==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUN-05 1ZZL . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.F.MCCLURE,S.HAN . 350 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 62.9 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 . 36 10.3 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 . 27 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 28.0 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+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 1 0 1 0 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 . 0 1 2 1 2 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 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 4 A E 0 0 228 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.5 25.9 0.6 23.1 2 5 A R - 0 0 89 1,-0.1 89,-0.0 89,-0.0 0, 0.0 -0.664 360.0-121.7 -66.5 122.5 24.1 3.7 21.5 3 6 A P - 0 0 59 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.070 20.7-102.9 -62.3 165.7 20.8 2.2 20.2 4 7 A T - 0 0 84 13,-0.0 15,-2.2 2,-0.0 2,-0.3 -0.811 39.1-150.2 -87.5 132.7 19.8 2.4 16.6 5 8 A F E -A 18 0A 24 -2,-0.5 2,-0.3 13,-0.2 11,-0.0 -0.764 8.5-161.3-105.3 150.4 17.1 5.1 16.0 6 9 A Y E -A 17 0A 60 11,-2.3 11,-2.0 -2,-0.3 2,-0.3 -0.945 12.8-132.0-128.6 151.3 14.4 5.1 13.4 7 10 A R E +A 16 0A 144 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.800 28.4 154.8-108.4 148.9 12.3 8.0 12.0 8 11 A Q E -A 15 0A 53 7,-1.8 7,-3.5 -2,-0.3 2,-0.5 -0.974 39.2-112.8-156.3 157.8 8.6 8.7 11.5 9 12 A E E +A 14 0A 126 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.841 34.6 172.9 -96.4 131.3 6.3 11.6 11.2 10 13 A L E > S-A 13 0A 20 3,-2.9 3,-2.2 -2,-0.5 -2,-0.1 -0.986 70.2 -13.0-139.2 124.5 3.7 11.9 14.0 11 14 A N T 3 S- 0 0 123 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.922 129.5 -52.8 45.3 54.0 1.4 14.9 14.4 12 15 A K T 3 S+ 0 0 180 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.470 118.6 106.3 61.6 8.0 3.5 16.9 11.9 13 16 A T E < S-A 10 0A 45 -3,-2.2 -3,-2.9 2,-0.0 2,-0.7 -0.904 73.0-121.9-106.5 148.0 6.8 16.2 13.8 14 17 A I E -A 9 0A 67 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.782 29.4-161.9 -76.1 115.6 9.7 13.9 12.8 15 18 A W E -A 8 0A 5 -7,-3.5 -7,-1.8 -2,-0.7 2,-0.5 -0.953 7.9-173.6 -98.0 117.7 10.0 11.5 15.8 16 19 A E E +A 7 0A 53 -2,-0.6 -9,-0.2 -9,-0.2 -11,-0.0 -0.957 20.9 157.5-109.4 109.3 13.4 9.8 15.8 17 20 A V E -A 6 0A 1 -11,-2.0 -11,-2.3 -2,-0.5 -2,-0.0 -0.917 47.0 -85.1-131.8 152.2 13.4 7.1 18.7 18 21 A P E > -A 5 0A 4 0, 0.0 3,-1.8 0, 0.0 -13,-0.2 -0.227 42.3-115.7 -51.1 148.5 15.3 3.9 19.5 19 22 A E T 3 S+ 0 0 108 -15,-2.2 22,-0.1 1,-0.3 -14,-0.1 0.719 107.7 79.2 -65.7 -17.0 13.9 0.8 17.9 20 23 A R T 3 S+ 0 0 50 -16,-0.2 21,-2.7 1,-0.1 2,-0.7 0.813 83.2 73.8 -60.3 -27.4 13.0 -0.7 21.3 21 24 A Y E < S+B 40 0B 0 -3,-1.8 2,-0.3 19,-0.2 19,-0.2 -0.796 70.8 177.0 -95.0 114.1 10.0 1.7 21.2 22 25 A Q E +B 39 0B 69 17,-2.7 17,-3.1 -2,-0.7 -2,-0.0 -0.748 48.6 21.6-113.6 155.0 7.4 0.3 18.7 23 26 A N E - 0 0 126 -2,-0.3 -1,-0.2 15,-0.2 2,-0.2 0.853 69.3-166.5 61.1 47.9 3.9 1.4 17.6 24 27 A L E + 0 0 15 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.461 11.7 173.7 -68.8 139.4 4.0 5.1 18.6 25 28 A S E -B 37 0B 66 12,-1.8 12,-2.7 -2,-0.2 -15,-0.1 -0.968 33.8-110.2-150.4 120.3 0.6 6.6 18.6 26 29 A P E -B 36 0B 57 0, 0.0 2,-0.3 0, 0.0 10,-0.3 -0.162 39.2-171.3 -50.0 144.2 -0.4 10.2 19.8 27 30 A V > + 0 0 59 8,-2.0 3,-0.6 1,-0.1 8,-0.4 -0.968 53.9 34.0-138.8 157.8 -2.5 10.3 22.9 28 31 A G G > S- 0 0 25 -2,-0.3 3,-2.3 1,-0.2 5,-0.1 0.393 99.5-102.0 82.0 2.3 -4.4 12.9 24.9 29 32 A S G 3 S- 0 0 133 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 0.905 82.3 -50.4 49.5 48.3 -5.4 14.9 21.8 30 33 A G G X S+ 0 0 59 -3,-0.6 3,-0.9 3,-0.3 -1,-0.3 0.296 114.1 115.7 76.5 -6.4 -2.7 17.5 22.5 31 34 A A T < S+ 0 0 80 -3,-2.3 -2,-0.1 1,-0.2 -3,-0.1 0.757 82.7 37.6 -66.7 -28.3 -3.8 18.0 26.2 32 35 A Y T 3 S- 0 0 82 1,-0.5 -1,-0.2 -5,-0.3 2,-0.2 0.322 118.3-107.8-102.5 1.0 -0.5 16.6 27.6 33 36 A G S < S- 0 0 38 -3,-0.9 2,-1.6 -5,-0.1 -1,-0.5 -0.633 75.7 -16.4 99.0-162.3 1.8 18.1 25.0 34 37 A S S S+ 0 0 54 17,-0.4 17,-2.3 -2,-0.2 2,-0.4 -0.608 89.4 152.6 -79.4 85.9 3.5 16.1 22.2 35 38 A V E - C 0 50B 19 -2,-1.6 -8,-2.0 -8,-0.4 2,-0.4 -0.934 26.1-169.1-126.0 138.7 3.1 12.7 23.8 36 39 A C E -BC 26 49B 2 13,-2.0 13,-3.2 -2,-0.4 2,-0.3 -0.970 20.5-133.8-127.5 137.5 2.8 9.2 22.2 37 40 A A E +BC 25 48B 9 -12,-2.7 -12,-1.8 -2,-0.4 2,-0.3 -0.710 38.6 171.7 -77.5 139.6 1.9 5.9 23.7 38 41 A A E - C 0 47B 5 9,-2.2 9,-2.5 -2,-0.3 2,-0.6 -0.955 37.2-113.7-141.2 170.1 4.4 3.2 22.6 39 42 A F E -BC 22 46B 86 -17,-3.1 -17,-2.7 -2,-0.3 2,-0.8 -0.935 25.7-147.8-101.2 121.5 5.2 -0.4 23.4 40 43 A D E > -B 21 0B 0 5,-2.7 4,-3.2 -2,-0.6 3,-0.5 -0.812 9.3-167.8 -90.6 107.5 8.6 -0.7 25.0 41 44 A T T 4 S+ 0 0 74 -21,-2.7 -1,-0.1 -2,-0.8 -20,-0.1 0.644 83.0 57.3 -73.6 -15.3 10.1 -4.0 23.9 42 45 A K T 4 S+ 0 0 158 -22,-0.2 -1,-0.2 3,-0.1 -21,-0.1 0.877 123.9 18.5 -82.6 -36.1 12.8 -4.0 26.4 43 46 A T T 4 S- 0 0 28 -3,-0.5 -2,-0.2 2,-0.2 3,-0.1 0.622 95.2-131.3-105.8 -17.8 10.7 -3.7 29.6 44 47 A G < + 0 0 42 -4,-3.2 2,-0.2 1,-0.3 -3,-0.2 0.565 63.7 131.5 70.7 12.1 7.4 -4.9 27.9 45 48 A L - 0 0 58 -5,-0.4 -5,-2.7 -6,-0.0 2,-0.5 -0.619 65.4-117.0 -89.6 152.2 5.6 -1.8 29.5 46 49 A R E -C 39 0B 160 -7,-0.2 59,-2.2 -2,-0.2 2,-0.3 -0.788 47.0-170.8 -77.3 128.8 3.2 0.5 27.7 47 50 A V E -CD 38 104B 0 -9,-2.5 -9,-2.2 -2,-0.5 2,-0.5 -0.807 27.1-129.7-126.7 161.2 5.0 3.9 27.9 48 51 A A E -CD 37 103B 16 55,-3.3 55,-2.3 -2,-0.3 2,-0.6 -0.978 22.8-162.5-112.3 125.1 4.4 7.5 27.2 49 52 A V E -CD 36 102B 0 -13,-3.2 -13,-2.0 -2,-0.5 2,-0.5 -0.959 3.7-162.6-112.3 116.7 7.1 9.2 25.2 50 53 A K E -CD 35 101B 45 51,-3.7 51,-2.7 -2,-0.6 2,-0.7 -0.901 7.5-157.8-104.1 127.0 7.2 13.0 25.3 51 54 A K E - D 0 100B 20 -17,-2.3 -17,-0.4 -2,-0.5 49,-0.2 -0.893 27.0-128.1 -96.7 111.5 9.1 15.0 22.6 52 55 A L - 0 0 19 47,-2.3 2,-0.4 -2,-0.7 47,-0.3 -0.385 19.3-133.0 -60.1 132.2 9.8 18.4 24.2 53 56 A S S S- 0 0 93 1,-0.3 4,-0.1 2,-0.1 -1,-0.1 -0.769 77.7 -15.5 -89.7 134.0 8.7 21.3 21.9 54 57 A R S > S+ 0 0 153 -2,-0.4 3,-1.0 1,-0.1 4,-0.3 0.898 77.5 176.4 46.3 55.5 11.1 24.2 21.4 55 58 A P T 3 S+ 0 0 7 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.811 76.3 28.6 -66.8 -26.6 13.2 23.0 24.3 56 59 A F T 3 S+ 0 0 25 41,-0.2 -2,-0.1 1,-0.1 279,-0.1 0.011 82.1 119.2-127.1 28.8 16.0 25.7 23.9 57 60 A Q S < S+ 0 0 95 -3,-1.0 2,-0.3 -4,-0.1 -1,-0.1 0.815 84.1 1.9 -63.0 -39.9 13.9 28.5 22.3 58 61 A S S > S- 0 0 38 -4,-0.3 4,-3.1 -3,-0.1 5,-0.2 -0.909 78.5-100.4-142.1 173.9 14.6 31.0 25.1 59 62 A I H > S+ 0 0 77 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.934 126.8 50.5 -60.2 -44.1 16.6 31.3 28.4 60 63 A I H > S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 112.6 43.4 -61.3 -45.8 13.2 30.7 30.0 61 64 A H H > S+ 0 0 54 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.938 112.4 54.1 -65.3 -47.6 12.4 27.6 27.9 62 65 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.905 112.5 43.7 -46.1 -49.4 16.0 26.2 28.3 63 66 A K H X S+ 0 0 38 -4,-2.2 4,-3.7 2,-0.2 -1,-0.2 0.898 111.3 53.6 -70.2 -42.2 15.7 26.4 32.0 64 67 A R H X S+ 0 0 66 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.919 110.1 49.7 -58.5 -42.1 12.1 24.9 32.0 65 68 A T H X S+ 0 0 10 -4,-3.3 4,-2.4 -10,-0.4 5,-0.2 0.977 113.5 44.1 -57.5 -56.6 13.6 22.0 30.0 66 69 A Y H X S+ 0 0 10 -4,-2.6 4,-3.5 1,-0.2 -2,-0.2 0.917 113.6 52.3 -52.7 -48.0 16.4 21.5 32.4 67 70 A R H X S+ 0 0 30 -4,-3.7 4,-2.8 1,-0.2 5,-0.2 0.945 109.4 47.1 -59.9 -49.9 14.0 21.9 35.4 68 71 A E H X S+ 0 0 30 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.914 114.8 47.2 -60.7 -37.2 11.6 19.3 34.1 69 72 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.967 112.4 49.2 -71.8 -43.2 14.4 16.8 33.4 70 73 A R H X S+ 0 0 33 -4,-3.5 4,-1.4 -5,-0.2 -2,-0.2 0.940 113.0 48.1 -54.6 -49.0 16.0 17.5 36.8 71 74 A L H X S+ 0 0 5 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.2 0.900 113.8 45.6 -59.7 -47.9 12.6 16.9 38.5 72 75 A L H < S+ 0 0 16 -4,-2.4 11,-0.9 -5,-0.2 3,-0.4 0.889 110.5 53.5 -65.7 -40.4 11.7 13.7 36.6 73 76 A K H < S+ 0 0 42 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.820 108.0 52.1 -63.1 -30.5 15.2 12.2 37.2 74 77 A H H < S+ 0 0 33 -4,-1.4 2,-0.5 -5,-0.3 244,-0.3 0.800 89.5 89.4 -78.3 -28.9 14.9 12.7 40.8 75 78 A M < + 0 0 5 -4,-1.0 8,-0.4 -3,-0.4 2,-0.3 -0.603 37.7 161.4 -82.7 120.2 11.6 11.0 41.5 76 79 A K + 0 0 161 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.677 33.5 112.7-136.6 82.4 11.5 7.4 42.3 77 80 A H > - 0 0 18 3,-0.5 3,-1.8 -2,-0.3 57,-0.0 -0.986 68.5-122.0-154.1 142.1 8.2 6.5 43.9 78 81 A E T 3 S+ 0 0 127 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.676 112.0 48.5 -60.8 -25.1 5.2 4.4 42.8 79 82 A N T 3 S+ 0 0 7 83,-0.1 84,-2.2 2,-0.1 2,-0.4 0.136 102.9 73.1-105.2 16.4 2.8 7.3 43.1 80 83 A V B < S-f 163 0C 3 -3,-1.8 -3,-0.5 82,-0.3 2,-0.3 -0.999 84.9-114.8-133.8 133.0 4.9 9.8 41.2 81 84 A I + 0 0 14 82,-2.3 2,-0.2 -2,-0.4 -6,-0.2 -0.478 48.6 163.9 -62.0 123.7 5.7 10.0 37.5 82 85 A G - 0 0 12 -2,-0.3 2,-0.5 -4,-0.1 22,-0.2 -0.644 38.0 -72.8-127.6-163.3 9.3 9.4 36.8 83 86 A L + 0 0 19 -11,-0.9 20,-0.2 -8,-0.4 3,-0.1 -0.807 31.2 168.5-102.9 123.9 11.7 8.5 34.1 84 87 A L S S- 0 0 15 18,-2.9 2,-0.3 -2,-0.5 19,-0.2 0.812 81.9 -7.2 -86.1 -39.9 12.0 5.1 32.5 85 88 A D E -E 102 0B 22 17,-1.5 17,-2.5 262,-0.1 -1,-0.4 -0.989 51.9-167.3-152.3 149.8 14.2 6.6 29.8 86 89 A V E +E 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.968 27.0 159.6-134.6 132.8 15.5 9.9 28.4 87 90 A F E -E 100 0B 13 13,-2.2 13,-2.5 -2,-0.3 256,-0.1 -0.978 26.0-165.5-146.0 161.5 17.2 10.1 25.0 88 91 A T - 0 0 13 -2,-0.3 11,-0.1 2,-0.2 -71,-0.1 -0.976 26.2-135.2-135.8 149.1 18.3 12.2 22.2 89 92 A P S S+ 0 0 20 0, 0.0 -84,-0.1 0, 0.0 10,-0.1 0.623 74.8 110.6 -70.3 -15.8 19.4 11.1 18.7 90 93 A A - 0 0 15 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.328 55.2-160.3 -63.1 146.4 22.3 13.6 18.9 91 94 A R S S+ 0 0 166 1,-0.2 2,-0.3 -89,-0.0 -1,-0.1 0.506 74.8 19.0-106.5 -7.0 25.8 12.1 19.2 92 95 A S S S- 0 0 32 1,-0.1 3,-0.5 0, 0.0 4,-0.3 -0.969 83.3-104.4-148.9 163.4 27.5 15.3 20.6 93 96 A L S > S+ 0 0 52 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.826 116.7 63.8 -50.0 -39.4 26.4 18.5 22.3 94 97 A E T 3 S+ 0 0 157 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.888 110.4 36.3 -61.7 -43.6 27.0 20.4 19.0 95 98 A E T 3 S+ 0 0 94 -3,-0.5 2,-0.4 -6,-0.0 -1,-0.3 0.316 89.8 124.9 -86.9 5.6 24.2 18.4 17.2 96 99 A F < + 0 0 0 -3,-1.2 3,-0.1 -4,-0.3 243,-0.1 -0.516 17.3 130.5 -70.4 119.4 22.0 18.3 20.4 97 100 A N + 0 0 95 -2,-0.4 2,-0.3 1,-0.3 -41,-0.2 0.598 54.1 52.1-134.4 -41.4 18.5 19.8 19.6 98 101 A D - 0 0 54 -43,-0.1 2,-0.4 -44,-0.1 -1,-0.3 -0.819 53.4-160.4-113.9 148.5 15.7 17.4 20.8 99 102 A V - 0 0 1 -2,-0.3 -47,-2.3 -47,-0.3 2,-0.4 -0.990 5.5-166.3-125.0 129.4 14.9 15.7 24.1 100 103 A Y E -DE 51 87B 2 -13,-2.5 -13,-2.2 -2,-0.4 2,-0.4 -0.946 4.6-164.3-117.6 132.7 12.6 12.7 24.5 101 104 A L E -DE 50 86B 8 -51,-2.7 -51,-3.7 -2,-0.4 2,-0.4 -0.940 2.7-162.8-119.3 143.4 11.3 11.6 27.9 102 105 A V E +DE 49 85B 0 -17,-2.5 -18,-2.9 -2,-0.4 -17,-1.5 -0.972 18.5 150.0-130.9 131.4 9.7 8.2 28.6 103 106 A T E -D 48 0B 21 -55,-2.3 -55,-3.3 -2,-0.4 -20,-0.1 -0.890 51.7 -60.8-146.1-179.6 7.5 7.1 31.5 104 107 A H E -D 47 0B 63 -2,-0.3 2,-0.7 -57,-0.3 -57,-0.3 -0.295 46.0-130.9 -65.9 140.8 4.8 4.6 32.3 105 108 A L + 0 0 36 -59,-2.2 -59,-0.2 1,-0.2 -1,-0.1 -0.895 25.1 179.4 -99.5 118.0 1.6 5.1 30.4 106 109 A M - 0 0 14 -2,-0.7 51,-0.3 50,-0.1 -1,-0.2 0.847 30.3-139.7 -85.3 -43.1 -1.2 5.1 32.8 107 110 A G + 0 0 58 -3,-0.2 2,-0.3 49,-0.1 49,-0.1 -0.024 65.5 29.4 113.5 -33.0 -3.9 5.6 30.2 108 111 A A E -G 155 0C 34 47,-1.3 47,-3.0 -80,-0.0 2,-0.3 -0.948 68.5-121.9-146.6 168.3 -6.3 8.1 31.8 109 112 A D E -G 154 0C 6 -2,-0.3 3,-0.3 45,-0.3 45,-0.2 -0.762 32.0-111.6-106.2 163.8 -6.5 10.9 34.3 110 113 A L S >> S+ 0 0 2 43,-2.2 4,-2.2 40,-1.2 3,-1.0 0.854 117.8 56.9 -59.6 -38.1 -8.7 11.0 37.4 111 114 A N H 3> S+ 0 0 31 39,-0.6 4,-1.0 1,-0.3 2,-0.5 0.896 104.7 49.9 -59.7 -46.4 -10.7 13.8 35.8 112 115 A N H 34 S+ 0 0 101 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 -0.353 115.7 44.5 -95.0 42.6 -11.6 11.6 32.7 113 116 A I H <4 S+ 0 0 95 -3,-1.0 -2,-0.2 -2,-0.5 -1,-0.2 0.228 118.8 34.0-134.9 -44.5 -12.7 8.8 34.8 114 117 A V H >< S+ 0 0 8 -4,-2.2 3,-2.2 -5,-0.1 -2,-0.2 0.294 72.5 151.4-107.0 3.2 -14.8 10.3 37.6 115 118 A K T 3< S- 0 0 120 -4,-1.0 102,-0.1 1,-0.2 3,-0.1 -0.143 81.3 -5.9 -36.2 120.3 -16.5 13.2 35.8 116 119 A C T 3 S+ 0 0 92 100,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.584 109.5 123.4 69.0 19.3 -20.0 13.9 37.5 117 120 A Q < - 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0 0 39 -2,-0.4 -9,-0.1 1,-0.1 -33,-0.0 -0.418 31.0-143.5 -53.8 131.4 -16.4 20.5 42.1 219 222 A L S S+ 0 0 34 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.938 88.5 16.4 -70.6 -47.9 -16.0 22.0 45.6 220 223 A F + 0 0 4 -36,-0.3 2,-2.6 2,-0.1 -1,-0.2 -0.469 67.0 168.6-124.9 67.8 -15.2 25.6 44.5 221 224 A P - 0 0 36 0, 0.0 -40,-0.1 0, 0.0 -3,-0.0 -0.334 22.7-175.9 -73.8 63.5 -16.3 26.1 40.8 222 225 A G - 0 0 0 -2,-2.6 -42,-0.4 1,-0.1 -39,-0.1 -0.317 32.1-139.7 -64.2 146.9 -15.9 29.9 40.9 223 226 A T S S- 0 0 73 -44,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.619 86.9 -12.5 -76.2 -14.7 -16.9 31.9 37.8 224 227 A D S > S- 0 0 67 -47,-0.1 4,-2.8 -45,-0.1 5,-0.2 -0.933 88.9 -76.5-169.3-178.5 -13.8 34.0 38.5 225 228 A H H > S+ 0 0 55 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.896 127.8 44.5 -59.4 -41.2 -11.2 34.7 41.1 226 229 A I H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 113.4 48.6 -77.2 -40.1 -13.5 36.8 43.3 227 230 A D H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 112.3 50.7 -62.8 -39.8 -16.5 34.5 43.0 228 231 A Q H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.921 108.0 51.7 -62.6 -45.7 -14.2 31.5 43.9 229 232 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.892 108.5 51.2 -60.2 -41.5 -12.9 33.3 46.9 230 233 A K H X S+ 0 0 110 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.922 109.5 51.1 -59.8 -39.2 -16.5 34.0 48.0 231 234 A L H X S+ 0 0 60 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.944 112.8 47.2 -59.5 -47.6 -17.2 30.2 47.6 232 235 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.905 111.9 46.4 -59.7 -49.5 -14.2 29.4 49.7 233 236 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.808 106.5 60.5 -69.6 -22.8 -14.9 31.9 52.6 234 237 A R H < S+ 0 0 156 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.953 114.9 34.4 -69.4 -46.5 -18.5 30.8 52.8 235 238 A L H < S+ 0 0 11 -4,-1.6 30,-2.8 1,-0.2 -2,-0.2 0.925 132.0 27.5 -70.1 -45.6 -17.3 27.3 53.6 236 239 A V H < S- 0 0 17 -4,-2.8 28,-0.4 28,-0.2 52,-0.3 0.463 109.3-113.8-108.9 2.5 -14.2 27.9 55.6 237 240 A G < - 0 0 4 -4,-1.7 -1,-0.2 26,-0.4 -3,-0.1 0.110 38.0 -68.3 84.0 153.7 -15.0 31.3 57.2 238 241 A T - 0 0 24 24,-1.8 26,-0.1 1,-0.1 50,-0.1 -0.412 68.1 -81.1 -70.0 153.0 -13.4 34.7 56.6 239 242 A P - 0 0 7 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.267 45.5-139.4 -62.8 143.6 -9.8 35.2 57.9 240 243 A G > - 0 0 41 -3,-0.1 4,-2.1 21,-0.0 3,-0.2 -0.404 36.2 -83.7 -94.7 177.5 -9.4 36.0 61.6 241 244 A A H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 -1,-0.0 0.842 125.0 54.9 -51.0 -41.2 -7.0 38.5 63.1 242 245 A E H > S+ 0 0 124 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.944 110.3 42.0 -63.0 -51.7 -4.1 36.0 63.2 243 246 A L H > S+ 0 0 12 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.881 107.6 62.4 -61.6 -39.6 -4.1 35.1 59.4 244 247 A L H >< S+ 0 0 23 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.906 99.9 53.8 -55.2 -43.2 -4.7 38.7 58.4 245 248 A K H 3< S+ 0 0 165 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.898 108.1 52.0 -52.4 -44.7 -1.3 39.6 60.0 246 249 A K H 3< S+ 0 0 65 -4,-1.2 2,-1.6 -3,-0.1 -1,-0.2 0.609 80.2 97.1 -74.6 -16.6 0.3 36.9 57.8 247 250 A I << - 0 0 0 -4,-1.1 6,-0.2 -3,-0.9 -52,-0.2 -0.624 57.7-172.7 -72.3 94.1 -1.2 38.2 54.6 248 251 A S + 0 0 87 -2,-1.6 2,-0.7 -54,-0.4 -1,-0.2 0.659 59.0 89.8 -67.3 -16.3 2.0 40.1 53.7 249 252 A S > - 0 0 37 -55,-1.6 4,-2.2 1,-0.2 5,-0.2 -0.741 62.3-162.3 -83.6 113.6 0.2 41.8 50.6 250 253 A E H > S+ 0 0 143 -2,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.792 89.6 56.8 -63.5 -26.3 -1.3 45.0 51.9 251 254 A S H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.964 109.5 41.8 -70.9 -52.0 -3.5 45.1 48.9 252 255 A A H > S+ 0 0 14 2,-0.2 4,-2.9 -59,-0.2 -2,-0.2 0.883 114.1 53.7 -57.9 -46.6 -5.1 41.7 49.4 253 256 A R H X S+ 0 0 65 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.940 108.4 49.6 -56.1 -51.8 -5.4 42.4 53.2 254 257 A N H X S+ 0 0 120 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.862 112.2 46.7 -59.3 -38.9 -7.3 45.5 52.6 255 258 A Y H >< S+ 0 0 73 -4,-1.8 3,-1.0 2,-0.2 4,-0.3 0.952 110.5 52.9 -70.0 -45.5 -9.7 43.9 50.1 256 259 A I H >< S+ 0 0 8 -4,-2.9 3,-2.0 1,-0.3 -2,-0.2 0.900 104.1 57.2 -52.0 -42.6 -10.4 40.9 52.4 257 260 A Q H 3< S+ 0 0 127 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.731 95.2 66.1 -63.9 -26.1 -11.3 43.3 55.3 258 261 A S T << S+ 0 0 83 -3,-1.0 -1,-0.3 -4,-0.8 2,-0.3 0.590 84.6 94.5 -71.0 -9.1 -14.0 44.8 53.2 259 262 A L S < S- 0 0 36 -3,-2.0 3,-0.1 -4,-0.3 2,-0.0 -0.632 87.8-104.4 -88.3 144.0 -16.0 41.5 53.2 260 263 A T - 0 0 125 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.430 47.5-110.8 -58.0 131.0 -18.8 40.8 55.7 261 264 A Q - 0 0 156 -4,-0.1 -1,-0.1 -24,-0.1 -21,-0.0 -0.411 37.5-172.3 -64.2 144.7 -17.3 38.3 58.2 262 265 A M - 0 0 64 -2,-0.1 -24,-1.8 -29,-0.1 2,-0.2 -0.983 19.7-123.9-139.2 141.5 -18.7 34.8 58.1 263 266 A P - 0 0 107 0, 0.0 -26,-0.4 0, 0.0 0, 0.0 -0.577 42.4 -86.0 -79.9 155.4 -18.0 31.8 60.5 264 267 A K - 0 0 106 -28,-0.4 -28,-0.2 -2,-0.2 -29,-0.1 -0.261 50.4-119.5 -48.9 136.6 -16.7 28.5 59.3 265 268 A M - 0 0 62 -30,-2.8 2,-0.8 -31,-0.2 -1,-0.1 -0.353 27.8 -97.0 -78.0 164.7 -19.5 26.2 58.1 266 269 A N >> - 0 0 89 1,-0.2 3,-1.4 -2,-0.1 4,-1.2 -0.734 28.2-154.9 -84.2 110.8 -20.3 22.8 59.7 267 270 A F H 3> S+ 0 0 1 -2,-0.8 4,-3.8 1,-0.3 -1,-0.2 0.827 90.3 61.4 -63.4 -28.5 -18.6 20.1 57.5 268 271 A A H 34 S+ 0 0 52 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.791 108.6 43.2 -62.8 -29.3 -21.2 17.4 58.6 269 272 A N H <4 S+ 0 0 116 -3,-1.4 3,-0.4 3,-0.1 -1,-0.2 0.656 115.1 48.7 -90.2 -17.9 -24.0 19.4 57.1 270 273 A V H < S+ 0 0 50 -4,-1.2 2,-1.0 1,-0.2 -2,-0.2 0.903 116.4 41.0 -81.1 -46.3 -22.0 20.3 54.0 271 274 A F S >< S- 0 0 10 -4,-3.8 3,-1.7 -5,-0.2 -1,-0.2 -0.510 88.2-164.2-102.2 66.3 -20.9 16.6 53.3 272 275 A I T 3 - 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0 0 40 -2,-1.6 6,-0.1 -3,-0.3 5,-0.1 -0.936 51.0-140.8-108.4 123.3 -8.1 25.3 56.7 288 291 A L S S+ 0 0 13 -2,-0.5 2,-0.7 -52,-0.3 -99,-0.2 0.939 89.7 71.0 -50.3 -52.8 -7.9 28.9 55.4 289 292 A D S > S- 0 0 13 1,-0.2 3,-1.3 -3,-0.1 4,-0.3 -0.577 74.8-154.5 -67.5 113.9 -4.6 29.5 57.3 290 293 A S G > S+ 0 0 7 -2,-0.7 3,-1.8 1,-0.3 -1,-0.2 0.841 88.9 64.3 -62.0 -40.6 -2.0 27.4 55.4 291 294 A D G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.791 104.4 49.1 -50.0 -31.3 0.3 27.0 58.5 292 295 A K G < S+ 0 0 134 -3,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.432 83.5 112.4 -94.0 -0.2 -2.5 25.1 60.2 293 296 A R S < S- 0 0 10 -3,-1.8 -8,-0.2 -4,-0.3 -9,-0.1 -0.417 76.9-101.8 -67.4 148.1 -3.3 22.6 57.5 294 297 A I - 0 0 19 -10,-2.1 2,-0.2 -13,-0.2 -1,-0.1 -0.322 39.6-124.4 -54.3 148.7 -2.5 18.9 58.1 295 298 A T > - 0 0 46 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.549 18.9-111.2 -94.2 169.6 0.7 17.7 56.3 296 299 A A H > S+ 0 0 3 2,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.960 119.2 51.2 -69.8 -45.4 0.8 14.8 53.9 297 300 A A H > S+ 0 0 48 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.907 115.1 43.7 -57.0 -46.1 2.9 12.7 56.4 298 301 A Q H >4 S+ 0 0 109 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.900 109.9 54.5 -65.4 -40.9 0.4 13.4 59.1 299 302 A A H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 6,-0.2 0.869 100.7 61.1 -63.8 -31.5 -2.7 12.8 56.9 300 303 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.775 103.2 50.9 -62.9 -30.6 -1.3 9.3 56.0 301 304 A A T << S+ 0 0 63 -3,-0.9 -1,-0.3 -4,-0.7 2,-0.2 0.266 85.9 116.6 -89.2 7.3 -1.5 8.4 59.7 302 305 A H S X S- 0 0 25 -3,-1.8 3,-1.8 1,-0.1 7,-0.1 -0.572 78.2-117.2 -81.5 148.6 -5.1 9.6 59.9 303 306 A A G > S+ 0 0 59 1,-0.3 3,-1.6 -2,-0.2 4,-0.2 0.633 105.4 76.1 -60.3 -23.1 -7.7 6.9 60.7 304 307 A Y G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -27,-0.3 3,-0.2 0.763 101.3 42.4 -55.6 -29.2 -9.5 7.3 57.4 305 308 A F G X> S+ 0 0 0 -3,-1.8 4,-2.9 -6,-0.2 3,-2.6 0.152 74.6 124.4-102.4 14.3 -6.7 5.4 55.7 306 309 A A T <4 S+ 0 0 69 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.815 73.3 55.2 -56.0 -37.7 -6.3 2.7 58.4 307 310 A Q T 34 S+ 0 0 122 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.751 121.4 28.0 -56.0 -32.2 -6.8 -0.1 55.7 308 311 A Y T <4 S+ 0 0 69 -3,-2.6 -2,-0.2 -8,-0.1 -1,-0.2 0.704 91.3 111.3-108.4 -25.0 -3.9 1.3 53.6 309 312 A H < + 0 0 58 -4,-2.9 5,-0.1 -7,-0.1 -8,-0.1 -0.288 28.2 158.7 -61.8 130.9 -1.5 3.0 56.0 310 313 A D > - 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