==== 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 29-JUN-12 4FV3 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY,VERTEX-CRYSTALLOGRAPHERS . 347 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 59.7 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 . 41 11.8 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 . 12 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 29.1 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 1 3 0 1 0 1 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 . 2 2 2 0 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 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 9 A P 0 0 147 0, 0.0 9,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 116.8 25.7 12.5 35.9 2 10 A E - 0 0 64 7,-0.3 7,-1.5 6,-0.1 2,-0.3 -0.419 360.0-162.3 -75.0 149.7 26.8 13.4 32.3 3 11 A M B -A 8 0A 112 5,-0.2 2,-0.5 -2,-0.1 5,-0.2 -0.973 11.3-144.0-138.1 149.7 24.4 15.3 30.0 4 12 A V S S- 0 0 19 3,-1.8 15,-0.1 -2,-0.3 -2,-0.0 -0.975 77.8 -16.4-121.7 118.7 24.1 15.9 26.2 5 13 A R S S- 0 0 183 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.919 128.7 -47.1 54.2 57.0 22.8 19.2 24.7 6 14 A G S S+ 0 0 78 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.871 115.4 109.0 55.8 48.1 21.2 20.5 28.0 7 15 A Q S S- 0 0 51 2,-0.0 -3,-1.8 21,-0.0 -1,-0.1 -0.921 74.2-107.5-153.8 124.5 19.4 17.2 28.8 8 16 A V B +A 3 0A 63 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.206 32.5 179.4 -52.8 132.1 20.1 14.7 31.7 9 17 A F + 0 0 2 -7,-1.5 2,-1.2 83,-0.0 -7,-0.3 -0.571 5.3 172.3-138.5 69.4 21.7 11.4 30.4 10 18 A D + 0 0 82 1,-0.2 82,-0.1 -9,-0.1 -7,-0.1 -0.685 26.5 131.0 -88.2 89.4 22.3 9.3 33.5 11 19 A V > + 0 0 3 -2,-1.2 4,-1.0 4,-0.3 3,-0.4 0.373 47.3 160.7-116.9 -4.8 23.4 5.8 32.1 12 20 A G T 4 + 0 0 54 1,-0.2 4,-0.1 2,-0.2 -2,-0.0 -0.097 35.4 26.7 -66.1 163.2 26.5 5.3 34.2 13 21 A P T 4 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 22,-0.1 -0.998 125.7 40.0 -87.0 -12.0 28.6 3.5 35.4 14 22 A R T 4 S+ 0 0 74 -3,-0.4 21,-3.0 1,-0.1 2,-0.5 0.853 116.8 48.8 -64.4 -40.2 28.3 0.9 32.6 15 23 A Y E < +B 34 0B 5 -4,-1.0 -4,-0.3 19,-0.2 2,-0.2 -0.925 69.9 151.6-113.9 124.2 28.0 3.4 29.7 16 24 A T E +B 33 0B 60 17,-2.0 17,-3.2 -2,-0.5 -2,-0.0 -0.748 40.1 57.1-135.0 179.8 30.3 6.4 29.3 17 25 A N E S- 0 0 115 -2,-0.2 -1,-0.2 15,-0.2 2,-0.2 0.960 71.7-160.4 53.4 62.6 31.9 8.8 26.6 18 26 A L E - 0 0 34 14,-0.2 2,-0.3 -3,-0.1 14,-0.2 -0.464 15.8-177.1 -74.9 143.9 28.5 10.0 25.2 19 27 A S E -B 31 0B 52 12,-1.7 12,-2.8 -2,-0.2 -15,-0.1 -0.987 29.6-110.8-143.4 129.9 28.1 11.6 21.8 20 28 A Y E +B 30 0B 69 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.291 38.9 161.3 -62.3 144.0 24.9 13.1 20.3 21 29 A I E - 0 0 86 8,-1.8 2,-0.3 1,-0.4 9,-0.2 0.578 58.9 -30.8-122.7 -67.1 23.2 11.3 17.3 22 30 A G E -B 29 0B 23 7,-1.4 7,-2.6 0, 0.0 -1,-0.4 -0.924 43.0-131.3-153.1 174.8 19.5 12.4 17.1 23 31 A E E -B 28 0B 124 -2,-0.3 5,-0.3 5,-0.2 2,-0.0 -0.970 21.0-166.3-141.9 118.8 16.4 13.7 18.9 24 32 A G - 0 0 56 3,-1.8 3,-0.0 -2,-0.4 5,-0.0 0.001 44.6 -81.6 -87.6-165.9 12.9 12.3 18.4 25 33 A A S S+ 0 0 78 1,-0.2 3,-0.1 -2,-0.0 29,-0.1 0.739 126.7 9.3 -72.4 -27.7 9.4 13.6 19.5 26 34 A Y S S+ 0 0 33 19,-0.1 21,-2.3 28,-0.1 2,-0.3 0.065 128.6 30.8-143.8 26.2 9.8 12.3 23.1 27 35 A G E - C 0 46B 17 19,-0.2 -3,-1.8 21,-0.1 2,-0.3 -0.979 59.7-124.9-170.2 177.2 13.4 11.1 23.3 28 36 A M E -BC 23 45B 0 17,-2.0 17,-3.3 -2,-0.3 2,-0.4 -0.992 14.4-147.7-139.1 141.8 17.1 11.4 22.4 29 37 A V E +BC 22 44B 40 -7,-2.6 -8,-1.8 -2,-0.3 -7,-1.4 -0.937 20.4 174.9-114.6 133.5 19.7 8.9 21.0 30 38 A C E -BC 20 43B 0 13,-2.3 13,-3.1 -2,-0.4 2,-0.3 -0.974 30.0-122.8-134.7 149.0 23.4 9.0 21.9 31 39 A S E +BC 19 42B 15 -12,-2.8 -12,-1.7 -2,-0.3 2,-0.3 -0.729 38.8 176.6 -89.1 139.1 26.4 6.8 21.1 32 40 A A E - C 0 41B 0 9,-2.7 9,-3.0 -2,-0.3 2,-0.5 -0.995 33.5-110.6-147.0 152.4 28.2 5.5 24.2 33 41 A Y E -BC 16 40B 80 -17,-3.2 -17,-2.0 -2,-0.3 2,-0.6 -0.728 27.9-141.2 -86.2 120.5 31.1 3.2 25.2 34 42 A D E > -B 15 0B 2 5,-2.4 4,-1.0 -2,-0.5 5,-0.5 -0.737 8.8-163.1 -81.7 118.4 29.9 -0.0 27.0 35 43 A N T 4 S+ 0 0 69 -21,-3.0 -1,-0.1 -2,-0.6 -20,-0.1 0.707 86.0 49.1 -77.3 -20.7 32.4 -0.8 29.8 36 44 A V T 4 S+ 0 0 95 -22,-0.3 -1,-0.1 3,-0.1 -21,-0.0 0.974 124.6 24.9 -80.1 -62.7 31.3 -4.5 30.1 37 45 A N T 4 S- 0 0 109 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.531 99.7-133.9 -81.5 -7.6 31.3 -5.6 26.5 38 46 A K < + 0 0 152 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.842 66.9 111.6 54.7 46.2 34.0 -2.9 25.5 39 47 A V S S- 0 0 81 -5,-0.5 -5,-2.4 -7,-0.1 -1,-0.2 -0.964 73.5-104.2-141.5 148.3 32.1 -1.8 22.4 40 48 A R E -C 33 0B 73 -2,-0.3 57,-0.3 -7,-0.2 2,-0.3 -0.566 43.4-178.2 -77.4 141.9 30.2 1.4 21.4 41 49 A V E -C 32 0B 15 -9,-3.0 -9,-2.7 -2,-0.2 2,-0.5 -0.859 28.9-109.9-132.8 168.5 26.4 1.2 21.5 42 50 A A E -CD 31 95B 8 53,-2.3 53,-3.5 -2,-0.3 2,-0.5 -0.905 29.0-164.5-105.7 127.0 23.3 3.4 20.8 43 51 A I E -CD 30 94B 0 -13,-3.1 -13,-2.3 -2,-0.5 2,-0.7 -0.971 5.0-156.4-115.2 125.6 21.3 4.5 23.9 44 52 A K E -CD 29 93B 31 49,-3.0 49,-2.3 -2,-0.5 2,-0.5 -0.899 7.0-153.2-105.7 108.8 17.8 5.9 23.4 45 53 A K E -CD 28 92B 10 -17,-3.3 -17,-2.0 -2,-0.7 2,-0.4 -0.702 15.4-165.6 -78.6 124.4 16.7 8.1 26.3 46 54 A I E +CD 27 91B 2 45,-3.2 45,-2.4 -2,-0.5 -19,-0.2 -0.950 21.2 179.1-117.3 135.4 12.9 8.1 26.5 47 55 A S + 0 0 48 -21,-2.3 3,-0.2 -2,-0.4 43,-0.1 -0.763 32.3 136.9-128.7 75.5 10.7 10.5 28.5 48 56 A P > + 0 0 0 0, 0.0 3,-1.8 0, 0.0 7,-0.4 0.557 34.2 98.0-105.1 -6.6 7.2 9.3 27.8 49 57 A F T 3 S+ 0 0 24 40,-0.3 285,-0.1 1,-0.3 41,-0.1 0.571 75.4 63.9 -64.8 -12.5 5.3 9.3 31.1 50 58 A E T 3 S+ 0 0 171 -3,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.593 106.1 46.2 -87.4 -9.6 3.5 12.7 30.5 51 59 A H <> - 0 0 108 -3,-1.8 4,-1.4 1,-0.1 -1,-0.1 -0.997 66.3-146.0-137.4 138.8 1.5 11.3 27.5 52 60 A Q H > S+ 0 0 79 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.868 102.1 55.1 -65.1 -42.3 -0.5 8.1 26.9 53 61 A T H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 109.3 46.1 -57.4 -50.9 0.5 7.9 23.2 54 62 A Y H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.814 112.5 51.1 -64.7 -33.6 4.3 8.0 24.0 55 63 A C H X S+ 0 0 0 -4,-1.4 4,-2.5 -7,-0.4 -1,-0.2 0.884 110.6 49.2 -68.7 -41.8 3.8 5.4 26.8 56 64 A Q H X S+ 0 0 14 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.912 112.3 47.2 -63.3 -46.5 1.9 3.1 24.3 57 65 A R H X S+ 0 0 50 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.873 113.7 48.9 -63.2 -41.8 4.7 3.5 21.6 58 66 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.958 114.5 43.6 -61.8 -56.0 7.5 2.8 24.3 59 67 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.883 112.2 52.2 -58.7 -48.9 5.8 -0.4 25.7 60 68 A R H X S+ 0 0 19 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.928 114.0 44.1 -53.8 -50.5 4.8 -1.9 22.3 61 69 A E H X S+ 0 0 1 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.910 113.9 49.1 -61.7 -49.5 8.4 -1.5 21.1 62 70 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.953 114.2 45.3 -57.1 -54.0 10.0 -2.9 24.3 63 71 A K H X S+ 0 0 31 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.869 118.2 43.4 -58.1 -43.6 7.7 -6.0 24.4 64 72 A I H >X S+ 0 0 0 -4,-2.3 4,-1.0 -5,-0.2 3,-0.6 0.938 115.0 46.1 -69.8 -51.9 8.2 -6.7 20.6 65 73 A L H 3< S+ 0 0 3 -4,-3.0 11,-0.5 1,-0.2 -2,-0.2 0.726 107.7 57.2 -69.5 -22.4 12.0 -6.2 20.4 66 74 A L H 3< S+ 0 0 28 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.807 112.2 42.4 -74.9 -28.6 12.7 -8.2 23.6 67 75 A R H << S+ 0 0 123 -4,-0.8 2,-0.3 -3,-0.6 -2,-0.2 0.594 105.0 83.0 -89.8 -15.4 10.9 -11.2 22.0 68 76 A F < + 0 0 18 -4,-1.0 2,-0.3 6,-0.1 62,-0.0 -0.702 47.4 173.6 -96.1 143.1 12.6 -10.6 18.5 69 77 A R + 0 0 233 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.832 25.2 132.4-149.5 100.1 16.1 -11.8 17.5 70 78 A H > - 0 0 19 3,-0.4 3,-1.7 -2,-0.3 56,-0.0 -0.966 57.7-126.2-156.1 139.8 17.1 -11.2 13.9 71 79 A E T 3 S+ 0 0 131 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.722 112.0 47.2 -56.0 -33.2 20.1 -9.7 12.0 72 80 A N T 3 S+ 0 0 5 82,-0.1 83,-2.6 50,-0.1 2,-0.4 0.120 102.5 76.1-101.2 18.5 18.0 -7.2 10.1 73 81 A I B < S-f 155 0C 5 -3,-1.7 -3,-0.4 81,-0.3 83,-0.2 -0.999 86.1-113.8-130.6 132.0 16.0 -6.0 13.2 74 82 A I - 0 0 8 81,-2.9 2,-0.2 -2,-0.4 -6,-0.1 -0.291 36.9-142.9 -61.8 143.5 17.3 -3.6 15.8 75 83 A G - 0 0 15 -4,-0.1 2,-0.5 -6,-0.1 21,-0.4 -0.573 14.0-136.4-106.0 169.7 17.7 -5.2 19.3 76 84 A I + 0 0 14 -11,-0.5 19,-0.2 -2,-0.2 3,-0.1 -0.983 29.7 166.1-122.9 104.8 17.3 -4.2 22.9 77 85 A N + 0 0 104 17,-2.5 2,-0.3 -2,-0.5 18,-0.1 0.650 65.8 5.6 -98.9 -19.0 20.3 -5.6 24.7 78 86 A D E -E 94 0B 12 16,-1.0 16,-3.4 2,-0.0 2,-0.4 -0.973 56.8-152.2-162.1 151.6 19.9 -3.6 28.0 79 87 A I E -E 93 0B 0 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.995 11.6-163.8-132.2 124.4 17.4 -1.2 29.7 80 88 A I E +E 92 0B 42 12,-3.1 12,-3.2 -2,-0.4 2,-0.3 -0.936 26.8 133.9-111.9 132.0 18.5 1.4 32.2 81 89 A R - 0 0 20 -2,-0.4 10,-0.1 10,-0.2 7,-0.1 -0.937 57.5 -66.3-161.7 171.2 16.0 3.1 34.6 82 90 A A - 0 0 25 8,-0.5 6,-0.1 -2,-0.3 263,-0.0 -0.239 46.0-115.8 -63.3 153.5 15.6 4.1 38.3 83 91 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.660 96.1 42.7 -70.0 -14.1 15.2 1.3 40.9 84 92 A T S > S- 0 0 49 1,-0.1 4,-1.3 0, 0.0 -2,-0.1 -0.944 79.3-123.8-132.0 155.0 11.6 2.4 41.8 85 93 A I T 4 S+ 0 0 45 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.875 114.0 56.5 -60.9 -37.6 8.4 3.6 39.9 86 94 A E T 4 S+ 0 0 139 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.906 112.9 39.0 -59.3 -47.5 8.5 6.8 42.0 87 95 A Q T 4 S+ 0 0 119 -3,-0.1 2,-0.8 2,-0.0 -1,-0.2 0.599 91.2 104.9 -80.6 -16.7 12.1 7.6 40.9 88 96 A M < + 0 0 0 -4,-1.3 3,-0.1 -3,-0.3 250,-0.1 -0.592 26.8 145.4 -74.6 104.3 11.6 6.5 37.3 89 97 A K + 0 0 141 -2,-0.8 -40,-0.3 1,-0.2 2,-0.3 0.618 69.0 24.0-107.2 -24.6 11.3 9.7 35.1 90 98 A D - 0 0 33 -3,-0.2 -8,-0.5 -43,-0.1 2,-0.4 -0.898 63.5-142.1-138.8 164.5 13.1 8.3 32.1 91 99 A V E -D 46 0B 0 -45,-2.4 -45,-3.2 -2,-0.3 2,-0.6 -1.000 10.4-157.4-132.0 129.5 13.9 5.0 30.3 92 100 A Y E -DE 45 80B 4 -12,-3.2 -12,-3.1 -2,-0.4 2,-0.5 -0.953 7.5-165.1-111.8 113.2 17.2 4.2 28.6 93 101 A I E -DE 44 79B 0 -49,-2.3 -49,-3.0 -2,-0.6 2,-0.6 -0.912 11.4-145.2-103.7 122.1 17.0 1.5 25.9 94 102 A V E +DE 43 78B 3 -16,-3.4 -17,-2.5 -2,-0.5 -16,-1.0 -0.818 33.9 159.8 -90.7 117.8 20.4 0.1 24.8 95 103 A Q E -D 42 0B 12 -53,-3.5 -53,-2.3 -2,-0.6 -19,-0.2 -0.706 43.2 -58.2-131.0 179.1 20.4 -0.8 21.1 96 104 A D - 0 0 46 -21,-0.4 2,-0.5 -2,-0.2 -55,-0.1 -0.373 46.7-131.8 -64.8 136.6 22.6 -1.5 18.0 97 105 A L - 0 0 52 -57,-0.3 2,-0.4 -2,-0.1 -1,-0.1 -0.836 28.5-178.8 -93.3 122.7 24.9 1.4 17.0 98 106 A M - 0 0 25 -2,-0.5 50,-0.2 1,-0.1 55,-0.0 -0.988 26.9-141.2-127.9 134.7 24.8 2.1 13.2 99 107 A E S S- 0 0 116 -2,-0.4 49,-0.2 47,-0.1 2,-0.2 0.860 77.9 -4.7 -63.4 -43.2 26.8 4.7 11.3 100 108 A T E -G 147 0C 24 47,-2.8 47,-2.9 4,-0.0 2,-0.3 -0.690 59.8-135.9-139.5-171.8 24.1 5.9 8.9 101 109 A D E > -G 146 0C 32 45,-0.3 4,-2.2 -2,-0.2 45,-0.2 -0.924 35.4-102.8-144.5 165.3 20.5 5.3 7.7 102 110 A L H > S+ 0 0 0 43,-2.3 4,-2.5 40,-0.9 41,-0.2 0.787 118.6 58.1 -65.5 -29.6 18.7 5.1 4.3 103 111 A Y H > S+ 0 0 122 39,-1.0 4,-1.2 42,-0.2 -1,-0.2 0.962 110.6 43.0 -62.7 -49.8 17.2 8.7 4.7 104 112 A K H > S+ 0 0 101 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.927 115.4 49.7 -58.5 -50.4 20.8 10.1 5.1 105 113 A L H >X S+ 0 0 15 -4,-2.2 4,-3.4 1,-0.2 3,-0.9 0.891 108.9 50.8 -56.3 -49.7 22.2 8.0 2.2 106 114 A L H 3< S+ 0 0 9 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.738 100.2 65.3 -65.9 -25.5 19.4 8.9 -0.3 107 115 A K H 3< S+ 0 0 132 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.818 127.2 3.4 -63.4 -35.2 19.9 12.7 0.4 108 116 A T H << S+ 0 0 107 -3,-0.9 2,-0.4 -4,-0.7 -2,-0.2 0.564 112.7 80.9-129.2 -19.7 23.5 12.6 -1.1 109 117 A Q < - 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0 0 26 -3,-2.2 16,-0.1 -4,-0.1 5,-0.0 -0.572 63.9-120.8 -77.3 130.8 0.7 5.1 3.4 185 193 A A >> - 0 0 2 -2,-0.3 3,-1.4 14,-0.1 4,-0.6 -0.271 24.6-114.2 -64.5 149.2 -1.1 2.5 1.2 186 194 A P H >> S+ 0 0 0 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.866 113.8 63.2 -57.7 -36.2 -4.0 3.8 -0.9 187 195 A E H 3>>S+ 0 0 5 99,-0.3 4,-2.9 1,-0.2 5,-2.0 0.658 88.5 71.1 -62.1 -20.2 -6.6 1.8 1.1 188 196 A I H <45S+ 0 0 1 -3,-1.4 -13,-0.4 1,-0.2 -1,-0.2 0.917 103.5 40.9 -60.5 -46.1 -5.7 3.8 4.3 189 197 A M H <<5S+ 0 0 0 -3,-0.9 -15,-2.1 -4,-0.6 -1,-0.2 0.610 125.6 38.8 -76.0 -17.1 -7.5 6.9 2.8 190 198 A L H <5S- 0 0 1 -4,-0.6 -2,-0.2 -17,-0.2 60,-0.2 0.891 135.5 -33.9-102.5 -56.8 -10.3 4.7 1.5 191 199 A N T <5S+ 0 0 17 -4,-2.9 -20,-1.0 -18,-0.1 2,-0.4 0.214 96.1 103.6-160.3 22.5 -11.4 1.9 3.9 192 200 A S B < -J 170 0E 3 -5,-2.0 -22,-0.2 -22,-0.2 -17,-0.1 -0.935 44.3-164.0-125.5 143.8 -8.4 0.4 5.9 193 201 A K - 0 0 76 -24,-2.1 -23,-0.1 -2,-0.4 -1,-0.1 0.393 56.3-110.4 -92.7 -5.1 -7.1 0.7 9.5 194 202 A G S S+ 0 0 0 -25,-0.3 -25,-0.1 -28,-0.1 -24,-0.1 0.849 76.5 135.3 74.1 39.8 -3.8 -0.7 8.4 195 203 A Y + 0 0 35 -30,-0.2 -30,-2.8 -26,-0.1 2,-0.3 0.175 48.7 82.7-102.7 14.4 -4.3 -4.0 10.3 196 204 A T S > S- 0 0 25 -32,-0.2 3,-1.8 -31,-0.1 4,-0.4 -0.887 83.6-120.1-120.7 153.9 -3.0 -6.3 7.4 197 205 A K T >> S+ 0 0 73 -2,-0.3 4,-1.1 1,-0.3 3,-1.0 0.729 105.8 75.3 -58.9 -26.7 0.5 -7.4 6.3 198 206 A S H 3> S+ 0 0 22 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.665 83.6 64.2 -63.7 -21.3 -0.2 -5.7 2.9 199 207 A I H <> S+ 0 0 7 -3,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.827 102.6 49.0 -73.0 -30.7 0.3 -2.1 4.4 200 208 A D H <> S+ 0 0 0 -3,-1.0 4,-2.1 -4,-0.4 -2,-0.2 0.865 107.5 54.2 -72.2 -39.1 4.0 -2.9 5.1 201 209 A I H X S+ 0 0 2 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.895 106.3 53.1 -62.4 -41.2 4.6 -4.3 1.6 202 210 A W H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.929 108.6 49.2 -58.2 -48.8 3.2 -1.0 0.2 203 211 A S H X S+ 0 0 8 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.878 110.3 50.7 -58.4 -40.8 5.7 1.0 2.3 204 212 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.895 108.4 53.5 -64.3 -41.1 8.6 -1.3 1.1 205 213 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.898 109.0 47.9 -57.8 -44.2 7.4 -0.6 -2.5 206 214 A C H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 11,-0.4 0.890 111.5 50.8 -64.1 -40.2 7.6 3.2 -1.8 207 215 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.917 110.0 49.8 -64.3 -44.6 11.2 2.7 -0.3 208 216 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.928 111.4 48.1 -58.8 -48.9 12.2 0.7 -3.5 209 217 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 6,-0.2 0.869 111.3 51.7 -60.1 -37.8 10.9 3.5 -5.8 210 218 A E H X>S+ 0 0 13 -4,-2.1 4,-2.5 1,-0.2 5,-0.6 0.858 106.5 53.1 -66.7 -38.8 12.8 6.0 -3.6 211 219 A M H <5S+ 0 0 1 -4,-2.1 -100,-0.4 1,-0.2 -1,-0.2 0.799 106.7 54.5 -65.9 -31.1 16.1 4.1 -3.9 212 220 A L H <5S+ 0 0 32 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.773 127.3 15.7 -73.9 -31.4 15.8 4.1 -7.7 213 221 A S H <5S- 0 0 43 -4,-1.0 -2,-0.2 -3,-0.3 -3,-0.1 0.472 94.7-120.9-124.8 -4.8 15.4 7.9 -8.1 214 222 A N T <5S+ 0 0 54 -4,-2.5 -3,-0.2 1,-0.2 -4,-0.1 0.801 85.8 88.8 63.2 34.0 16.6 9.4 -4.7 215 223 A R S S- 0 0 108 1,-0.1 4,-1.2 -41,-0.0 -1,-0.2 -0.944 94.1 -74.5-162.8 170.5 -1.7 16.5 3.0 223 231 A Y H >> S+ 0 0 36 -2,-0.3 3,-0.7 1,-0.2 4,-0.5 0.822 124.8 29.9 -39.0 -69.3 -4.1 13.6 3.8 224 232 A L H >> S+ 0 0 44 1,-0.2 4,-1.6 2,-0.2 3,-0.7 0.807 110.5 67.8 -72.2 -27.6 -6.2 13.3 0.6 225 233 A D H 3> S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.773 92.0 64.5 -59.1 -28.3 -3.3 14.6 -1.7 226 234 A Q H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 3,-0.8 0.914 113.7 45.9 -64.1 -46.3 -0.8 7.3 -5.9 231 239 A L H 3X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.761 102.4 67.6 -70.4 -25.9 -3.7 7.5 -8.5 232 240 A G H 3< S+ 0 0 34 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.773 116.1 24.5 -61.6 -31.0 -1.5 9.9 -10.6 233 241 A I H << S+ 0 0 22 -3,-0.8 30,-3.2 -4,-0.7 -2,-0.2 0.821 126.6 45.1-102.2 -47.6 1.0 7.1 -11.3 234 242 A L H < S- 0 0 24 -4,-2.6 28,-0.2 28,-0.2 -3,-0.2 0.767 101.3-143.9 -68.5 -28.0 -1.1 3.9 -10.9 235 243 A G < - 0 0 4 -4,-1.7 26,-0.2 -5,-0.3 -1,-0.2 -0.288 44.8 -22.1 87.6-176.7 -4.0 5.3 -12.9 236 244 A S S S- 0 0 43 24,-3.1 26,-0.1 1,-0.1 23,-0.1 -0.416 76.5-107.6 -64.9 133.1 -7.7 4.8 -12.4 237 245 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 -0.353 38.7-108.2 -61.5 144.7 -8.6 1.6 -10.4 238 246 A S > - 0 0 56 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.199 27.4-105.7 -66.9 163.8 -10.1 -1.2 -12.5 239 247 A Q H > S+ 0 0 151 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.902 123.2 53.6 -56.3 -43.0 -13.9 -2.2 -12.2 240 248 A E H > S+ 0 0 125 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.904 110.4 44.6 -57.5 -50.8 -12.7 -5.3 -10.3 241 249 A D H 4 S+ 0 0 18 1,-0.2 4,-0.4 2,-0.2 3,-0.2 0.820 113.3 51.9 -66.5 -33.2 -10.6 -3.3 -7.7 242 250 A L H >< S+ 0 0 22 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.868 103.0 58.1 -69.3 -38.7 -13.5 -0.8 -7.3 243 251 A N H 3< S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.753 98.0 61.3 -63.7 -26.2 -16.0 -3.6 -6.6 244 252 A C T 3< S+ 0 0 57 -4,-0.9 2,-1.0 -3,-0.2 -1,-0.3 0.680 89.4 77.3 -72.6 -21.3 -13.8 -4.7 -3.6 245 253 A I < + 0 0 9 -3,-1.3 -1,-0.1 -4,-0.4 6,-0.1 -0.815 56.0 169.1 -93.8 95.7 -14.5 -1.2 -2.0 246 254 A I + 0 0 137 -2,-1.0 -1,-0.2 -55,-0.1 2,-0.1 0.770 45.7 103.2 -78.6 -30.6 -18.0 -1.6 -0.7 247 255 A N > - 0 0 61 1,-0.1 4,-2.4 -76,-0.1 5,-0.1 -0.406 66.5-150.0 -58.9 119.7 -17.9 1.7 1.3 248 256 A L H > S+ 0 0 117 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.868 91.3 52.8 -64.6 -41.9 -20.0 4.1 -0.8 249 257 A K H > S+ 0 0 160 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.901 114.3 43.7 -62.2 -39.9 -18.2 7.3 0.1 250 258 A A H > S+ 0 0 0 2,-0.2 4,-1.7 -60,-0.2 -2,-0.2 0.927 117.5 45.1 -69.6 -45.6 -14.8 5.8 -0.8 251 259 A R H X S+ 0 0 62 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.906 114.0 48.3 -65.2 -45.9 -16.2 4.2 -4.1 252 260 A N H X S+ 0 0 88 -4,-3.2 4,-1.4 2,-0.2 -1,-0.2 0.810 107.8 56.3 -67.9 -29.1 -18.1 7.3 -5.2 253 261 A Y H X S+ 0 0 42 -4,-1.5 4,-0.6 -5,-0.3 3,-0.4 0.946 110.5 44.0 -64.3 -46.8 -15.0 9.5 -4.5 254 262 A L H >< S+ 0 0 11 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.862 112.7 52.7 -64.2 -36.1 -12.9 7.2 -6.9 255 263 A L H 3< S+ 0 0 103 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.736 102.0 60.4 -70.3 -27.0 -15.8 7.2 -9.5 256 264 A S H 3< S+ 0 0 87 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.626 87.7 92.6 -75.0 -19.6 -16.0 11.1 -9.4 257 265 A L S << S- 0 0 38 -3,-0.7 3,-0.1 -4,-0.6 -3,-0.0 -0.536 84.9-108.4 -79.0 142.2 -12.3 11.4 -10.7 258 266 A P - 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