1,-0.1 4,-2.0 0, 0.0 3,-0.2 -0.971 82.4-100.1-168.9 156.2 -55.7 10.0 4.1 93 98 A L T 4 S+ 0 0 48 -2,-0.3 -1,-0.1 1,-0.2 246,-0.1 0.864 120.0 51.5 -50.7 -40.2 -54.7 7.2 6.6 94 99 A E T 4 S+ 0 0 153 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.915 115.3 38.6 -68.2 -43.0 -55.7 4.5 4.1 95 100 A E T 4 S+ 0 0 88 -3,-0.2 -1,-0.2 2,-0.0 -2,-0.2 0.689 87.7 130.5 -78.5 -18.4 -53.7 5.9 1.1 96 101 A F < + 0 0 0 -4,-2.0 3,-0.1 1,-0.2 -3,-0.1 -0.059 17.0 142.3 -45.9 123.7 -50.9 6.8 3.5 97 102 A Q + 0 0 73 1,-0.3 -43,-1.4 -43,-0.0 2,-0.3 0.645 49.6 35.3-128.8 -52.8 -47.6 5.4 2.1 98 103 A D E -D 53 0B 20 -45,-0.2 2,-0.4 -44,-0.2 -1,-0.3 -0.831 49.5-152.4-127.2 151.6 -44.6 7.6 2.7 99 104 A V E -D 52 0B 0 -47,-2.2 -47,-3.3 -2,-0.3 2,-0.5 -0.987 10.6-159.2-122.6 129.4 -43.0 10.1 5.1 100 105 A Y E -DE 51 87B 3 -13,-2.7 -13,-1.8 -2,-0.4 2,-0.5 -0.925 5.0-159.9-107.2 127.3 -40.7 12.9 4.1 101 106 A I E -DE 50 86B 6 -51,-2.6 -51,-2.7 -2,-0.5 2,-0.6 -0.931 4.0-155.8-108.2 124.4 -38.4 14.4 6.7 102 107 A V E +DE 49 85B 0 -17,-3.5 -18,-3.8 -2,-0.5 -17,-1.6 -0.878 21.9 172.4-103.6 122.2 -37.0 17.8 6.0 103 108 A M E -DE 48 83B 15 -55,-3.0 -55,-2.6 -2,-0.6 -20,-0.2 -0.699 41.4 -83.0-120.8 169.3 -33.7 18.7 7.8 104 109 A E E -D 47 0B 43 -22,-1.1 2,-0.5 -2,-0.2 -57,-0.2 -0.454 56.2-115.0 -63.5 148.3 -31.0 21.3 7.9 105 110 A L - 0 0 33 -59,-0.6 2,-0.2 -2,-0.1 -59,-0.1 -0.809 32.7-173.7 -97.9 129.3 -28.6 20.7 5.1 106 111 A M - 0 0 19 -2,-0.5 49,-0.2 49,-0.1 3,-0.1 -0.729 26.0-128.3-113.4 168.6 -24.9 19.7 5.7 107 112 A D S S- 0 0 64 47,-1.5 2,-0.3 -2,-0.2 48,-0.2 0.756 74.2 -15.4 -92.2 -26.6 -22.1 19.3 3.2 108 113 A A E -G 154 0C 14 46,-1.7 46,-2.7 -80,-0.0 2,-0.2 -0.978 59.8-106.7-163.7 168.5 -20.7 15.9 4.0 109 114 A N E >> -G 153 0C 59 -2,-0.3 4,-1.0 44,-0.3 3,-0.6 -0.533 45.2 -96.8-100.0 179.0 -20.4 12.9 6.4 110 115 A L H 3> S+ 0 0 0 39,-2.1 4,-1.5 42,-1.7 40,-0.2 0.743 113.8 73.4 -72.3 -20.8 -17.4 12.0 8.6 111 116 A C H 3> S+ 0 0 59 38,-0.4 4,-1.3 1,-0.2 3,-0.5 0.941 100.3 45.5 -53.7 -48.8 -16.1 9.4 6.1 112 117 A Q H <4 S+ 0 0 89 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.874 107.3 58.0 -62.2 -39.7 -15.0 12.2 3.8 113 118 A V H >< S+ 0 0 0 -4,-1.0 3,-0.7 1,-0.2 -1,-0.2 0.799 104.4 53.1 -62.2 -28.7 -13.5 14.2 6.7 114 119 A I H 3< S+ 0 0 8 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.870 101.6 56.4 -75.4 -38.6 -11.2 11.2 7.5 115 120 A Q T 3< S+ 0 0 153 -4,-1.3 2,-0.3 -5,-0.2 -1,-0.2 0.031 103.9 89.0 -78.1 31.0 -9.8 10.9 4.0 116 121 A M S < S- 0 0 37 -3,-0.7 2,-0.2 -2,-0.2 87,-0.1 -0.933 86.1 -96.6-141.4 149.7 -8.8 14.5 4.4 117 122 A E + 0 0 166 -2,-0.3 2,-0.2 1,-0.0 -2,-0.1 -0.447 51.3 171.4 -67.9 130.6 -5.9 16.7 5.7 118 123 A L - 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0 0 41 1,-0.1 3,-2.4 2,-0.1 4,-1.7 -0.185 37.4-106.9 -66.6 158.3 -7.9 -7.9 33.2 228 246 A P H 3> S+ 0 0 96 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.709 119.3 67.7 -56.0 -21.0 -9.2 -10.9 35.2 229 247 A E H 34 S+ 0 0 121 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.561 107.1 38.0 -78.3 -9.1 -11.7 -8.3 36.7 230 248 A F H X4 S+ 0 0 2 -3,-2.4 3,-2.2 2,-0.1 4,-0.3 0.780 104.4 62.5-105.4 -44.7 -13.4 -8.0 33.4 231 249 A M H 3< S+ 0 0 19 -4,-1.7 3,-0.4 1,-0.3 12,-0.1 0.714 105.4 51.0 -60.9 -21.2 -13.4 -11.6 32.0 232 250 A K T 3< S+ 0 0 147 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.1 -0.097 93.4 73.5-104.7 33.5 -15.5 -12.7 34.9 233 251 A K S < S+ 0 0 110 -3,-2.2 2,-0.4 2,-0.1 -2,-0.2 0.322 79.3 94.2-114.2 -3.3 -18.0 -9.9 34.4 234 252 A L S S- 0 0 1 -3,-0.4 5,-0.1 -4,-0.3 -53,-0.1 -0.731 91.2-100.6 -89.3 136.4 -19.3 -11.8 31.3 235 253 A Q >> - 0 0 145 -2,-0.4 4,-2.7 -54,-0.2 3,-1.1 -0.260 47.0 -94.8 -54.4 143.3 -22.3 -14.1 31.8 236 254 A P T 34 S+ 0 0 80 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.712 124.7 50.2 -29.6 -49.9 -21.2 -17.8 32.0 237 255 A T T >4 S+ 0 0 112 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.941 118.8 35.1 -60.5 -51.8 -21.8 -18.4 28.3 238 256 A V T X> S+ 0 0 25 -3,-1.1 4,-1.3 1,-0.2 3,-1.1 0.828 107.7 64.7 -76.6 -32.7 -19.8 -15.4 27.1 239 257 A R H 3X S+ 0 0 76 -4,-2.7 4,-0.7 1,-0.3 -1,-0.2 0.601 94.7 67.4 -65.0 -7.3 -17.2 -15.5 29.8 240 258 A T H <4 S+ 0 0 73 -3,-0.7 -1,-0.3 -5,-0.4 -2,-0.2 0.853 99.1 46.6 -78.2 -38.1 -16.3 -18.9 28.2 241 259 A Y H X4 S+ 0 0 120 -3,-1.1 3,-2.0 -4,-0.5 4,-0.4 0.937 106.4 54.6 -69.8 -50.7 -15.0 -17.3 24.9 242 260 A V H 3< S+ 0 0 5 -4,-1.3 3,-0.5 1,-0.3 -1,-0.2 0.801 112.1 45.4 -59.2 -31.1 -12.8 -14.5 26.4 243 261 A E T 3< S+ 0 0 79 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.1 -0.120 108.8 61.9 -99.8 34.4 -10.9 -17.1 28.5 244 262 A N S < S+ 0 0 125 -3,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.332 88.5 72.8-140.5 -0.6 -10.7 -19.4 25.4 245 263 A R S S- 0 0 63 -3,-0.5 -1,-0.1 -4,-0.4 0, 0.0 -0.909 95.2 -74.8-121.8 152.4 -8.7 -17.4 22.9 246 264 A P - 0 0 80 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.008 48.5-124.6 -45.1 143.0 -5.0 -16.6 22.8 247 265 A K - 0 0 125 -4,-0.1 2,-0.2 -22,-0.1 -26,-0.0 -0.845 28.8-171.5-102.5 120.6 -3.9 -13.9 25.2 248 266 A Y - 0 0 81 -2,-0.6 -23,-1.8 1,-0.1 -26,-0.1 -0.609 27.7-144.4-104.9 164.3 -2.1 -10.8 23.9 249 267 A A - 0 0 97 -25,-0.2 -1,-0.1 -2,-0.2 -28,-0.1 0.619 39.4-158.3 -97.3 -19.2 -0.3 -7.9 25.6 250 268 A G - 0 0 17 -29,-0.2 2,-0.3 -26,-0.1 -27,-0.3 -0.303 24.3 -67.6 72.2-159.4 -1.4 -5.4 23.0 251 269 A Y - 0 0 120 -29,-2.8 2,-0.0 -27,-0.0 -29,-0.0 -0.922 37.6-109.6-129.2 154.6 0.4 -2.1 22.4 252 270 A S >> - 0 0 38 -2,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.319 39.4-109.2 -66.7 163.8 1.0 1.1 24.3 253 271 A F H 3> S+ 0 0 34 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.508 121.7 66.2 -76.2 -1.2 -0.8 4.1 22.9 254 272 A E H 34 S+ 0 0 116 2,-0.2 -1,-0.2 1,-0.1 5,-0.2 0.832 106.6 38.1 -78.6 -38.3 2.7 5.1 22.0 255 273 A K H <4 S+ 0 0 126 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.1 0.759 118.2 49.2 -83.1 -27.7 2.9 2.2 19.5 256 274 A L H < S+ 0 0 9 -4,-1.7 -3,-0.2 1,-0.3 -2,-0.2 0.821 129.2 21.9 -79.8 -33.5 -0.7 2.5 18.4 257 275 A F S < S- 0 0 4 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.624 88.1-165.8-135.7 74.5 -0.4 6.2 17.8 258 276 A P > - 0 0 46 0, 0.0 3,-2.9 0, 0.0 4,-0.3 -0.256 33.9-108.5 -66.3 146.6 3.4 7.0 17.3 259 277 A D G > S+ 0 0 71 1,-0.3 3,-2.3 2,-0.2 -4,-0.0 0.787 114.2 69.7 -40.6 -40.3 4.7 10.6 17.4 260 278 A V G 3 S+ 0 0 131 1,-0.3 -1,-0.3 3,-0.0 4,-0.1 0.692 85.8 68.4 -58.8 -19.6 5.3 10.5 13.7 261 279 A L G < S+ 0 0 69 -3,-2.9 -1,-0.3 2,-0.1 -2,-0.2 0.628 99.1 57.7 -77.4 -12.7 1.6 10.5 13.1 262 280 A F S < S- 0 0 15 -3,-2.3 2,-0.4 -4,-0.3 7,-0.0 -0.839 97.4 -97.5-115.5 154.2 1.4 14.1 14.4 263 281 A P - 0 0 63 0, 0.0 10,-0.2 0, 0.0 -2,-0.1 -0.579 37.2-174.6 -65.1 124.5 3.0 17.4 13.4 264 282 A A + 0 0 60 -2,-0.4 6,-0.1 -4,-0.1 3,-0.0 -0.269 49.0 99.1-121.2 45.2 6.0 17.8 15.7 265 283 A D + 0 0 119 4,-0.0 5,-0.1 1,-0.0 -1,-0.0 0.846 69.5 51.7 -88.6 -88.8 7.3 21.2 14.8 266 284 A S S >> S- 0 0 51 1,-0.1 3,-1.7 2,-0.1 4,-0.7 -0.109 86.9-119.5 -47.9 145.8 6.1 23.9 17.2 267 285 A E H >> S+ 0 0 162 1,-0.3 4,-0.9 2,-0.2 3,-0.7 0.857 116.9 53.9 -57.0 -34.4 6.8 23.1 20.8 268 286 A H H 3> S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.532 96.8 66.3 -80.6 -7.0 3.0 23.3 21.3 269 287 A N H <> S+ 0 0 28 -3,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.664 101.7 46.0 -89.1 -18.6 2.4 20.8 18.5 270 288 A K H X S+ 0 0 60 -4,-2.3 4,-1.4 1,-0.2 3,-0.5 0.948 106.3 48.1 -60.8 -52.5 -3.8 10.8 26.2 279 297 A L H 3X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.2 3,-0.4 0.890 108.0 56.5 -56.3 -42.7 -7.5 11.3 25.5 280 298 A L H 3X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 -1,-0.2 0.850 106.5 49.7 -57.0 -37.9 -7.5 8.3 23.1 281 299 A S H << S+ 0 0 33 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.749 110.1 50.4 -77.0 -24.4 -6.1 6.1 25.9 282 300 A K H < S+ 0 0 79 -4,-1.4 10,-2.4 -3,-0.4 3,-0.3 0.715 119.0 39.6 -78.3 -23.1 -8.8 7.4 28.3 283 301 A M H < S+ 0 0 2 -4,-1.5 2,-1.4 -5,-0.2 -2,-0.2 0.888 107.2 56.9 -94.6 -47.8 -11.4 6.6 25.6 284 302 A L S < S+ 0 0 4 -4,-3.2 2,-0.7 -5,-0.2 -1,-0.2 -0.268 71.8 137.0 -84.3 50.7 -10.3 3.3 24.1 285 303 A V - 0 0 32 -2,-1.4 6,-0.2 -3,-0.3 5,-0.0 -0.892 46.6-153.1 -95.1 111.7 -10.4 1.5 27.5 286 304 A I S S+ 0 0 14 -2,-0.7 2,-0.9 1,-0.1 -109,-0.3 0.919 82.0 73.9 -49.6 -51.3 -12.0 -1.9 27.0 287 305 A D S >> S- 0 0 12 1,-0.2 3,-1.5 -3,-0.1 4,-0.7 -0.549 78.4-150.4 -71.0 106.1 -13.2 -2.0 30.6 288 306 A A T 34 S+ 0 0 15 -2,-0.9 -1,-0.2 1,-0.3 -101,-0.1 0.400 90.9 61.4 -64.5 5.5 -16.1 0.4 30.6 289 307 A S T 34 S+ 0 0 57 1,-0.1 -1,-0.3 -102,-0.0 -2,-0.1 0.780 104.1 44.7 -96.7 -35.3 -15.5 1.3 34.2 290 308 A K T <4 S+ 0 0 136 -3,-1.5 2,-0.3 -5,-0.0 -2,-0.2 0.541 94.8 111.2 -81.2 -6.6 -11.9 2.6 33.8 291 309 A R S < S- 0 0 8 -4,-0.7 -8,-0.2 -6,-0.2 -104,-0.1 -0.508 74.5-110.1 -82.7 134.3 -13.1 4.6 30.7 292 310 A I - 0 0 14 -10,-2.4 2,-0.2 -2,-0.3 -102,-0.1 -0.066 34.8-129.3 -50.8 153.6 -13.3 8.4 30.7 293 311 A S > - 0 0 38 1,-0.1 4,-2.7 -103,-0.0 5,-0.2 -0.548 20.6-104.5-103.9 173.0 -16.8 9.9 30.7 294 312 A V H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.952 121.7 47.8 -60.5 -51.7 -18.5 12.6 28.5 295 313 A D H > S+ 0 0 91 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.869 113.5 50.3 -58.4 -35.3 -18.2 15.3 31.2 296 314 A E H >> S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 3,-1.0 0.943 107.8 50.9 -68.5 -49.2 -14.6 14.3 31.7 297 315 A A H >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.3 6,-0.4 0.931 104.9 56.9 -53.8 -50.5 -13.6 14.5 28.1 298 316 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.793 109.8 47.5 -50.5 -30.2 -15.1 17.9 27.7 299 317 A Q H << S+ 0 0 112 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.788 84.9 110.8 -84.4 -30.8 -12.8 19.0 30.5 300 318 A H S XX S- 0 0 13 -4,-1.7 4,-2.9 -3,-0.6 3,-1.3 -0.137 79.2-120.3 -45.6 138.0 -9.7 17.3 29.0 301 319 A P H 3> S+ 0 0 65 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.809 110.4 59.4 -58.4 -36.0 -7.2 20.0 27.8 302 320 A Y H 34 S+ 0 0 0 -27,-0.2 -26,-0.1 1,-0.2 -2,-0.1 0.846 120.3 27.0 -60.3 -33.5 -7.3 18.9 24.2 303 321 A I H X4 S+ 0 0 0 -3,-1.3 3,-1.7 -6,-0.4 -1,-0.2 0.841 104.7 72.3 -97.8 -40.4 -11.0 19.5 24.1 304 322 A N H >< S+ 0 0 66 -4,-2.9 3,-1.7 1,-0.3 -2,-0.1 0.543 72.0 86.6 -68.7 -9.7 -11.9 22.2 26.6 305 323 A V T 3< S+ 0 0 64 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.830 96.0 44.6 -53.1 -32.4 -10.3 25.1 24.6 306 324 A W T < S+ 0 0 9 -3,-1.7 -1,-0.3 -8,-0.1 -2,-0.2 0.401 84.1 142.2 -94.8 0.8 -13.7 25.3 22.8 307 325 A Y < + 0 0 39 -3,-1.7 3,-0.1 -9,-0.2 -3,-0.0 -0.116 17.7 167.5 -53.1 133.8 -15.9 25.0 25.9 308 326 A D >> - 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