==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-OCT-11 3U8W . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MOHR,S.JORDAN . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 65.6 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 . 44 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 . 3 0.9 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 . 29 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 4 1 0 1 0 1 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 0 1 2 0 1 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 0 241 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.1 26.9 -39.5 -37.7 2 5 A R - 0 0 88 1,-0.0 2,-0.1 3,-0.0 3,-0.0 -0.794 360.0-133.3 -98.1 132.1 24.3 -37.9 -40.0 3 6 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.315 30.9 -97.4 -71.8 163.6 21.1 -39.7 -41.0 4 7 A T - 0 0 85 -2,-0.1 15,-2.3 1,-0.0 2,-0.3 -0.709 41.4-154.9 -83.3 135.3 19.9 -39.9 -44.6 5 8 A F E -A 18 0A 25 -2,-0.4 2,-0.3 13,-0.3 11,-0.0 -0.766 7.2-161.0-108.5 154.6 17.2 -37.3 -45.4 6 9 A Y E -A 17 0A 59 11,-2.4 11,-2.0 -2,-0.3 2,-0.2 -0.986 15.6-126.0-135.1 149.2 14.5 -37.2 -48.0 7 10 A R E +A 16 0A 152 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.612 28.7 164.8 -98.7 154.0 12.5 -34.4 -49.5 8 11 A Q E -A 15 0A 56 7,-1.5 7,-3.0 -2,-0.2 2,-0.7 -0.952 36.7-117.3-166.3 136.4 8.7 -34.0 -49.7 9 12 A E E +A 14 0A 137 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.765 38.4 170.3 -88.7 114.0 6.3 -31.2 -50.4 10 13 A L E > -A 13 0A 15 3,-2.3 3,-2.2 -2,-0.7 2,-0.3 -0.988 63.6 -26.3-127.4 131.7 4.0 -30.5 -47.5 11 14 A N T 3 S- 0 0 84 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.528 125.6 -41.1 62.3-123.7 1.7 -27.5 -47.2 12 15 A K T 3 S+ 0 0 187 -2,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.086 123.6 75.0-122.1 21.4 3.7 -25.1 -49.4 13 16 A T E < S-A 10 0A 62 -3,-2.2 -3,-2.3 -5,-0.0 2,-0.8 -0.891 82.9-106.6-126.8 161.3 7.3 -25.8 -48.3 14 17 A I E -A 9 0A 76 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.811 31.7-153.0 -89.6 111.9 9.7 -28.7 -48.9 15 18 A W E -A 8 0A 0 -7,-3.0 -7,-1.5 -2,-0.8 2,-0.5 -0.733 7.5-166.7 -84.0 129.0 10.1 -30.8 -45.8 16 19 A E E +A 7 0A 47 -2,-0.4 -9,-0.2 -9,-0.2 -2,-0.0 -0.944 21.4 163.5-121.0 106.1 13.5 -32.6 -45.6 17 20 A V E -A 6 0A 0 -11,-2.0 -11,-2.4 -2,-0.5 -2,-0.0 -0.875 42.1 -92.1-128.1 151.1 13.4 -35.2 -42.9 18 21 A P E > -A 5 0A 3 0, 0.0 3,-1.9 0, 0.0 -13,-0.3 -0.288 42.8-111.0 -58.0 150.1 15.4 -38.3 -41.8 19 22 A E T 3 S+ 0 0 111 -15,-2.3 22,-0.1 1,-0.3 -14,-0.1 0.724 110.3 75.7 -55.1 -29.1 14.3 -41.6 -43.3 20 23 A R T 3 S+ 0 0 41 -16,-0.2 21,-2.8 20,-0.1 2,-0.6 0.794 83.5 76.1 -56.0 -29.1 13.1 -42.9 -39.9 21 24 A Y E < +B 40 0B 0 -3,-1.9 2,-0.3 19,-0.2 19,-0.2 -0.779 67.9 172.7 -93.4 118.0 10.1 -40.6 -40.3 22 25 A Q E +B 39 0B 70 17,-2.5 17,-2.7 -2,-0.6 -2,-0.0 -0.792 46.5 23.8-124.8 161.8 7.5 -42.0 -42.7 23 26 A N E S- 0 0 119 -2,-0.3 2,-0.2 15,-0.2 -1,-0.2 0.880 72.3-163.0 51.3 51.3 4.0 -41.3 -43.9 24 27 A L E - 0 0 12 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.434 11.2-179.7 -67.4 130.9 4.0 -37.5 -43.1 25 28 A S E -B 37 0B 63 12,-2.6 12,-3.1 -2,-0.2 -15,-0.1 -0.985 31.2-112.9-139.3 122.1 0.5 -36.0 -43.0 26 29 A P E +B 36 0B 62 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.289 30.4 178.6 -54.2 130.0 -0.4 -32.3 -42.3 27 30 A V E - 0 0 81 8,-2.7 2,-0.3 1,-0.3 9,-0.1 0.011 48.4 -95.0-124.9 26.1 -2.3 -31.9 -39.0 28 31 A G E - 0 0 42 7,-0.3 7,-1.7 2,-0.0 2,-0.3 -0.781 63.6 -27.9 106.1-143.0 -2.7 -28.1 -38.8 29 32 A S E -B 34 0B 118 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.894 45.6-174.3-122.6 145.5 -0.7 -25.4 -37.1 30 33 A G E > -B 33 0B 32 3,-3.2 3,-1.2 -2,-0.3 2,-1.0 -0.595 53.1 -49.3-121.1-173.0 1.6 -25.3 -34.0 31 34 A A T 3 S- 0 0 29 1,-0.3 3,-0.1 -2,-0.2 134,-0.0 -0.484 123.7 -18.9 -66.0 100.3 3.5 -22.6 -32.1 32 35 A Y T 3 S+ 0 0 76 -2,-1.0 21,-1.0 1,-0.1 -1,-0.3 0.915 130.5 38.5 67.3 50.1 5.3 -20.7 -34.9 33 36 A G E < S-BC 30 52B 9 -3,-1.2 -3,-3.2 19,-0.2 2,-0.2 -0.826 85.1 -78.8 159.0 164.0 5.1 -23.3 -37.6 34 37 A S E -BC 29 51B 25 17,-0.9 17,-2.3 -2,-0.2 2,-0.4 -0.606 40.3-145.5 -87.8 149.4 3.3 -26.1 -39.5 35 38 A V E - C 0 50B 20 -7,-1.7 -8,-2.7 -2,-0.2 2,-0.4 -0.938 10.5-166.4-123.7 134.5 3.0 -29.6 -38.0 36 39 A C E -BC 26 49B 0 13,-3.0 13,-3.3 -2,-0.4 2,-0.2 -0.970 19.0-133.3-117.7 136.2 2.9 -33.0 -39.7 37 40 A A E +BC 25 48B 6 -12,-3.1 -12,-2.6 -2,-0.4 2,-0.3 -0.609 37.3 170.8 -75.0 145.7 1.9 -36.3 -38.1 38 41 A A E - C 0 47B 0 9,-2.2 9,-2.9 -2,-0.2 2,-0.6 -0.967 37.2-114.3-151.3 161.7 4.4 -39.1 -38.9 39 42 A F E -BC 22 46B 75 -17,-2.7 -17,-2.5 -2,-0.3 2,-1.0 -0.939 25.2-146.2-102.1 122.1 5.3 -42.6 -38.0 40 43 A D E >>> -BC 21 45B 0 5,-3.1 4,-2.6 -2,-0.6 5,-0.7 -0.800 10.2-167.9 -89.4 102.8 8.7 -42.9 -36.3 41 44 A T T 345S+ 0 0 75 -21,-2.8 -1,-0.2 -2,-1.0 -20,-0.1 0.753 82.6 56.8 -62.8 -27.2 10.1 -46.2 -37.5 42 45 A K T 345S+ 0 0 162 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.795 122.3 21.8 -76.6 -29.7 12.9 -46.2 -34.9 43 46 A T T <45S- 0 0 70 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.609 97.7-123.7-113.0 -18.9 10.6 -45.9 -31.8 44 47 A G T <5 + 0 0 48 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.682 67.3 131.4 79.9 20.3 7.3 -47.2 -33.1 45 48 A L E < -C 40 0B 58 -5,-0.7 -5,-3.1 59,-0.0 2,-0.5 -0.813 63.6-126.2-106.4 143.0 5.5 -44.0 -32.1 46 49 A R E -C 39 0B 115 -2,-0.3 59,-1.6 -7,-0.2 2,-0.3 -0.792 46.7-171.1 -75.2 126.8 3.2 -41.8 -34.1 47 50 A V E -CD 38 104B 0 -9,-2.9 -9,-2.2 -2,-0.5 2,-0.5 -0.805 27.2-125.1-123.7 161.6 4.9 -38.4 -33.7 48 51 A A E -CD 37 103B 12 55,-2.4 55,-2.3 -2,-0.3 2,-0.6 -0.949 22.3-163.2-106.3 126.1 4.3 -34.8 -34.4 49 52 A V E -CD 36 102B 0 -13,-3.3 -13,-3.0 -2,-0.5 2,-0.6 -0.952 3.7-165.1-111.6 116.7 6.9 -33.0 -36.5 50 53 A K E -CD 35 101B 24 51,-3.1 51,-2.8 -2,-0.6 2,-0.6 -0.912 5.7-157.7-104.3 121.3 6.9 -29.2 -36.4 51 54 A K E -CD 34 100B 18 -17,-2.3 -17,-0.9 -2,-0.6 2,-0.3 -0.881 22.1-130.1 -93.6 118.9 8.9 -27.3 -39.1 52 55 A L E -C 33 0B 3 47,-2.5 47,-0.4 -2,-0.6 -19,-0.2 -0.592 16.3-142.8 -71.6 129.2 9.7 -23.8 -37.8 53 56 A S S S- 0 0 81 -21,-1.0 -1,-0.1 -2,-0.3 -20,-0.1 0.925 79.6 -8.6 -55.9 -67.7 8.7 -21.2 -40.4 54 57 A R S > S+ 0 0 160 -22,-0.2 3,-0.9 1,-0.1 -1,-0.2 -0.708 72.9 174.9-135.6 83.3 11.2 -18.5 -40.4 55 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.737 77.4 25.2 -70.8 -26.3 13.3 -19.3 -37.4 56 59 A F T 3 S+ 0 0 19 41,-0.2 279,-0.1 1,-0.1 3,-0.0 -0.137 80.1 114.6-132.6 37.2 16.0 -16.6 -37.8 57 60 A Q S < S+ 0 0 99 -3,-0.9 2,-0.3 274,-0.0 -1,-0.1 0.751 88.6 7.5 -79.2 -25.5 14.3 -13.8 -39.8 58 61 A S S > S- 0 0 33 -4,-0.2 4,-2.2 -3,-0.1 5,-0.1 -0.857 80.6-102.0-142.2 175.3 14.6 -11.3 -36.8 59 62 A I H > S+ 0 0 89 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.908 122.4 51.3 -66.1 -43.2 16.1 -11.1 -33.3 60 63 A I H > S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.878 113.7 43.9 -63.4 -39.2 12.7 -11.8 -31.8 61 64 A H H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 112.6 51.6 -70.2 -44.8 12.2 -14.9 -34.0 62 65 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.885 112.5 46.3 -59.8 -42.0 15.8 -16.2 -33.5 63 66 A K H X S+ 0 0 28 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.857 112.3 48.9 -71.2 -38.6 15.5 -15.9 -29.7 64 67 A R H X S+ 0 0 33 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.826 108.2 54.4 -73.1 -31.9 12.1 -17.6 -29.5 65 68 A T H X S+ 0 0 1 -4,-2.2 4,-2.3 -10,-0.4 -2,-0.2 0.968 113.5 42.9 -56.5 -54.0 13.3 -20.5 -31.7 66 69 A Y H X S+ 0 0 10 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.897 114.0 53.0 -56.5 -44.4 16.2 -20.9 -29.1 67 70 A R H X S+ 0 0 38 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.923 109.7 45.8 -59.1 -50.1 13.6 -20.4 -26.3 68 71 A E H X S+ 0 0 17 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.915 114.2 48.9 -62.7 -43.3 11.3 -23.2 -27.6 69 72 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.943 112.2 47.3 -61.5 -50.2 14.2 -25.6 -28.2 70 73 A R H X S+ 0 0 40 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.904 113.6 49.5 -55.7 -46.2 15.7 -25.0 -24.7 71 74 A L H X S+ 0 0 5 -4,-2.4 4,-1.2 -5,-0.2 3,-0.3 0.937 113.8 44.0 -57.6 -51.9 12.2 -25.4 -23.1 72 75 A L H < S+ 0 0 9 -4,-2.6 11,-1.1 1,-0.2 -2,-0.2 0.870 111.2 54.2 -64.2 -39.5 11.5 -28.7 -25.0 73 76 A K H < S+ 0 0 41 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.789 107.6 52.1 -64.4 -30.5 15.0 -30.1 -24.3 74 77 A H H < S+ 0 0 44 -4,-1.4 2,-0.6 -3,-0.3 244,-0.2 0.817 90.1 87.4 -75.5 -33.8 14.5 -29.5 -20.6 75 78 A M < + 0 0 3 -4,-1.2 8,-0.4 -3,-0.2 2,-0.3 -0.602 39.0 160.5 -84.6 116.7 11.2 -31.3 -20.1 76 79 A K + 0 0 156 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.704 33.6 116.9-130.9 78.3 11.3 -35.0 -19.4 77 80 A H B > -F 80 0C 17 3,-0.5 3,-1.6 -2,-0.3 57,-0.0 -0.997 67.0-124.7-148.9 141.2 8.0 -35.9 -17.8 78 81 A E T 3 S+ 0 0 122 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.785 112.5 42.2 -52.4 -35.3 5.0 -38.2 -18.8 79 82 A N T 3 S+ 0 0 7 83,-0.1 84,-2.2 2,-0.1 2,-0.4 0.173 106.2 71.8-104.2 14.8 2.5 -35.3 -18.5 80 83 A V B < S-Fg 77 163C 2 -3,-1.6 -3,-0.5 82,-0.3 84,-0.2 -0.997 87.7-109.8-132.6 133.8 4.6 -32.6 -20.2 81 84 A I + 0 0 10 82,-2.8 2,-0.2 -2,-0.4 -6,-0.1 -0.409 47.2 174.8 -63.2 135.8 5.4 -32.4 -23.9 82 85 A G - 0 0 13 -2,-0.1 2,-0.7 -4,-0.1 22,-0.4 -0.819 34.9 -84.0-138.3 177.1 9.1 -33.1 -24.5 83 86 A L + 0 0 12 -11,-1.1 20,-0.2 -8,-0.4 3,-0.1 -0.772 32.7 170.4 -97.7 109.9 11.6 -33.5 -27.3 84 87 A L S S- 0 0 17 18,-2.4 2,-0.3 -2,-0.7 19,-0.2 0.842 77.3 -13.4 -76.1 -37.5 11.9 -37.0 -29.0 85 88 A D E -E 102 0B 20 17,-1.4 17,-2.7 262,-0.1 -1,-0.3 -0.979 53.9-165.0-159.4 154.8 14.1 -35.6 -31.7 86 89 A V E +E 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.964 23.8 165.8-143.8 137.5 15.3 -32.3 -33.2 87 90 A F E -E 100 0B 12 13,-1.9 13,-2.2 -2,-0.3 256,-0.0 -0.981 25.7-159.9-150.0 160.9 17.1 -32.0 -36.6 88 91 A T - 0 0 12 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.989 23.6-138.5-136.8 139.2 18.2 -29.9 -39.4 89 92 A P S S+ 0 0 17 0, 0.0 -84,-0.1 0, 0.0 2,-0.1 0.636 74.4 111.6 -63.8 -14.0 19.1 -30.9 -43.0 90 93 A A - 0 0 11 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.333 55.3-161.4 -70.0 142.0 22.1 -28.6 -42.8 91 94 A R S S+ 0 0 176 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.441 76.4 20.4 -99.0 -5.3 25.6 -30.0 -42.7 92 95 A S S S- 0 0 35 1,-0.1 3,-0.4 0, 0.0 4,-0.4 -0.967 78.5-109.2-154.2 165.6 27.1 -26.8 -41.2 93 96 A L S > S+ 0 0 49 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.822 114.8 64.7 -65.1 -32.1 26.3 -23.6 -39.3 94 97 A E T 3 S+ 0 0 158 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.805 112.3 31.6 -64.4 -32.9 26.9 -21.6 -42.5 95 98 A E T 3 S+ 0 0 108 -3,-0.4 2,-0.9 2,-0.0 -1,-0.2 0.327 90.6 125.2-105.2 5.4 24.0 -23.3 -44.3 96 99 A F < + 0 0 0 -3,-0.7 243,-0.1 -4,-0.4 3,-0.1 -0.554 16.5 127.4 -75.1 99.1 21.8 -23.8 -41.2 97 100 A N + 0 0 88 -2,-0.9 2,-0.4 1,-0.1 -41,-0.2 0.584 52.4 66.9-125.7 -19.9 18.4 -22.2 -41.7 98 101 A D - 0 0 52 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.895 51.3-169.4-113.7 140.8 15.7 -24.8 -40.8 99 102 A V - 0 0 0 -47,-0.4 -47,-2.5 -2,-0.4 2,-0.4 -0.995 3.0-166.7-125.9 132.8 14.7 -26.4 -37.5 100 103 A Y E -DE 51 87B 1 -13,-2.2 -13,-1.9 -2,-0.4 2,-0.4 -0.980 6.1-158.1-119.0 131.1 12.4 -29.4 -37.1 101 104 A L E -DE 50 86B 3 -51,-2.8 -51,-3.1 -2,-0.4 2,-0.5 -0.909 3.3-160.4-110.3 134.0 11.0 -30.4 -33.7 102 105 A V E +DE 49 85B 0 -17,-2.7 -18,-2.4 -2,-0.4 -17,-1.4 -0.963 19.5 158.7-119.2 125.1 9.7 -33.9 -33.0 103 106 A T E -D 48 0B 24 -55,-2.3 -55,-2.4 -2,-0.5 -20,-0.1 -0.803 48.9 -73.2-129.0 170.5 7.3 -34.7 -30.0 104 107 A H E -D 47 0B 62 -22,-0.4 2,-0.8 -2,-0.3 -57,-0.2 -0.406 46.5-130.4 -55.8 140.8 4.8 -37.4 -29.0 105 108 A L - 0 0 56 -59,-1.6 2,-0.4 -67,-0.1 -59,-0.2 -0.886 21.3-169.4-101.6 103.4 1.6 -37.1 -31.0 106 109 A M - 0 0 22 -2,-0.8 50,-0.2 1,-0.1 49,-0.1 -0.784 30.6-121.6 -83.4 135.4 -1.4 -37.2 -28.7 107 110 A G S S- 0 0 70 -2,-0.4 2,-0.2 47,-0.1 49,-0.2 0.768 75.8 -15.6 -48.2 -38.6 -4.5 -37.6 -30.9 108 111 A A E -H 155 0C 30 47,-2.1 47,-2.9 -3,-0.0 2,-0.2 -0.845 66.0 -95.1-153.7 179.7 -6.3 -34.4 -29.9 109 112 A D E > -H 154 0C 39 45,-0.3 4,-1.5 -2,-0.2 3,-0.5 -0.606 46.3 -97.7-102.6 173.3 -6.7 -31.6 -27.4 110 113 A L H > S+ 0 0 2 40,-1.7 4,-1.8 43,-1.4 5,-0.2 0.859 122.5 59.3 -59.9 -39.4 -9.1 -31.3 -24.4 111 114 A N H > S+ 0 0 71 39,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.882 104.4 51.4 -52.9 -43.5 -11.6 -29.3 -26.5 112 115 A N H > S+ 0 0 60 -3,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.887 108.8 48.1 -64.7 -43.1 -11.9 -32.2 -28.9 113 116 A I H X S+ 0 0 27 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.825 109.8 52.5 -72.4 -30.4 -12.5 -34.9 -26.3 114 117 A V H < S+ 0 0 69 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 107.4 54.9 -69.3 -32.4 -15.2 -32.8 -24.6 115 118 A K H < S+ 0 0 162 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.855 120.0 29.5 -64.5 -38.3 -16.9 -32.4 -28.0 116 119 A C H < S+ 0 0 97 -4,-1.3 2,-0.4 1,-0.1 -2,-0.2 0.664 120.4 46.2-100.8 -22.2 -17.1 -36.2 -28.6 117 120 A Q < - 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0 0 40 -55,-1.1 4,-1.7 1,-0.1 5,-0.1 -0.661 60.9-159.0 -82.4 128.5 -0.4 -0.4 -10.0 250 253 A E H > S+ 0 0 134 -2,-0.4 4,-1.7 2,-0.2 -1,-0.1 0.817 93.0 49.1 -78.3 -33.4 -2.0 2.7 -8.7 251 254 A S H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 109.5 53.5 -68.9 -40.7 -4.6 3.0 -11.5 252 255 A A H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.901 110.1 47.1 -59.5 -44.0 -5.6 -0.6 -10.9 253 256 A R H X S+ 0 0 64 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.908 110.0 53.4 -61.6 -45.7 -6.1 -0.0 -7.2 254 257 A N H X S+ 0 0 111 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.874 110.8 47.1 -57.0 -41.9 -8.1 3.1 -8.0 255 258 A Y H >X S+ 0 0 74 -4,-2.2 3,-0.9 2,-0.2 4,-0.6 0.912 110.7 51.0 -67.5 -44.8 -10.3 1.1 -10.3 256 259 A I H >< S+ 0 0 8 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.912 105.9 55.6 -58.9 -44.5 -10.8 -1.8 -7.7 257 260 A Q H 3< S+ 0 0 139 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.687 100.9 60.9 -62.2 -19.5 -11.8 0.7 -5.0 258 261 A S H << S+ 0 0 83 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.691 86.6 96.6 -79.5 -20.5 -14.6 2.0 -7.3 259 262 A L S << S- 0 0 35 -3,-1.4 2,-0.3 -4,-0.6 3,-0.0 -0.464 85.0-110.8 -75.2 139.3 -16.2 -1.4 -7.4 260 263 A T - 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