==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 14-DEC-11 3V3V . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BAEK,N.J.KANG,G.M.POPOWICZ,M.ARCINIEGA,S.K.JUNG,S.BYUN,N.R . 361 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 60.4 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 . 46 12.7 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 . 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 . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 26.6 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 5 1 1 1 0 0 1 1 1 0 0 2 0 0 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 . 2 1 1 1 2 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 7 A D > 0 0 123 0, 0.0 3,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.6 38.9 66.8 -10.8 2 8 A N T 3 + 0 0 136 1,-0.2 16,-0.0 16,-0.0 0, 0.0 0.351 360.0 71.9 -60.1 4.9 42.6 65.8 -10.2 3 9 A N T 3 S+ 0 0 99 85,-0.1 15,-2.9 14,-0.1 16,-0.3 0.635 97.2 43.5 -97.9 -16.3 41.6 64.2 -6.8 4 10 A F E < -A 17 0A 41 -3,-1.7 2,-0.3 13,-0.3 13,-0.2 -0.520 57.0-173.9-118.0 179.0 39.7 61.1 -8.1 5 11 A Y E -A 16 0A 67 11,-1.7 11,-2.5 -2,-0.2 2,-0.4 -0.947 20.8-114.2-162.2-178.8 40.0 58.4 -10.8 6 12 A S E -A 15 0A 70 9,-0.3 2,-0.3 -2,-0.3 9,-0.3 -0.970 18.8-173.3-132.7 136.4 38.1 55.5 -12.2 7 13 A V E -A 14 0A 38 7,-2.2 7,-3.2 -2,-0.4 2,-1.0 -0.956 24.2-129.0-127.5 151.5 38.4 51.7 -12.3 8 14 A E E +A 13 0A 128 -2,-0.3 2,-0.9 5,-0.2 5,-0.2 -0.741 27.3 174.7-103.6 85.4 36.5 49.1 -14.1 9 15 A I - 0 0 27 -2,-1.0 3,-0.2 3,-1.0 2,-0.1 -0.810 68.4 -53.8 -93.7 106.8 35.4 46.4 -11.7 10 16 A G S S- 0 0 70 -2,-0.9 0, 0.0 1,-0.2 0, 0.0 -0.429 112.4 -34.2 61.5-136.5 33.2 44.1 -13.8 11 17 A D S S+ 0 0 167 -2,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.931 125.3 88.3 -74.9 -48.8 30.5 46.3 -15.4 12 18 A S S S- 0 0 38 -3,-0.2 -3,-1.0 -4,-0.1 2,-0.5 -0.104 71.2-143.3 -49.3 140.0 30.3 48.6 -12.3 13 19 A T E -A 8 0A 42 -5,-0.2 2,-0.8 2,-0.0 -5,-0.2 -0.924 2.3-149.5-113.4 133.5 32.7 51.5 -12.4 14 20 A F E -A 7 0A 0 -7,-3.2 -7,-2.2 -2,-0.5 2,-0.9 -0.878 11.9-175.9-106.1 105.1 34.5 52.9 -9.3 15 21 A T E +A 6 0A 32 -2,-0.8 2,-0.3 -9,-0.3 -9,-0.3 -0.862 32.3 156.0 -96.7 100.4 35.2 56.6 -9.6 16 22 A V E -A 5 0A 0 -11,-2.5 -11,-1.7 -2,-0.9 -2,-0.0 -0.874 47.6 -74.4-138.0 159.8 37.1 57.2 -6.4 17 23 A L E > -A 4 0A 41 -2,-0.3 3,-2.0 -13,-0.2 -13,-0.3 -0.157 42.6-123.9 -46.1 135.9 39.6 59.3 -4.4 18 24 A K T 3 S+ 0 0 87 -15,-2.9 -1,-0.1 1,-0.3 -14,-0.1 0.728 107.1 74.8 -62.2 -24.8 43.2 58.7 -5.6 19 25 A R T 3 S+ 0 0 64 -16,-0.3 21,-1.8 1,-0.1 2,-0.6 0.810 88.7 71.4 -49.0 -34.7 44.0 57.8 -2.0 20 26 A Y E < +B 39 0B 3 -3,-2.0 2,-0.2 19,-0.2 19,-0.2 -0.792 64.9 147.2-102.5 117.5 42.2 54.5 -2.6 21 27 A Q E +B 38 0B 74 17,-2.7 17,-3.7 -2,-0.6 3,-0.1 -0.772 40.4 51.2-140.2-175.9 43.8 51.8 -4.8 22 28 A N E S- 0 0 122 -2,-0.2 -1,-0.2 15,-0.2 2,-0.1 0.893 74.1-173.5 48.5 47.6 44.2 48.1 -5.6 23 29 A L E - 0 0 23 -3,-0.2 14,-0.3 14,-0.2 -1,-0.2 -0.385 10.0-176.6 -72.8 146.1 40.5 47.8 -5.4 24 30 A K E -B 36 0B 97 12,-3.2 12,-2.7 -3,-0.1 2,-0.2 -0.994 29.3-107.9-140.7 145.6 38.9 44.3 -5.5 25 31 A P E +B 35 0B 96 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.499 42.9 155.7 -67.4 137.3 35.3 43.1 -5.6 26 32 A I E - 0 0 104 8,-2.1 2,-0.2 1,-0.3 9,-0.2 0.562 56.3 -48.7-120.7 -56.3 34.1 41.4 -2.4 27 33 A G E -B 34 0B 41 7,-0.9 7,-2.2 1,-0.1 -1,-0.3 -0.566 22.8-153.0-151.3-144.3 30.3 41.8 -2.2 28 34 A S >> - 0 0 48 5,-0.3 2,-1.4 -2,-0.2 4,-0.8 0.108 21.6-152.5-177.1 -42.6 27.2 43.9 -2.3 29 35 A G T 34 - 0 0 57 1,-0.2 121,-0.1 2,-0.1 4,-0.0 -0.731 61.8 -77.2 77.7 -90.1 24.5 42.3 -0.1 30 36 A A T 34 S+ 0 0 66 -2,-1.4 -1,-0.2 -3,-0.0 3,-0.0 0.133 125.1 73.9-168.6 -8.7 21.7 43.8 -2.2 31 37 A Q T <4 S- 0 0 13 -3,-0.7 2,-0.2 32,-0.0 -2,-0.1 0.447 112.8 -24.2 -99.3 -4.3 21.7 47.4 -0.9 32 38 A G S < S- 0 0 15 -4,-0.8 2,-0.3 19,-0.1 19,-0.2 -0.860 73.3 -90.7-171.9-152.2 24.9 48.7 -2.7 33 39 A I E - C 0 50B 50 17,-1.0 17,-2.7 -2,-0.2 2,-0.4 -0.988 34.6-152.5-146.6 137.4 28.1 47.3 -4.1 34 40 A V E -BC 27 49B 27 -7,-2.2 -8,-2.1 -2,-0.3 -7,-0.9 -0.935 13.8-178.8-124.8 132.2 31.4 46.8 -2.2 35 41 A C E -BC 25 48B 1 13,-2.1 13,-3.3 -2,-0.4 2,-0.4 -0.956 22.5-137.8-114.8 144.5 35.1 46.7 -3.1 36 42 A A E +BC 24 47B 14 -12,-2.7 -12,-3.2 -2,-0.4 2,-0.3 -0.810 37.6 166.0 -89.9 143.9 37.9 46.1 -0.7 37 43 A A E - C 0 46B 5 9,-2.0 9,-2.6 -2,-0.4 2,-0.6 -0.941 38.2 -98.7-151.4 172.5 40.8 48.5 -1.4 38 44 A Y E -BC 21 45B 81 -17,-3.7 -17,-2.7 -2,-0.3 2,-0.4 -0.881 23.5-149.2-103.0 114.8 44.0 49.8 -0.0 39 45 A D E > -BC 20 44B 0 5,-2.5 5,-0.9 -2,-0.6 -19,-0.2 -0.711 11.2-166.5 -74.3 130.2 44.0 53.3 1.6 40 46 A A T 5S+ 0 0 36 -21,-1.8 -1,-0.1 -2,-0.4 -20,-0.1 0.752 80.8 53.5 -98.3 -28.8 47.4 54.6 0.9 41 47 A I T 5S+ 0 0 113 -22,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.988 123.5 29.2 -62.1 -58.1 47.4 57.6 3.3 42 48 A L T 5S- 0 0 93 2,-0.1 -2,-0.2 -23,-0.0 -1,-0.2 0.495 101.4-137.3 -85.3 -7.8 46.5 55.3 6.2 43 49 A E T 5 + 0 0 147 1,-0.2 2,-0.3 -4,-0.1 -3,-0.2 0.879 62.5 110.7 52.9 45.2 48.2 52.3 4.6 44 50 A R E S+ 0 0 112 1,-0.1 3,-2.1 -2,-0.1 4,-0.3 0.760 75.2 179.2 28.5 55.4 22.1 57.2 -8.4 54 60 A P G > S+ 0 0 3 0, 0.0 3,-0.7 0, 0.0 10,-0.2 0.848 76.0 55.3 -55.3 -33.9 20.6 56.6 -4.9 55 61 A F G 3 S+ 0 0 13 41,-0.3 6,-0.2 1,-0.2 288,-0.1 0.688 79.9 95.2 -69.6 -19.5 18.0 59.3 -5.5 56 62 A Q G < S+ 0 0 76 -3,-2.1 2,-0.3 4,-0.1 -1,-0.2 0.770 93.4 24.0 -41.8 -45.3 16.7 57.6 -8.7 57 63 A N S < S- 0 0 94 -3,-0.7 4,-0.3 -4,-0.3 5,-0.1 -0.771 79.4-121.6-119.5 166.7 13.8 55.8 -6.9 58 64 A Q S > S+ 0 0 99 -2,-0.3 4,-1.3 2,-0.2 3,-0.4 0.868 114.8 40.0 -81.4 -35.8 12.1 56.6 -3.6 59 65 A T H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.923 109.2 62.7 -75.8 -42.3 13.0 53.3 -1.9 60 66 A H H 4 S+ 0 0 74 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.604 110.6 39.2 -52.9 -15.7 16.5 53.4 -3.4 61 67 A A H > S+ 0 0 0 -3,-0.4 4,-2.5 -4,-0.3 5,-0.2 0.679 103.7 65.9-109.1 -29.0 17.1 56.6 -1.5 62 68 A K H X S+ 0 0 73 -4,-1.3 4,-2.2 -3,-0.2 -2,-0.2 0.920 106.2 46.0 -53.9 -45.6 15.4 55.7 1.7 63 69 A R H X S+ 0 0 49 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.905 110.1 52.3 -66.3 -43.3 18.1 53.0 2.2 64 70 A A H > S+ 0 0 2 -4,-0.4 4,-3.5 -5,-0.2 -2,-0.2 0.933 112.6 44.9 -62.9 -46.4 21.0 55.3 1.3 65 71 A Y H X S+ 0 0 33 -4,-2.5 4,-3.5 2,-0.2 5,-0.4 0.991 112.0 51.3 -54.1 -63.6 20.0 58.0 3.8 66 72 A R H X S+ 0 0 39 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.891 115.6 43.4 -40.6 -56.1 19.3 55.4 6.5 67 73 A E H X S+ 0 0 6 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.963 115.6 47.2 -54.7 -62.4 22.7 54.0 5.9 68 74 A L H X S+ 0 0 1 -4,-3.5 4,-1.3 1,-0.2 -1,-0.2 0.848 115.9 43.6 -50.7 -47.9 24.5 57.3 5.7 69 75 A V H X S+ 0 0 10 -4,-3.5 4,-0.8 1,-0.2 3,-0.3 0.935 115.6 46.7 -68.3 -46.4 22.9 58.8 8.7 70 76 A L H >X S+ 0 0 16 -4,-2.8 4,-1.6 -5,-0.4 3,-0.9 0.900 110.0 54.4 -62.4 -38.9 23.3 55.7 10.9 71 77 A M H 3< S+ 0 0 4 -4,-3.1 11,-0.3 -5,-0.3 -1,-0.2 0.821 101.8 60.5 -68.3 -28.5 26.9 55.3 9.8 72 78 A K H 3< S+ 0 0 71 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.793 119.4 19.4 -64.2 -28.8 27.7 58.8 10.9 73 79 A C H << S+ 0 0 29 -3,-0.9 253,-0.7 -4,-0.8 2,-0.2 0.390 85.9 114.5-137.7 -4.7 26.8 58.5 14.5 74 80 A V < - 0 0 23 -4,-1.6 8,-0.2 251,-0.2 2,-0.1 -0.513 40.5-174.4 -66.3 142.4 26.8 54.9 15.5 75 81 A N + 0 0 133 -2,-0.2 2,-0.3 248,-0.1 6,-0.1 -0.511 29.4 119.7-145.6 71.3 29.6 54.2 18.0 76 82 A H > - 0 0 23 3,-0.2 3,-1.0 4,-0.1 243,-0.1 -0.985 58.1-135.5-136.4 150.0 30.0 50.5 19.0 77 83 A K T 3 S+ 0 0 126 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.731 106.6 57.3 -72.9 -20.6 32.9 48.1 18.7 78 84 A N T 3 S+ 0 0 2 241,-0.1 83,-1.4 50,-0.1 2,-0.3 -0.053 98.0 74.0-100.4 28.2 30.5 45.3 17.4 79 85 A I B < S-f 161 0C 2 -3,-1.0 -3,-0.2 81,-0.3 83,-0.2 -0.988 98.7 -95.7-139.8 136.3 29.3 47.5 14.5 80 86 A I - 0 0 6 81,-2.1 2,-0.4 -2,-0.3 -4,-0.1 -0.235 45.1-123.4 -56.7 134.3 31.4 48.2 11.4 81 87 A G - 0 0 21 -4,-0.1 22,-1.9 -6,-0.1 2,-0.1 -0.673 15.7-126.2 -87.1 134.8 33.2 51.5 11.8 82 88 A L E +E 102 0B 55 -2,-0.4 20,-0.3 -11,-0.3 3,-0.1 -0.475 28.4 172.3 -70.9 145.8 32.9 54.3 9.4 83 89 A L E - 0 0 63 18,-3.5 2,-0.3 1,-0.4 19,-0.2 0.589 59.5 -17.8-121.6 -30.2 36.0 55.8 7.8 84 90 A N E -E 101 0B 47 17,-2.0 17,-3.5 2,-0.0 -1,-0.4 -0.949 41.4-152.8-175.7 147.2 34.9 58.2 5.2 85 91 A V E +E 100 0B 26 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.990 30.5 158.1-127.6 142.1 32.1 59.3 2.9 86 92 A F E -E 99 0B 13 13,-2.5 13,-2.7 -2,-0.4 265,-0.1 -0.985 29.6-146.2-154.8 168.4 32.7 61.0 -0.4 87 93 A T - 0 0 14 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.998 12.1-148.3-139.7 135.5 31.4 61.9 -3.8 88 94 A P S S+ 0 0 19 0, 0.0 2,-0.2 0, 0.0 -85,-0.1 0.663 73.1 92.2 -76.6 -16.3 33.3 62.2 -7.1 89 95 A Q S S- 0 0 41 8,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.595 73.8-133.7 -88.6 144.6 31.1 65.0 -8.6 90 96 A K S S- 0 0 83 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.776 75.8 -3.0 -74.4 -37.9 31.9 68.7 -8.1 91 97 A S S >> S- 0 0 58 1,-0.0 3,-1.1 0, 0.0 4,-0.5 -0.985 81.9 -87.4-150.8 162.9 28.6 70.2 -7.0 92 98 A L G >4 S+ 0 0 63 -2,-0.3 3,-1.1 1,-0.2 255,-0.0 0.727 114.9 73.0 -34.1 -39.9 24.9 69.3 -6.5 93 99 A E G 34 S+ 0 0 150 1,-0.2 -1,-0.2 -4,-0.0 -4,-0.0 0.932 111.2 22.7 -38.2 -68.4 24.3 70.0 -10.2 94 100 A E G <4 S+ 0 0 89 -3,-1.1 -1,-0.2 2,-0.0 -2,-0.2 0.225 90.6 147.2 -91.8 11.4 26.1 66.9 -11.6 95 101 A F << + 0 0 1 -3,-1.1 3,-0.1 -4,-0.5 -3,-0.0 -0.287 6.1 146.1 -64.1 127.1 25.8 64.8 -8.4 96 102 A Q + 0 0 60 1,-0.3 -41,-0.3 -2,-0.1 2,-0.3 0.705 48.7 20.7-124.7 -66.6 25.4 61.1 -9.0 97 103 A D - 0 0 19 -44,-0.2 2,-0.4 -45,-0.1 -8,-0.3 -0.786 50.3-145.2-126.6 160.7 26.9 58.6 -6.5 98 104 A V E -D 51 0B 0 -47,-1.1 -47,-2.3 -2,-0.3 2,-0.4 -0.919 9.0-157.3-121.1 144.4 28.1 58.3 -3.0 99 105 A Y E -DE 50 86B 0 -13,-2.7 -13,-2.5 -2,-0.4 2,-0.5 -0.989 3.7-164.0-125.0 133.2 31.0 56.2 -1.6 100 106 A I E -DE 49 85B 0 -51,-2.0 -51,-3.3 -2,-0.4 2,-0.4 -0.960 4.6-158.4-115.4 132.3 31.3 55.1 2.0 101 107 A V E +DE 48 84B 0 -17,-3.5 -18,-3.5 -2,-0.5 -17,-2.0 -0.911 23.0 156.1-109.7 135.4 34.5 53.8 3.3 102 108 A M E -DE 47 82B 18 -55,-2.2 -55,-3.1 -2,-0.4 -20,-0.2 -0.925 45.6 -58.2-153.5 169.7 34.6 51.6 6.4 103 109 A E E -D 46 0B 47 -22,-1.9 2,-0.7 -2,-0.3 -57,-0.2 -0.053 46.0-126.1 -54.8 149.5 36.7 49.0 8.1 104 110 A L - 0 0 46 -59,-0.6 -59,-0.1 -58,-0.1 -1,-0.1 -0.888 26.0-165.3 -98.5 117.4 37.7 45.8 6.4 105 111 A M - 0 0 18 -2,-0.7 49,-0.2 1,-0.1 3,-0.1 -0.310 28.7-112.9 -88.2 179.8 36.8 42.6 8.3 106 112 A D S S- 0 0 83 47,-1.8 2,-0.3 1,-0.3 48,-0.2 0.865 78.1 -38.0 -87.6 -35.9 38.2 39.2 7.5 107 113 A A E -G 153 0C 14 46,-1.7 46,-3.4 3,-0.0 -1,-0.3 -0.952 59.0 -98.1-172.6 170.6 35.1 37.4 6.3 108 114 A N E > -G 152 0C 56 44,-0.3 3,-1.5 -2,-0.3 44,-0.3 -0.684 45.2 -95.4-102.9 163.9 31.3 37.0 6.9 109 115 A L T >> S+ 0 0 1 42,-1.9 3,-4.4 39,-0.8 4,-1.6 0.705 103.5 89.8 -50.0 -29.6 29.6 34.3 8.9 110 116 A C H 3> S+ 0 0 61 1,-0.3 4,-0.9 41,-0.2 -1,-0.3 0.829 92.9 43.2 -38.2 -45.1 28.8 32.2 5.8 111 117 A Q H <4 S+ 0 0 89 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.396 107.3 61.9 -88.9 7.0 32.1 30.4 6.2 112 118 A V H X4 S+ 0 0 0 -3,-4.4 3,-1.7 -4,-0.2 -2,-0.2 0.767 96.6 57.9 -90.8 -34.0 31.7 30.1 10.0 113 119 A I H 3< S+ 0 0 15 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.918 100.9 55.8 -62.5 -45.0 28.5 28.0 9.7 114 120 A Q T 3< S+ 0 0 178 -4,-0.9 -1,-0.3 2,-0.1 2,-0.2 0.440 101.9 81.5 -66.9 1.8 30.4 25.4 7.7 115 121 A M S < S- 0 0 47 -3,-1.7 2,-0.5 94,-0.0 -3,-0.1 -0.639 81.2-125.5 -99.9 163.5 32.8 25.3 10.7 116 122 A E - 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0 0 50 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.130 36.4-109.5 -63.0 167.0 20.4 16.8 18.4 268 277 A D G > S+ 0 0 96 1,-0.3 3,-1.9 2,-0.2 -4,-0.0 0.747 111.4 76.2 -70.3 -29.0 23.7 16.5 20.3 269 278 A V G 3 S+ 0 0 138 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.738 95.9 55.0 -51.2 -21.5 25.5 15.0 17.3 270 279 A L G < S+ 0 0 74 -3,-1.3 -1,-0.3 -154,-0.0 -2,-0.2 0.633 99.9 68.4 -89.0 -17.2 25.4 18.7 16.2 271 280 A F S < S- 0 0 20 -3,-1.9 -153,-0.1 -4,-0.2 3,-0.1 -0.463 74.5-131.2 -99.1 169.8 27.2 20.2 19.2 272 281 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.886 57.6 -59.2 -84.3 -89.0 30.8 19.9 20.4 273 282 A A - 0 0 70 8,-0.0 2,-1.3 7,-0.0 -154,-0.3 -0.918 46.4-103.2-167.3 141.8 31.1 19.0 24.1 274 283 A D + 0 0 79 -2,-0.3 3,-0.2 -156,-0.1 6,-0.1 -0.512 42.9 175.6 -82.5 91.7 29.9 20.6 27.3 275 284 A S - 0 0 49 -2,-1.3 2,-0.5 4,-0.3 -1,-0.1 0.308 58.2 -27.3 -64.1-159.5 32.9 22.3 29.0 276 285 A E 0 0 162 1,-0.1 -1,-0.2 4,-0.0 4,-0.0 -0.496 360.0 360.0 -60.0 113.1 32.6 24.4 32.3 277 286 A H 0 0 63 -2,-0.5 -1,-0.1 -3,-0.2 3,-0.0 -0.451 360.0 360.0 -67.7 360.0 29.0 25.7 32.2 278 ! 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 0.0 279 289 A L 0 0 7 0, 0.0 -4,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 62.6 27.8 26.8 28.4 280 290 A K > - 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0 0 31 -2,-2.9 6,-0.1 -3,-0.2 -93,-0.1 -0.958 47.9-145.6-113.6 124.9 9.1 31.9 19.4 294 304 A I S S+ 0 0 20 -2,-0.5 2,-0.5 -62,-0.1 -108,-0.3 0.927 86.2 70.4 -57.6 -48.4 6.4 32.4 16.7 295 305 A D S S- 0 0 16 1,-0.1 4,-0.1 -110,-0.1 3,-0.1 -0.587 72.7-155.2 -72.3 121.1 4.6 34.9 18.9 296 306 A A S > S+ 0 0 14 -2,-0.5 3,-1.9 1,-0.2 -1,-0.1 0.929 92.7 52.7 -66.2 -47.4 6.5 38.2 19.2 297 307 A S T 3 S+ 0 0 94 1,-0.3 -1,-0.2 -103,-0.0 -2,-0.0 0.819 109.3 50.8 -56.6 -35.3 5.0 39.2 22.6 298 308 A K T 3 S+ 0 0 128 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.404 95.9 104.4 -78.9 1.0 6.0 35.8 24.1 299 309 A R S < S- 0 0 12 -3,-1.9 -8,-0.2 -4,-0.1 -103,-0.1 -0.704 75.9-109.4 -99.7 137.8 9.5 36.2 22.8 300 310 A I - 0 0 18 -10,-1.7 2,-0.2 -2,-0.4 -101,-0.1 -0.067 32.5-138.0 -45.8 146.0 12.8 37.1 24.7 301 311 A S > - 0 0 38 1,-0.1 4,-2.7 -102,-0.1 5,-0.1 -0.516 26.9 -99.0-102.0-179.6 14.3 40.5 24.1 302 312 A V H > S+ 0 0 4 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.986 121.9 53.6 -59.2 -62.6 18.0 41.5 23.7 303 313 A D H > S+ 0 0 81 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.866 114.7 43.0 -37.4 -49.9 18.4 42.6 27.3 304 314 A E H >> S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 3,-0.6 0.913 109.8 55.0 -68.5 -43.7 17.1 39.2 28.4 305 315 A A H 3< S+ 0 0 0 -4,-2.7 6,-0.3 1,-0.3 -2,-0.2 0.865 105.9 56.0 -55.5 -37.3 19.1 37.3 25.8 306 316 A L H 3< S+ 0 0 0 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.820 109.4 43.5 -67.0 -31.3 22.1 39.1 27.3 307 317 A Q H << S+ 0 0 90 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.716 83.6 115.0 -81.9 -23.5 21.3 37.7 30.8 308 318 A H S >X S- 0 0 12 -4,-1.9 3,-3.7 1,-0.1 4,-1.5 -0.361 78.8-120.9 -58.8 113.1 20.6 34.3 29.5 309 319 A P H 3> S+ 0 0 65 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.565 107.9 57.7 -21.7 -53.8 23.4 32.1 31.1 310 320 A Y H 34 S+ 0 0 0 -27,-0.4 -183,-0.1 1,-0.2 -26,-0.1 0.705 121.6 28.0 -60.6 -25.9 24.9 30.9 27.8 311 321 A I H X4 S+ 0 0 1 -3,-3.7 3,-1.5 -6,-0.3 -1,-0.2 0.765 107.7 76.0 -97.8 -38.4 25.5 34.5 26.7 312 322 A N H >< S+ 0 0 64 -4,-1.5 3,-1.3 1,-0.3 -2,-0.2 0.579 73.0 79.3 -53.9 -20.9 25.9 36.0 30.1 313 323 A V T 3< S+ 0 0 54 -4,-1.0 -1,-0.3 1,-0.2 -3,-0.1 0.455 97.7 44.3 -73.6 1.8 29.4 34.7 30.7 314 324 A W T < S+ 0 0 8 -3,-1.5 -1,-0.2 -191,-0.1 -2,-0.2 0.300 81.8 147.5-117.1 3.1 30.9 37.5 28.5 315 325 A Y < + 0 0 71 -3,-1.3 -3,-0.1 -4,-0.2 -8,-0.0 -0.106 16.2 170.1 -49.8 120.1 28.8 40.3 30.0 316 326 A D >> - 0 0 50 1,-0.1 4,-2.6 2,-0.0 3,-2.3 -0.921 22.8-158.5-136.0 109.2 30.6 43.6 30.1 317 327 A P H 3> S+ 0 0 61 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.748 94.1 60.6 -70.1 -19.0 28.5 46.6 30.9 318 328 A S H 34 S+ 0 0 89 1,-0.2 -2,-0.0 2,-0.2 0, 0.0 0.729 118.0 33.0 -71.7 -18.8 30.9 49.0 29.3 319 329 A E H <4 S+ 0 0 9 -3,-2.3 -1,-0.2 2,-0.1 3,-0.2 0.651 127.6 41.3-103.8 -27.0 30.1 47.0 26.1 320 330 A A H < S+ 0 0 5 -4,-2.6 -2,-0.2 1,-0.1 -5,-0.0 0.901 121.1 34.7 -89.0 -52.5 26.5 46.2 27.1 321 331 A E S < S+ 0 0 113 -4,-2.3 -1,-0.1 -5,-0.2 -3,-0.1 -0.190 82.8 154.5-102.0 41.7 25.2 49.5 28.5 322 332 A A - 0 0 24 -3,-0.2 -3,-0.1 1,-0.1 -4,-0.1 -0.355 59.5 -85.4 -63.1 144.5 27.1 51.9 26.3 323 333 A P - 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -248,-0.1 -0.293 55.6-112.6 -44.2 130.9 25.7 55.3 25.7 324 334 A P - 0 0 72 0, 0.0 -188,-0.1 0, 0.0 -189,-0.1 -0.326 38.0 -89.1 -71.8 157.5 23.3 55.0 22.8 325 335 A P - 0 0 19 0, 0.0 2,-0.7 0, 0.0 -251,-0.2 -0.318 39.2-118.9 -66.4 151.3 24.2 56.6 19.5 326 336 A K - 0 0 100 -253,-0.7 -187,-0.0 -3,-0.1 3,-0.0 -0.841 23.1-158.0 -93.2 111.2 23.0 60.2 19.0 327 337 A I - 0 0 54 -2,-0.7 3,-0.2 1,-0.0 -257,-0.1 -0.799 33.0-107.7 -85.6 118.7 20.6 60.4 16.0 328 338 A P > - 0 0 58 0, 0.0 3,-1.0 0, 0.0 4,-0.3 -0.271 63.4 -71.7 -50.2 130.6 20.5 64.0 14.8 329 339 A D T 3 S- 0 0 132 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.156 102.8 -19.0 -45.9 130.7 17.1 65.3 15.9 330 340 A K T 3 S+ 0 0 171 -3,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.835 90.6 127.8 39.1 50.6 14.0 63.9 14.1 331 341 A Q < + 0 0 46 -3,-1.0 -2,-0.1 -4,-0.0 -1,-0.1 0.725 66.7 59.0 -96.0 -29.9 15.9 62.8 11.0 332 342 A L + 0 0 54 -4,-0.3 3,-0.2 2,-0.1 -266,-0.1 0.986 69.4 116.2 -56.7 -61.0 14.4 59.3 11.2 333 343 A D S S- 0 0 69 1,-0.2 2,-0.7 2,-0.1 -1,-0.0 0.311 72.0-133.3 -18.9 88.3 10.8 60.4 10.9 334 344 A E + 0 0 65 1,-0.2 -1,-0.2 2,-0.0 -2,-0.1 -0.378 39.4 166.8 -58.7 100.3 10.1 58.7 7.6 335 345 A R - 0 0 64 -2,-0.7 -1,-0.2 -3,-0.2 -2,-0.1 0.448 39.7-125.4-107.6 -1.6 8.4 61.7 5.9 336 346 A E - 0 0 69 1,-0.1 2,-0.1 -278,-0.1 -2,-0.0 0.981 36.2-167.8 57.2 85.5 8.3 60.6 2.2 337 347 A H - 0 0 58 -279,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.393 23.0 -86.8-101.4 171.0 10.0 63.3 0.1 338 348 A T > - 0 0 55 1,-0.1 4,-3.3 -2,-0.1 3,-0.3 -0.508 36.3-113.3 -75.6 144.2 10.3 64.2 -3.6 339 349 A I H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.815 123.2 51.2 -33.3 -38.4 13.0 62.7 -5.8 340 350 A E H > S+ 0 0 121 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.905 109.3 45.9 -74.5 -45.3 14.2 66.4 -5.8 341 351 A E H > S+ 0 0 94 -3,-0.3 4,-2.4 2,-0.2 3,-0.3 0.892 112.2 54.3 -63.6 -43.9 14.1 66.9 -2.1 342 352 A W H X S+ 0 0 13 -4,-3.3 4,-2.0 1,-0.2 5,-0.3 0.965 101.9 55.1 -51.3 -64.1 15.9 63.5 -1.6 343 353 A K H X S+ 0 0 38 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.779 113.4 44.3 -39.6 -39.0 18.8 64.4 -3.9 344 354 A E H X S+ 0 0 111 -4,-1.0 4,-2.0 -3,-0.3 -1,-0.2 0.925 107.3 56.7 -76.7 -47.7 19.5 67.5 -1.8 345 355 A L H X S+ 0 0 49 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.869 110.5 44.9 -51.1 -46.5 19.1 65.8 1.6 346 356 A I H >X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 3,-1.7 0.932 107.7 55.5 -65.4 -51.2 21.8 63.3 0.9 347 357 A Y H 3X S+ 0 0 30 -4,-1.3 4,-2.6 1,-0.3 -1,-0.2 0.819 104.9 55.9 -57.7 -31.6 24.3 65.8 -0.7 348 358 A K H 3< S+ 0 0 157 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.766 109.6 46.0 -70.4 -25.6 24.0 67.7 2.5 349 359 A E H << S+ 0 0 26 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.2 0.781 113.4 48.0 -86.2 -29.7 25.0 64.6 4.4 350 360 A V H >< S+ 0 0 10 -4,-2.3 2,-1.4 1,-0.2 3,-0.6 0.890 102.1 72.2 -71.8 -40.1 27.9 63.8 2.0 351 361 A M T 3< + 0 0 72 -4,-2.6 -1,-0.2 -5,-0.2 -265,-0.1 -0.646 57.2 101.5 -85.2 90.6 29.1 67.4 2.3 352 362 A D T 3 0 0 120 -2,-1.4 -1,-0.2 -3,-0.1 -2,-0.1 0.439 360.0 360.0-122.1 -35.0 30.7 67.8 5.7 353 363 A L < 0 0 196 -3,-0.6 -268,-0.1 -268,-0.2 -2,-0.0 -0.413 360.0 360.0 63.5 360.0 34.3 67.6 4.6 354 !* 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 0.0 355 154 B P 0 0 107 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.6 36.6 31.7 31.2 356 155 B K - 0 0 161 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.504 360.0-116.3 -66.0 137.4 39.1 33.5 29.0 357 156 B R - 0 0 67 -2,-0.2 -236,-0.1 1,-0.1 -1,-0.1 -0.528 38.3-101.3 -67.8 145.5 37.5 35.1 26.0 358 157 B P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.361 30.5-172.8 -68.3 154.4 38.8 33.7 22.7 359 158 B T + 0 0 90 -204,-0.1 2,-0.3 -3,-0.1 -202,-0.2 0.120 61.3 73.0-123.9 18.6 41.4 35.6 20.7 360 159 B T + 0 0 68 -204,-0.3 2,-0.3 -203,-0.1 -204,-0.3 -0.993 43.7 175.5-153.8 131.6 41.3 33.4 17.6 361 160 B L - 0 0 5 -206,-1.9 2,-1.6 -2,-0.3 -204,-0.1 -0.922 26.5-137.3-148.4 121.3 39.3 32.4 14.6 362 161 B N + 0 0 95 -2,-0.3 -207,-0.0 1,-0.2 -2,-0.0 -0.515 33.4 161.9 -82.7 87.6 40.2 30.0 11.8 363 162 B L 0 0 24 -2,-1.6 -1,-0.2 1,-0.2 -208,-0.0 0.122 360.0 360.0 -92.7 21.1 39.1 31.8 8.6 364 163 B F 0 0 231 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.912 360.0 360.0 -94.1 360.0 41.2 29.8 6.1