==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 04-MAY-10 3MVM . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.SACK . 667 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 44 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 3 0 1 1 1 2 0 2 0 2 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 4 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 230 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.4 -26.5 6.3 51.6 2 5 A R - 0 0 70 1,-0.1 3,-0.1 85,-0.0 85,-0.0 -0.347 360.0-133.3 -57.5 119.3 -25.6 4.3 48.4 3 6 A P - 0 0 68 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.235 32.0 -90.5 -66.1 169.4 -25.0 6.8 45.6 4 7 A T - 0 0 97 1,-0.0 15,-2.6 0, 0.0 2,-0.3 -0.744 43.1-150.5 -85.5 130.7 -26.6 6.2 42.2 5 8 A F E -A 18 0A 26 -2,-0.5 2,-0.3 13,-0.3 11,-0.0 -0.691 6.7-159.2 -98.2 149.1 -24.5 4.1 39.9 6 9 A Y E -A 17 0A 47 11,-2.2 11,-1.7 -2,-0.3 2,-0.3 -0.952 10.0-138.2-128.2 149.0 -24.5 4.3 36.1 7 10 A R E +A 16 0A 154 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.841 26.2 159.0-111.8 144.2 -23.4 1.6 33.6 8 11 A Q E -A 15 0A 51 7,-2.0 7,-3.3 -2,-0.3 2,-0.5 -0.973 33.9-124.5-155.4 160.6 -21.4 2.0 30.4 9 12 A E E +A 14 0A 109 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.965 26.1 177.9-115.6 118.2 -19.2 -0.1 28.0 10 13 A L E > S-A 13 0A 26 3,-2.4 3,-1.5 -2,-0.5 -2,-0.0 -0.994 73.7 -18.9-123.2 118.3 -15.7 1.2 27.3 11 14 A N T 3 S- 0 0 133 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.874 128.3 -50.9 50.6 48.1 -13.4 -0.9 25.0 12 15 A K T 3 S+ 0 0 183 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.474 117.0 109.0 69.5 11.7 -15.5 -4.1 25.6 13 16 A T E < -A 10 0A 36 -3,-1.5 -3,-2.4 2,-0.0 2,-0.5 -0.940 67.7-126.8-117.9 135.7 -15.5 -3.8 29.5 14 17 A I E -A 9 0A 79 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.701 22.4-164.8 -83.0 123.3 -18.5 -2.8 31.6 15 18 A W E -A 8 0A 1 -7,-3.3 -7,-2.0 -2,-0.5 2,-0.5 -0.936 7.6-177.1-109.6 125.7 -17.8 0.1 34.0 16 19 A E E +A 7 0A 69 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.921 21.2 155.0-125.2 103.7 -20.4 0.7 36.8 17 20 A V E -A 6 0A 0 -11,-1.7 -11,-2.2 -2,-0.5 -2,-0.0 -0.897 48.4 -86.0-128.7 156.4 -19.5 3.8 38.8 18 21 A P E > -A 5 0A 6 0, 0.0 3,-1.8 0, 0.0 -13,-0.3 -0.272 42.6-115.3 -56.8 150.3 -21.3 6.5 41.0 19 22 A E T 3 S+ 0 0 99 -15,-2.6 -14,-0.1 1,-0.3 18,-0.1 0.719 110.1 81.2 -59.9 -21.4 -22.8 9.4 39.0 20 23 A R T 3 S+ 0 0 72 -16,-0.2 17,-2.9 16,-0.1 2,-0.6 0.782 83.1 68.9 -49.2 -37.7 -20.2 11.6 40.9 21 24 A Y E < S+B 36 0B 0 -3,-1.8 2,-0.3 15,-0.2 3,-0.2 -0.834 74.8 179.8 -95.6 111.8 -17.6 10.4 38.3 22 25 A Q E +B 35 0B 57 13,-2.6 13,-3.0 -2,-0.6 -2,-0.0 -0.748 48.0 21.1-112.7 160.2 -18.4 11.8 34.8 23 26 A N E S- 0 0 125 -2,-0.3 -1,-0.2 11,-0.2 2,-0.1 0.883 71.9-157.7 53.3 52.4 -16.9 11.6 31.3 24 27 A L E - 0 0 13 -3,-0.2 10,-0.2 10,-0.1 -1,-0.2 -0.380 14.3-179.2 -60.6 127.9 -14.9 8.4 31.7 25 28 A S E -B 33 0B 67 8,-2.4 8,-3.1 -2,-0.1 -15,-0.0 -0.984 30.0-112.4-135.0 124.6 -12.1 8.2 29.1 26 29 A P E B 32 0B 53 0, 0.0 6,-0.3 0, 0.0 -15,-0.0 -0.221 360.0 360.0 -57.7 138.3 -9.6 5.3 28.8 27 30 A V 0 0 124 4,-2.8 4,-0.4 0, 0.0 17,-0.0 -0.927 360.0 360.0-112.8 360.0 -6.0 6.1 29.7 28 ! 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 29 36 A G 0 0 72 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 156.7 -6.9 -3.5 35.8 30 37 A S E - C 0 47B 51 17,-2.0 17,-2.7 2,-0.0 2,-0.4 -0.859 360.0-145.6-108.9 142.5 -8.1 -0.9 33.3 31 38 A V E - C 0 46B 48 -4,-0.4 -4,-2.8 -2,-0.3 2,-0.4 -0.951 14.7-176.7-118.6 134.6 -7.7 2.8 34.0 32 39 A C E -BC 26 45B 2 13,-2.5 13,-3.1 -2,-0.4 2,-0.3 -0.970 23.0-134.2-124.6 142.0 -10.1 5.7 33.0 33 40 A A E +BC 25 44B 5 -8,-3.1 -8,-2.4 -2,-0.4 2,-0.3 -0.648 36.9 175.8 -86.7 145.7 -9.6 9.5 33.5 34 41 A A E - C 0 43B 2 9,-2.1 9,-2.9 -2,-0.3 2,-0.6 -0.957 34.6-111.9-146.4 166.7 -12.9 11.0 34.9 35 42 A F E -BC 22 42B 77 -13,-3.0 -13,-2.6 -2,-0.3 2,-0.9 -0.934 26.8-141.4-104.6 118.6 -14.3 14.3 36.1 36 43 A D E >>> -BC 21 41B 2 5,-2.8 4,-2.4 -2,-0.6 3,-1.0 -0.774 9.5-162.9 -85.4 108.5 -15.1 14.2 39.9 37 44 A T T 345S+ 0 0 87 -17,-2.9 -1,-0.1 -2,-0.9 -16,-0.1 0.594 85.0 60.5 -66.0 -20.7 -18.3 16.3 40.2 38 45 A K T 345S+ 0 0 150 -18,-0.2 -1,-0.2 3,-0.1 -17,-0.1 0.666 122.9 16.5 -80.9 -27.0 -17.7 16.7 44.0 39 46 A T T <45S- 0 0 71 -3,-1.0 -2,-0.2 2,-0.2 3,-0.1 0.520 93.0-124.4-124.4 -14.7 -14.4 18.5 43.7 40 47 A G T <5S+ 0 0 42 -4,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.583 72.7 122.9 74.0 10.5 -14.2 19.7 40.1 41 48 A L E < -C 36 0B 92 -5,-0.6 -5,-2.8 1,-0.0 -1,-0.3 -0.669 67.2-109.9-102.5 157.2 -10.8 17.9 39.8 42 49 A R E -C 35 0B 153 -2,-0.2 59,-1.7 -7,-0.2 2,-0.3 -0.624 38.4-166.7 -84.1 144.6 -9.9 15.1 37.3 43 50 A V E -CD 34 100B 1 -9,-2.9 -9,-2.1 -2,-0.3 2,-0.5 -0.907 22.6-128.8-130.0 159.5 -9.4 11.7 38.7 44 51 A A E -CD 33 99B 15 55,-3.1 55,-2.2 -2,-0.3 2,-0.5 -0.952 24.5-165.8-107.9 127.2 -8.0 8.3 37.7 45 52 A V E -CD 32 98B 0 -13,-3.1 -13,-2.5 -2,-0.5 2,-0.5 -0.976 1.3-163.9-113.6 119.8 -10.4 5.4 38.2 46 53 A K E -CD 31 97B 38 51,-3.3 51,-2.6 -2,-0.5 2,-0.7 -0.928 5.7-159.0-105.8 125.1 -9.0 1.8 38.1 47 54 A K E -CD 30 96B 27 -17,-2.7 -17,-2.0 -2,-0.5 49,-0.2 -0.927 25.5-127.9 -99.0 116.3 -11.4 -1.1 37.6 48 55 A L - 0 0 16 47,-2.3 2,-0.6 -2,-0.7 47,-0.3 -0.376 21.0-119.2 -64.7 138.4 -9.5 -4.2 38.9 49 56 A S S S- 0 0 67 1,-0.2 -1,-0.1 2,-0.1 45,-0.0 -0.744 80.5 -30.2 -83.9 119.7 -9.5 -7.1 36.3 50 57 A R S > S- 0 0 155 -2,-0.6 3,-1.6 1,-0.1 -1,-0.2 0.908 77.1-173.7 43.0 56.4 -11.3 -10.3 37.7 51 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.780 76.5 29.0 -55.9 -28.1 -10.2 -9.4 41.3 52 59 A F T 3 S+ 0 0 16 41,-0.4 -2,-0.1 1,-0.1 271,-0.1 -0.030 90.1 98.3-123.0 31.5 -11.5 -12.6 42.9 53 60 A Q S < S+ 0 0 128 -3,-1.6 2,-0.3 1,-0.1 -1,-0.1 0.371 90.6 25.2-100.1 4.0 -11.2 -15.1 40.1 54 61 A S S > S- 0 0 43 -4,-0.2 4,-2.9 -3,-0.2 5,-0.2 -0.961 78.4-116.7-155.8 156.4 -7.9 -16.6 41.3 55 62 A I H > S+ 0 0 78 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.900 118.0 53.7 -62.2 -38.8 -6.1 -16.8 44.6 56 63 A I H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.947 113.7 40.8 -60.4 -51.5 -3.3 -14.6 43.1 57 64 A H H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.914 113.8 53.4 -61.5 -47.6 -5.8 -11.9 42.1 58 65 A A H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.907 113.8 41.4 -58.0 -44.6 -7.8 -12.2 45.3 59 66 A K H X S+ 0 0 33 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.863 114.0 52.7 -71.1 -37.4 -4.7 -11.7 47.6 60 67 A R H X S+ 0 0 108 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.851 107.7 53.0 -65.5 -35.0 -3.3 -8.9 45.3 61 68 A T H X S+ 0 0 10 -4,-2.4 4,-1.8 -10,-0.4 -2,-0.2 0.939 112.6 43.3 -63.4 -49.4 -6.7 -7.1 45.5 62 69 A Y H X S+ 0 0 10 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.927 113.3 52.6 -61.4 -46.5 -6.5 -7.2 49.4 63 70 A R H X S+ 0 0 23 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.901 107.7 51.7 -55.8 -48.1 -2.8 -6.3 49.3 64 71 A E H X S+ 0 0 18 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.914 112.4 45.0 -57.4 -48.2 -3.5 -3.2 47.1 65 72 A L H X S+ 0 0 4 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.904 113.6 49.3 -65.4 -42.2 -6.2 -1.9 49.4 66 73 A R H X S+ 0 0 22 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.918 114.1 46.3 -64.8 -41.2 -4.1 -2.6 52.6 67 74 A L H >X S+ 0 0 5 -4,-2.9 4,-1.8 1,-0.2 3,-0.6 0.964 115.0 46.5 -64.3 -50.6 -1.0 -0.7 51.0 68 75 A L H 3< S+ 0 0 18 -4,-2.7 11,-0.6 1,-0.2 -1,-0.2 0.788 112.9 48.4 -61.4 -35.9 -3.1 2.3 49.8 69 76 A K H 3< S+ 0 0 40 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.695 118.5 40.6 -78.7 -21.1 -5.0 2.7 53.1 70 77 A H H << S+ 0 0 60 -4,-1.1 2,-0.6 -3,-0.6 236,-0.3 0.651 98.3 81.7-102.3 -14.2 -1.7 2.5 55.2 71 78 A M < + 0 0 1 -4,-1.8 2,-0.4 -5,-0.1 -1,-0.1 -0.830 45.9 166.0-104.6 110.8 0.7 4.6 53.0 72 79 A K + 0 0 151 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.973 21.3 123.8-126.1 113.7 0.6 8.5 53.3 73 80 A H > - 0 0 18 3,-0.5 3,-1.5 -2,-0.4 57,-0.0 -0.930 62.9-114.8-166.0 146.1 3.5 10.5 51.8 74 81 A E T 3 S+ 0 0 101 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.688 115.4 45.4 -60.3 -29.1 3.9 13.4 49.2 75 82 A N T 3 S+ 0 0 8 83,-0.1 84,-2.0 2,-0.1 2,-0.4 0.211 102.2 76.4-103.9 16.1 5.8 11.2 46.7 76 83 A V B < S-f 159 0C 3 -3,-1.5 -3,-0.5 82,-0.3 84,-0.2 -0.993 90.1-107.2-125.6 130.0 3.5 8.2 47.0 77 84 A I - 0 0 9 82,-2.6 2,-0.3 -2,-0.4 -6,-0.1 -0.251 36.4-146.4 -56.8 141.4 0.0 8.0 45.2 78 85 A G - 0 0 35 -4,-0.1 2,-0.5 -6,-0.1 22,-0.4 -0.852 13.0-114.2-112.3 150.3 -2.9 8.3 47.7 79 86 A L + 0 0 11 -11,-0.6 20,-0.2 -2,-0.3 3,-0.1 -0.676 28.3 175.8 -82.4 123.5 -6.4 6.7 47.6 80 87 A L - 0 0 34 18,-3.2 2,-0.3 -2,-0.5 19,-0.2 0.791 68.9 -6.4 -92.3 -36.0 -9.2 9.1 47.2 81 88 A D E -E 98 0B 24 17,-1.5 17,-3.1 254,-0.1 -1,-0.4 -0.989 48.7-165.3-159.8 150.3 -12.0 6.5 46.9 82 89 A V E +E 97 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.980 27.7 162.4-137.9 131.1 -12.7 2.8 46.7 83 90 A F E -E 96 0B 14 13,-2.0 13,-2.3 -2,-0.3 -2,-0.0 -0.981 25.1-161.5-149.7 163.7 -16.2 1.5 45.7 84 91 A T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 -67,-0.1 -0.990 25.6-137.0-141.6 141.0 -18.2 -1.4 44.4 85 92 A P S S+ 0 0 13 0, 0.0 -80,-0.1 0, 0.0 7,-0.1 0.708 77.0 111.2 -69.2 -13.0 -21.6 -1.5 42.8 86 93 A A - 0 0 13 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.276 54.3-163.9 -61.4 137.2 -22.3 -4.5 45.1 87 94 A R S S+ 0 0 170 1,-0.1 2,-0.3 -85,-0.0 -1,-0.1 0.549 74.7 20.8-100.4 -7.9 -24.9 -4.0 47.9 88 95 A S S S- 0 0 34 1,-0.1 4,-0.4 0, 0.0 3,-0.4 -0.958 83.1-103.4-150.9 166.6 -23.7 -7.1 49.8 89 96 A L S > S+ 0 0 66 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.833 116.7 60.3 -59.2 -39.1 -20.7 -9.5 50.2 90 97 A E T 3 S+ 0 0 173 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.880 111.3 38.5 -60.5 -40.3 -22.6 -12.2 48.1 91 98 A E T 3 S+ 0 0 98 -3,-0.4 2,-0.9 -6,-0.0 -1,-0.2 0.386 86.5 122.1 -91.9 6.0 -22.7 -9.9 45.0 92 99 A F < + 0 0 0 -3,-1.0 3,-0.1 -4,-0.4 235,-0.1 -0.552 21.4 123.8 -74.7 99.6 -19.2 -8.4 45.6 93 100 A N + 0 0 84 -2,-0.9 -41,-0.4 1,-0.2 2,-0.4 0.425 58.5 60.9-134.1 -10.7 -17.2 -9.2 42.4 94 101 A D - 0 0 55 -3,-0.2 2,-0.4 -44,-0.1 -8,-0.3 -0.974 54.0-174.1-128.4 141.9 -16.0 -5.8 41.3 95 102 A V - 0 0 3 -2,-0.4 -47,-2.3 -47,-0.3 2,-0.4 -0.999 3.4-167.1-139.9 132.2 -13.7 -3.2 42.9 96 103 A Y E -DE 47 83B 2 -13,-2.3 -13,-2.0 -2,-0.4 2,-0.4 -0.955 4.2-160.7-121.4 141.2 -12.8 0.3 41.7 97 104 A L E -DE 46 82B 8 -51,-2.6 -51,-3.3 -2,-0.4 2,-0.4 -0.980 5.2-158.2-125.7 138.1 -10.0 2.5 43.0 98 105 A V E +DE 45 81B 0 -17,-3.1 -18,-3.2 -2,-0.4 -17,-1.5 -0.951 17.5 160.6-123.0 133.6 -9.8 6.3 42.6 99 106 A T E -D 44 0B 28 -55,-2.2 -55,-3.1 -2,-0.4 -20,-0.1 -0.836 50.0 -75.7-133.4 172.6 -6.7 8.6 42.8 100 107 A H E -D 43 0B 87 -22,-0.4 2,-0.4 -2,-0.3 -57,-0.3 -0.407 48.3-119.8 -66.2 145.5 -5.9 12.1 41.6 101 108 A L - 0 0 53 -59,-1.7 -59,-0.2 -67,-0.1 2,-0.2 -0.810 32.1-148.5 -87.2 131.4 -5.2 12.2 37.8 102 109 A M - 0 0 39 -2,-0.4 50,-0.2 50,-0.1 3,-0.1 -0.515 22.2-109.7 -94.9 169.1 -1.6 13.5 37.2 103 110 A G S S- 0 0 59 1,-0.2 2,-0.3 -2,-0.2 49,-0.2 0.863 85.4 -32.3 -64.7 -42.6 -0.3 15.6 34.3 104 111 A A E -G 151 0C 27 47,-1.7 47,-3.6 4,-0.0 2,-0.3 -0.967 57.5-101.5-171.4 163.6 1.8 12.8 32.7 105 112 A D E > -G 150 0C 39 -2,-0.3 4,-1.1 45,-0.3 3,-0.4 -0.759 43.3-108.5 -96.1 145.3 3.9 9.7 33.4 106 113 A L H > S+ 0 0 1 43,-3.0 4,-2.0 40,-0.7 41,-0.2 0.707 112.1 67.2 -41.5 -33.5 7.8 10.0 33.3 107 114 A N H >> S+ 0 0 61 39,-0.4 4,-2.2 2,-0.2 3,-0.7 0.966 100.7 42.3 -54.3 -68.0 7.9 8.1 29.9 108 115 A N H 34 S+ 0 0 91 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.764 116.7 50.7 -50.9 -35.7 6.1 10.6 27.6 109 116 A I H 3< S+ 0 0 71 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.862 118.8 37.1 -69.6 -41.7 8.1 13.5 29.3 110 117 A V H X< S+ 0 0 7 -4,-2.0 3,-3.8 -3,-0.7 -2,-0.2 0.634 71.8 144.3 -91.7 -18.3 11.4 11.7 28.8 111 118 A K T 3< S- 0 0 129 -4,-2.2 94,-0.1 1,-0.3 -3,-0.0 0.044 97.0 -30.5 -29.5 98.4 11.0 10.0 25.3 112 119 A C T 3 S+ 0 0 114 1,-0.2 2,-0.4 92,-0.1 -1,-0.3 0.728 103.1 151.7 45.2 39.9 14.6 10.4 24.0 113 120 A Q < - 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0 0 36 -2,-0.3 -9,-0.1 1,-0.1 -33,-0.0 -0.438 29.1-145.3 -65.4 131.9 14.4 0.1 65.4 543 222 B L S S+ 0 0 23 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.945 87.5 15.5 -68.4 -47.2 11.4 0.8 67.6 544 223 B F + 0 0 0 -36,-0.3 2,-2.1 2,-0.1 -1,-0.2 -0.646 66.0 176.7-129.4 79.4 11.9 4.6 67.7 545 224 B P + 0 0 37 0, 0.0 -37,-0.1 0, 0.0 -241,-0.1 -0.313 18.6 176.7 -81.1 61.4 14.3 5.9 65.0 546 225 B G - 0 0 2 -2,-2.1 -39,-0.2 1,-0.1 -38,-0.1 -0.262 27.1-151.7 -61.7 148.4 13.9 9.6 65.9 547 226 B T S S+ 0 0 77 1,-0.2 2,-0.3 -41,-0.1 -1,-0.1 0.622 78.9 3.7 -95.0 -19.6 16.1 12.1 63.9 548 227 B D S > S- 0 0 60 -41,-0.0 4,-2.6 -248,-0.0 -1,-0.2 -0.916 91.9 -84.7-154.8 168.6 16.2 14.7 66.7 549 228 B H H > S+ 0 0 98 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.820 124.7 45.2 -48.5 -46.9 15.0 15.0 70.3 550 229 B I H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.869 113.2 48.1 -72.8 -37.0 11.5 16.2 69.4 551 230 B D H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.940 108.9 57.3 -65.6 -42.2 10.9 13.7 66.6 552 231 B Q H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.896 107.9 46.8 -51.1 -50.3 12.1 11.0 69.1 553 232 B L H X S+ 0 0 5 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.850 108.5 53.3 -61.8 -43.8 9.4 12.0 71.6 554 233 B K H X S+ 0 0 92 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.909 110.1 49.2 -61.6 -41.6 6.6 12.0 69.0 555 234 B L H X S+ 0 0 9 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.924 111.5 49.1 -64.8 -43.4 7.6 8.4 67.9 556 235 B I H >X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 3,-1.0 0.939 112.0 47.4 -59.3 -50.3 7.6 7.3 71.6 557 236 B L H 3X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.807 101.0 66.8 -65.8 -23.9 4.2 8.9 72.3 558 237 B R H 3< S+ 0 0 62 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.847 114.8 29.6 -63.4 -33.0 2.8 7.3 69.0 559 238 B L H << S+ 0 0 4 -4,-1.0 30,-3.0 -3,-1.0 -2,-0.2 0.915 129.3 34.1 -91.7 -54.3 3.2 3.9 70.8 560 239 B V H < S- 0 0 19 -4,-2.4 28,-0.3 28,-0.2 -3,-0.2 0.554 108.1-124.8 -82.7 -10.3 2.8 4.4 74.5 561 240 B G < - 0 0 3 -4,-1.8 -3,-0.1 26,-0.4 -1,-0.1 0.229 37.8 -56.5 80.6 157.3 0.2 7.2 74.1 562 241 B T S S- 0 0 19 24,-1.9 26,-0.1 1,-0.1 23,-0.0 -0.346 78.1 -81.8 -62.7 144.1 0.2 10.8 75.4 563 242 B P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.238 49.1-122.2 -55.0 141.5 0.6 10.8 79.3 564 243 B G > - 0 0 47 -3,-0.1 4,-2.5 1,-0.1 3,-0.3 -0.175 31.8 -92.3 -72.6 173.5 -2.6 10.3 81.2 565 244 B A H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.869 125.4 54.4 -54.0 -43.4 -4.1 12.7 83.7 566 245 B E H 4 S+ 0 0 125 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.857 113.3 40.4 -61.1 -44.0 -2.3 10.9 86.6 567 246 B L H >4 S+ 0 0 16 -3,-0.3 3,-1.9 1,-0.2 4,-0.3 0.870 108.7 58.8 -75.6 -41.4 1.1 11.2 85.0 568 247 B L H >< S+ 0 0 48 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.862 97.7 62.3 -57.0 -33.4 0.7 14.8 83.8 569 248 B K T 3< S+ 0 0 183 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.633 100.5 56.5 -63.7 -18.7 0.1 15.9 87.4 570 249 B K T < S+ 0 0 79 -3,-1.9 2,-0.7 -4,-0.2 -1,-0.3 0.459 80.2 103.4 -93.8 -7.5 3.7 14.7 88.2 571 250 B I < + 0 0 8 -3,-1.6 -53,-0.1 -4,-0.3 6,-0.0 -0.734 37.5 174.2 -86.2 116.5 5.5 16.9 85.6 572 251 B S + 0 0 89 -2,-0.7 2,-0.4 -53,-0.0 -1,-0.2 0.810 52.6 96.5 -84.1 -35.4 7.3 19.9 87.1 573 252 B S > - 0 0 30 1,-0.2 4,-2.4 -56,-0.1 5,-0.2 -0.433 55.3-163.8 -64.6 116.3 9.1 21.0 83.9 574 253 B E H > S+ 0 0 127 -2,-0.4 4,-2.9 2,-0.2 5,-0.2 0.875 92.9 54.2 -65.7 -38.4 7.1 23.8 82.1 575 254 B S H > S+ 0 0 96 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.926 111.6 43.8 -59.9 -49.1 9.1 23.1 78.9 576 255 B A H > S+ 0 0 3 -60,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.867 114.9 49.2 -62.8 -43.9 8.2 19.4 78.9 577 256 B R H X S+ 0 0 53 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.928 109.8 51.7 -65.4 -42.8 4.5 20.2 79.7 578 257 B N H X S+ 0 0 101 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.846 110.5 48.6 -58.7 -38.7 4.3 22.7 76.9 579 258 B Y H X S+ 0 0 46 -4,-1.6 4,-0.6 2,-0.2 3,-0.4 0.952 112.6 46.5 -68.8 -47.2 5.7 20.2 74.4 580 259 B I H >< S+ 0 0 2 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.951 112.2 51.3 -57.4 -48.6 3.3 17.4 75.4 581 260 B Q H 3< S+ 0 0 127 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.754 101.8 61.8 -61.6 -25.9 0.3 19.9 75.4 582 261 B S H 3< S+ 0 0 89 -4,-1.3 2,-0.3 -3,-0.4 -1,-0.3 0.633 92.9 87.9 -74.6 -14.9 1.3 21.0 71.8 583 262 B L S << S- 0 0 31 -3,-1.7 2,-0.1 -4,-0.6 3,-0.1 -0.659 86.6-111.8 -91.3 146.1 0.7 17.4 70.5 584 263 B T - 0 0 101 -2,-0.3 -22,-0.1 1,-0.1 -1,-0.1 -0.439 52.2 -91.3 -66.5 135.8 -2.5 15.9 69.3 585 264 B Q - 0 0 145 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.332 44.8-159.2 -56.1 129.7 -3.7 13.3 71.9 586 265 B M - 0 0 65 -3,-0.1 -24,-1.9 -23,-0.1 2,-0.1 -0.970 11.0-132.3-114.0 129.9 -2.4 9.8 71.0 587 266 B P - 0 0 104 0, 0.0 -26,-0.4 0, 0.0 2,-0.2 -0.493 31.7-101.1 -76.4 152.5 -4.0 6.7 72.3 588 267 B K - 0 0 110 -28,-0.3 -28,-0.2 -2,-0.1 2,-0.2 -0.513 41.9-125.0 -68.6 131.0 -1.8 3.9 73.8 589 268 B M - 0 0 68 -30,-3.0 2,-0.6 -2,-0.2 -1,-0.1 -0.577 17.0-112.6 -82.3 146.9 -1.3 1.1 71.3 590 269 B N >> - 0 0 88 -2,-0.2 4,-1.1 1,-0.2 3,-0.8 -0.717 25.5-151.8 -74.2 114.9 -2.1 -2.5 72.0 591 270 B F H 3> S+ 0 0 2 -2,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.839 91.7 66.9 -63.6 -32.6 1.4 -4.1 72.0 592 271 B A H 34 S+ 0 0 51 1,-0.2 5,-0.3 2,-0.2 -1,-0.2 0.856 104.7 46.6 -55.7 -29.5 0.0 -7.5 70.9 593 272 B N H <4 S+ 0 0 98 -3,-0.8 3,-0.5 1,-0.1 -1,-0.2 0.827 112.2 48.1 -80.2 -36.7 -0.9 -5.7 67.6 594 273 B V H < S+ 0 0 20 -4,-1.1 2,-0.8 1,-0.3 -2,-0.2 0.884 116.8 42.0 -71.6 -43.0 2.6 -4.0 67.2 595 274 B F S >< S- 0 0 6 -4,-2.8 3,-1.7 3,-0.1 -1,-0.3 -0.641 88.6-167.9-105.4 64.1 4.6 -7.2 67.9 596 275 B I T 3 + 0 0 76 -2,-0.8 -3,-0.1 -3,-0.5 3,-0.1 -0.424 69.3 8.4 -62.0 124.3 2.4 -9.6 65.8 597 276 B G T 3 S+ 0 0 85 1,-0.3 -1,-0.2 -5,-0.3 -4,-0.1 0.309 93.6 138.3 90.2 -7.3 3.2 -13.2 66.4 598 277 B A S < S- 0 0 27 -3,-1.7 -1,-0.3 -6,-0.2 5,-0.1 -0.346 70.2 -84.9 -68.9 153.4 5.6 -12.6 69.4 599 278 B N >> - 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