==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN, TRANSFERASE 09-JAN-09 3FSF . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,J.BERTRAND,B.LOVEJOY . 340 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 64.7 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 . 35 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 . 2 0.6 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 . 1 0.3 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 . 24 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 29.7 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 1 2 1 0 0 1 1 0 1 1 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 . 1 0 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 5 A R 0 0 168 0, 0.0 85,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.4 -1.8 4.2 40.5 2 6 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.052 360.0 -97.0 -64.6 174.1 1.4 2.4 41.7 3 7 A T - 0 0 86 2,-0.0 15,-2.4 0, 0.0 2,-0.3 -0.813 39.1-153.6 -96.4 136.6 2.6 2.6 45.3 4 8 A F E -A 17 0A 27 -2,-0.4 2,-0.3 13,-0.3 11,-0.0 -0.789 5.5-159.4-109.0 151.7 5.3 5.2 46.0 5 9 A Y E -A 16 0A 56 11,-2.3 11,-1.9 -2,-0.3 2,-0.3 -0.980 15.2-126.1-132.8 147.8 7.9 5.2 48.7 6 10 A R E +A 15 0A 179 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.626 28.9 165.0 -94.8 149.3 9.9 8.1 50.2 7 11 A Q E -A 14 0A 63 7,-1.9 7,-3.5 -2,-0.3 2,-0.5 -0.922 31.0-130.0-162.0 130.9 13.7 8.4 50.5 8 12 A E E -A 13 0A 123 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.767 21.1-174.4 -89.9 127.2 15.9 11.4 51.2 9 13 A L S S- 0 0 13 3,-3.9 4,-0.0 -2,-0.5 15,-0.0 -0.796 71.8 -31.4-123.7 87.2 18.8 11.8 48.8 10 14 A N S S- 0 0 115 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.974 126.6 -38.6 70.4 58.2 21.1 14.6 49.9 11 15 A K S S+ 0 0 190 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.697 122.1 110.3 68.4 16.1 18.6 17.0 51.6 12 16 A T - 0 0 39 2,-0.0 -3,-3.9 0, 0.0 2,-0.6 -0.988 63.2-142.2-125.6 127.4 16.2 16.0 48.8 13 17 A I E -A 8 0A 84 -2,-0.4 2,-0.5 -5,-0.3 -5,-0.2 -0.796 17.4-165.8 -92.2 124.0 13.1 13.9 49.3 14 18 A W E -A 7 0A 2 -7,-3.5 -7,-1.9 -2,-0.6 2,-0.5 -0.923 8.9-173.2-110.2 133.6 12.3 11.5 46.5 15 19 A E E +A 6 0A 34 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.970 22.8 158.4-125.9 110.5 9.0 9.7 46.2 16 20 A V E -A 5 0A 2 -11,-1.9 -11,-2.3 -2,-0.5 -2,-0.0 -0.915 45.8 -84.9-134.9 158.1 9.0 7.1 43.4 17 21 A P E > -A 4 0A 3 0, 0.0 3,-2.1 0, 0.0 -13,-0.3 -0.289 43.3-113.6 -60.5 145.0 7.0 4.0 42.4 18 22 A E T 3 S+ 0 0 112 -15,-2.4 18,-0.2 1,-0.3 -14,-0.1 0.759 109.1 76.7 -50.9 -30.0 8.2 0.7 44.1 19 23 A R T 3 S+ 0 0 64 -16,-0.2 17,-2.7 16,-0.1 2,-0.6 0.785 83.5 74.6 -55.6 -27.4 9.4 -0.6 40.7 20 24 A Y E < +B 35 0B 1 -3,-2.1 2,-0.3 15,-0.2 15,-0.2 -0.820 68.1 169.5 -94.4 120.2 12.4 1.7 41.0 21 25 A Q E +B 34 0B 74 13,-2.4 13,-2.4 -2,-0.6 -2,-0.0 -0.792 45.1 31.1-126.8 164.4 15.0 0.4 43.5 22 26 A N E - 0 0 115 -2,-0.3 2,-0.4 11,-0.2 -1,-0.2 0.941 69.3-170.0 54.2 55.4 18.6 1.1 44.6 23 27 A L E + 0 0 14 -3,-0.2 10,-0.2 10,-0.1 -1,-0.2 -0.624 8.9 175.6 -77.7 131.3 18.6 4.8 43.9 24 28 A S E -B 32 0B 61 8,-2.0 8,-2.7 -2,-0.4 -15,-0.0 -0.990 33.2-108.2-139.7 130.5 22.0 6.5 44.1 25 29 A P E +B 31 0B 60 0, 0.0 6,-0.3 0, 0.0 -15,-0.0 -0.190 36.6 166.7 -54.2 138.5 22.8 10.2 43.3 26 30 A V 0 0 87 4,-2.9 5,-0.2 1,-0.5 17,-0.0 0.228 360.0 360.0-137.1 9.4 24.8 10.8 40.1 27 31 A G 0 0 76 3,-0.8 3,-3.1 0, 0.0 -1,-0.5 -0.804 360.0 360.0 156.9 360.0 24.4 14.6 39.7 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 37 A S 0 0 57 0, 0.0 17,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 172.8 18.9 16.3 40.3 30 38 A V E - C 0 45B 36 -3,-3.1 -4,-2.9 15,-0.2 -3,-0.8 -0.932 360.0-176.2-126.9 143.4 19.5 12.8 39.1 31 39 A C E -BC 25 44B 1 13,-2.3 13,-3.8 -2,-0.4 2,-0.3 -0.962 22.6-133.8-130.1 145.9 19.8 9.2 40.5 32 40 A A E +BC 24 43B 9 -8,-2.7 -8,-2.0 -2,-0.3 2,-0.3 -0.682 38.9 163.8 -89.8 152.8 20.7 6.0 38.8 33 41 A A E - C 0 42B 0 9,-2.4 9,-3.0 -2,-0.3 2,-0.5 -0.953 39.1-108.7-158.5 174.8 18.3 3.2 39.7 34 42 A F E -BC 21 41B 60 -13,-2.4 -13,-2.4 -2,-0.3 2,-1.1 -0.978 21.3-147.1-117.5 122.7 17.2 -0.3 38.7 35 43 A D E >>> -BC 20 40B 3 5,-2.8 4,-2.8 -2,-0.5 3,-1.1 -0.782 10.8-168.5 -90.5 98.4 13.7 -0.6 37.1 36 44 A T T 345S+ 0 0 83 -17,-2.7 -1,-0.2 -2,-1.1 -16,-0.1 0.635 81.6 62.1 -63.6 -15.2 12.6 -4.0 38.3 37 45 A K T 345S+ 0 0 157 -18,-0.3 -1,-0.3 1,-0.1 -17,-0.1 0.799 120.4 20.5 -81.7 -28.5 9.7 -4.0 36.0 38 46 A T T <45S- 0 0 70 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.1 0.586 97.4-123.0-114.4 -15.8 11.8 -3.8 32.8 39 47 A G T <5 + 0 0 47 -4,-2.8 2,-0.4 1,-0.3 -3,-0.2 0.682 66.8 138.0 78.6 19.0 15.2 -5.1 34.0 40 48 A L E < -C 35 0B 59 -5,-1.0 -5,-2.8 59,-0.0 2,-0.5 -0.784 57.8-130.4-103.6 139.4 16.7 -1.8 32.8 41 49 A R E -C 34 0B 121 -2,-0.4 59,-1.9 -7,-0.2 2,-0.3 -0.722 43.8-174.1 -80.3 131.2 19.3 0.3 34.6 42 50 A V E -CD 33 99B 0 -9,-3.0 -9,-2.4 -2,-0.5 2,-0.5 -0.873 31.1-130.5-132.0 166.1 17.8 3.8 34.5 43 51 A A E -CD 32 98B 18 55,-2.6 55,-2.1 -2,-0.3 2,-0.5 -0.948 23.0-161.0-111.2 129.5 18.5 7.4 35.2 44 52 A V E -CD 31 97B 1 -13,-3.8 -13,-2.3 -2,-0.5 2,-0.5 -0.946 3.0-165.8-116.7 118.0 15.8 9.3 37.2 45 53 A K E -CD 30 96B 63 51,-2.9 51,-2.4 -2,-0.5 2,-0.7 -0.885 6.1-158.9-105.2 124.4 15.7 13.1 37.2 46 54 A K E - D 0 95B 28 -17,-2.8 49,-0.2 -2,-0.5 2,-0.1 -0.894 27.4-124.4 -98.6 118.4 13.6 14.9 39.8 47 55 A L - 0 0 11 47,-2.8 2,-0.7 -2,-0.7 47,-0.3 -0.356 16.7-129.8 -66.4 138.8 12.8 18.4 38.4 48 56 A S S S- 0 0 64 1,-0.2 -1,-0.1 2,-0.1 45,-0.0 -0.814 79.5 -26.1 -93.0 115.0 13.9 21.3 40.6 49 57 A R S > S- 0 0 168 -2,-0.7 3,-1.1 1,-0.1 -1,-0.2 0.933 74.3-176.3 44.3 64.5 11.0 23.8 41.1 50 58 A P T 3 S+ 0 0 6 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.783 77.0 32.8 -57.6 -36.0 9.3 22.9 37.8 51 59 A F T 3 S+ 0 0 25 41,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.171 77.7 115.6-121.1 43.8 6.6 25.6 38.2 52 60 A Q S < S+ 0 0 111 -3,-1.1 2,-0.3 1,-0.1 -1,-0.1 0.666 85.4 6.1 -86.2 -15.8 8.2 28.5 40.0 53 61 A S S > S- 0 0 36 -3,-0.2 4,-3.4 -4,-0.2 5,-0.3 -0.969 78.3-101.8-157.0 166.5 7.9 31.0 37.1 54 62 A I H > S+ 0 0 83 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.962 123.5 50.4 -56.9 -52.6 6.4 31.3 33.7 55 63 A I H > S+ 0 0 128 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.853 115.0 43.7 -53.9 -39.6 9.8 30.7 32.1 56 64 A H H > S+ 0 0 68 2,-0.2 4,-2.8 3,-0.2 -2,-0.2 0.919 112.4 50.4 -74.3 -46.2 10.3 27.5 34.3 57 65 A A H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.923 114.4 45.2 -58.9 -42.8 6.8 26.2 33.8 58 66 A K H X S+ 0 0 27 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.849 111.2 53.7 -70.3 -32.1 7.1 26.6 30.1 59 67 A R H X S+ 0 0 89 -4,-1.3 4,-2.7 -5,-0.3 -2,-0.2 0.913 108.2 49.5 -66.5 -43.2 10.6 25.0 30.2 60 68 A T H X S+ 0 0 1 -4,-2.8 4,-2.5 -10,-0.4 5,-0.2 0.942 112.6 46.9 -61.2 -46.4 9.2 22.0 32.0 61 69 A Y H X S+ 0 0 15 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.940 111.6 52.5 -59.8 -46.7 6.4 21.6 29.5 62 70 A R H X S+ 0 0 84 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.928 110.3 46.5 -56.2 -48.5 8.9 22.0 26.6 63 71 A E H X S+ 0 0 39 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.932 113.6 48.2 -64.6 -42.7 11.3 19.3 28.0 64 72 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.921 111.3 49.7 -63.2 -42.9 8.5 16.8 28.6 65 73 A R H X S+ 0 0 41 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.946 112.9 48.2 -60.7 -46.1 6.9 17.4 25.1 66 74 A L H >X S+ 0 0 22 -4,-2.3 4,-1.8 -5,-0.2 3,-0.5 0.946 113.6 44.3 -58.3 -55.0 10.3 16.9 23.5 67 75 A L H 3< S+ 0 0 12 -4,-2.4 11,-0.8 1,-0.3 -1,-0.2 0.861 110.1 55.3 -62.0 -38.7 11.3 13.7 25.3 68 76 A K H 3< S+ 0 0 40 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.806 110.5 48.8 -64.4 -26.3 7.9 12.1 24.9 69 77 A H H << S+ 0 0 39 -4,-1.2 2,-0.6 -3,-0.5 242,-0.2 0.896 88.5 88.6 -82.1 -39.7 8.3 12.7 21.1 70 78 A M < + 0 0 2 -4,-1.8 8,-0.5 6,-0.1 2,-0.4 -0.493 41.8 161.8 -68.6 109.7 11.8 11.2 20.5 71 79 A K + 0 0 151 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.774 30.6 114.3-129.9 84.5 11.6 7.5 19.8 72 80 A H > - 0 0 22 3,-0.5 3,-1.5 -2,-0.4 57,-0.0 -0.992 68.4-121.7-154.2 145.7 14.9 6.5 18.1 73 81 A E T 3 S+ 0 0 128 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.742 113.2 45.0 -60.2 -26.9 17.9 4.3 19.0 74 82 A N T 3 S+ 0 0 5 83,-0.1 84,-2.5 2,-0.1 2,-0.4 0.211 105.9 70.2-104.4 13.7 20.4 7.2 18.7 75 83 A V B < S-f 158 0C 2 -3,-1.5 -3,-0.5 82,-0.3 2,-0.2 -0.992 89.0-106.7-132.3 140.1 18.3 9.7 20.6 76 84 A I - 0 0 24 82,-2.7 2,-0.2 -2,-0.4 -6,-0.1 -0.452 47.1-177.3 -65.8 130.0 17.5 9.9 24.3 77 85 A G - 0 0 17 -2,-0.2 2,-0.6 -4,-0.1 22,-0.3 -0.621 28.9 -92.3-120.0-177.9 13.9 9.0 24.9 78 86 A L + 0 0 13 -11,-0.8 20,-0.2 -8,-0.5 3,-0.1 -0.839 29.1 174.6-103.3 121.2 11.4 8.7 27.7 79 87 A L S S- 0 0 24 18,-3.0 2,-0.3 -2,-0.6 19,-0.2 0.835 73.9 -17.6 -87.9 -32.0 11.0 5.4 29.5 80 88 A D E -E 97 0B 23 17,-1.5 17,-3.2 260,-0.1 -1,-0.4 -0.982 50.3-162.8-167.4 155.6 8.6 6.8 32.1 81 89 A V E +E 96 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.978 24.6 162.8-144.8 138.5 7.4 10.1 33.7 82 90 A F E -E 95 0B 15 13,-1.9 13,-2.3 -2,-0.3 254,-0.1 -0.989 25.6-159.6-154.7 162.7 5.5 10.3 37.0 83 91 A T - 0 0 13 -2,-0.3 11,-0.1 2,-0.2 -67,-0.1 -0.990 24.0-137.4-140.0 142.6 4.4 12.5 39.8 84 92 A P S S+ 0 0 13 0, 0.0 -80,-0.1 0, 0.0 7,-0.1 0.707 73.4 115.6 -74.8 -11.5 3.3 11.3 43.3 85 93 A A - 0 0 10 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.223 55.9-158.3 -58.6 142.1 0.5 13.8 43.0 86 94 A R S S+ 0 0 142 1,-0.1 2,-0.3 -85,-0.0 -1,-0.1 0.533 73.6 11.1 -97.9 -10.4 -3.1 12.4 42.9 87 95 A S S > S- 0 0 38 1,-0.1 4,-0.8 0, 0.0 3,-0.3 -0.961 81.7 -98.0-158.3 169.2 -4.7 15.4 41.2 88 96 A L T >4 S+ 0 0 55 -2,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.875 120.0 57.2 -62.4 -38.2 -3.8 18.7 39.4 89 97 A E T 34 S+ 0 0 162 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.861 112.8 39.8 -61.8 -36.4 -4.4 20.7 42.7 90 98 A E T 34 S+ 0 0 71 -3,-0.3 2,-0.3 -6,-0.0 -1,-0.2 0.508 88.7 121.9 -89.9 -6.7 -1.7 18.6 44.5 91 99 A F << + 0 0 0 -4,-0.8 3,-0.1 -3,-0.6 241,-0.1 -0.411 18.3 128.5 -64.3 118.4 0.6 18.5 41.4 92 100 A N + 0 0 100 -2,-0.3 2,-0.3 1,-0.3 -41,-0.3 0.541 53.9 58.1-141.8 -24.5 4.1 19.9 42.2 93 101 A D - 0 0 50 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.890 52.3-163.0-121.0 150.6 6.8 17.5 41.2 94 102 A V - 0 0 1 -2,-0.3 -47,-2.8 -47,-0.3 2,-0.4 -0.991 3.1-169.5-131.2 128.9 7.9 15.9 38.0 95 103 A Y E -DE 46 82B 2 -13,-2.3 -13,-1.9 -2,-0.4 2,-0.4 -0.962 5.9-162.7-118.5 134.9 10.2 12.9 37.6 96 104 A L E -DE 45 81B 4 -51,-2.4 -51,-2.9 -2,-0.4 2,-0.4 -0.961 3.3-158.3-119.2 134.8 11.6 11.8 34.2 97 105 A V E +DE 44 80B 0 -17,-3.2 -18,-3.0 -2,-0.4 -17,-1.5 -0.939 19.1 160.6-117.2 129.4 13.1 8.3 33.6 98 106 A T E -D 43 0B 21 -55,-2.1 -55,-2.6 -2,-0.4 -20,-0.1 -0.820 49.6 -72.0-135.1 173.3 15.4 7.5 30.8 99 107 A H E -D 42 0B 70 -22,-0.3 2,-0.5 -2,-0.3 -57,-0.2 -0.405 53.0-116.3 -63.3 144.7 18.0 4.7 29.9 100 108 A L - 0 0 64 -59,-1.9 2,-0.3 -67,-0.1 -59,-0.1 -0.758 32.8-154.7 -86.3 129.6 21.1 5.0 32.1 101 109 A M - 0 0 47 -2,-0.5 3,-0.1 1,-0.1 50,-0.0 -0.766 12.0-133.0-104.2 154.1 24.1 5.8 29.9 102 110 A G - 0 0 65 -2,-0.3 2,-0.3 1,-0.3 49,-0.1 0.960 69.6 -30.1 -71.1 -57.5 27.7 4.9 30.8 103 111 A A - 0 0 39 47,-0.4 47,-2.1 3,-0.0 -1,-0.3 -0.976 62.7-102.8-159.6 158.1 29.7 8.0 30.0 104 112 A D B > -G 149 0C 33 -2,-0.3 4,-0.8 45,-0.2 3,-0.4 -0.565 35.1-110.7 -88.4 155.1 29.7 10.9 27.6 105 113 A L H >> S+ 0 0 2 43,-3.6 4,-2.5 40,-0.8 3,-0.9 0.859 117.2 56.2 -48.8 -42.4 31.9 11.1 24.6 106 114 A N H 3> S+ 0 0 50 39,-0.9 4,-0.9 42,-0.3 -1,-0.2 0.913 107.1 46.9 -58.8 -47.5 33.9 14.0 26.2 107 115 A N H 34 S+ 0 0 107 -3,-0.4 -1,-0.3 38,-0.2 -2,-0.2 0.571 118.2 46.8 -72.6 -7.7 34.7 12.0 29.3 108 116 A I H << S+ 0 0 82 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.876 123.3 15.0-102.5 -49.5 35.8 9.1 27.1 109 117 A V H >< S+ 0 0 23 -4,-2.5 3,-1.8 3,-0.0 -3,-0.1 0.169 77.0 143.8-117.7 21.2 38.0 10.1 24.2 110 118 A K T 3< S+ 0 0 129 -4,-0.9 3,-0.1 1,-0.3 100,-0.1 -0.313 78.5 10.4 -62.2 141.0 39.2 13.6 25.1 111 119 A C T 3 S+ 0 0 81 98,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.698 110.3 115.6 63.3 20.5 42.8 14.3 24.0 112 120 A Q < - 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0 0 36 -2,-0.4 -9,-0.1 1,-0.1 -33,-0.0 -0.395 29.1-144.5 -59.4 134.0 39.6 20.6 19.4 212 222 A L S S+ 0 0 33 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.940 88.5 13.4 -68.5 -53.5 39.0 22.0 15.9 213 223 A F + 0 0 4 -36,-0.3 2,-2.4 2,-0.1 -1,-0.2 -0.556 69.0 172.7-127.7 72.2 38.3 25.7 16.9 214 224 A P - 0 0 39 0, 0.0 -40,-0.1 0, 0.0 -3,-0.0 -0.387 20.2-175.7 -77.3 66.7 39.4 26.1 20.5 215 225 A G - 0 0 0 -2,-2.4 -42,-0.4 1,-0.1 -39,-0.1 -0.325 31.0-140.8 -66.3 146.1 38.9 29.9 20.5 216 226 A T S S- 0 0 72 -44,-0.2 -44,-0.3 1,-0.2 2,-0.3 0.552 86.3 -12.3 -80.0 -10.0 39.8 31.9 23.6 217 227 A D S > S- 0 0 65 -46,-0.1 4,-2.6 -47,-0.1 5,-0.2 -0.937 91.5 -74.4-172.8 174.4 36.7 34.0 23.1 218 228 A H H > S+ 0 0 60 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.879 127.3 42.0 -51.0 -47.6 34.0 34.6 20.3 219 229 A I H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 112.8 51.6 -72.9 -39.5 36.2 36.7 18.0 220 230 A D H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.936 111.6 50.5 -62.4 -41.7 39.4 34.5 18.4 221 231 A Q H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.918 106.4 53.0 -62.0 -43.2 37.1 31.6 17.5 222 232 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.909 108.9 51.3 -59.8 -38.8 35.7 33.3 14.4 223 233 A K H X S+ 0 0 110 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.913 108.1 50.7 -64.0 -41.4 39.3 33.9 13.2 224 234 A L H X S+ 0 0 59 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.902 114.2 46.4 -61.0 -42.6 40.2 30.2 13.7 225 235 A I H >X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 3,-0.7 0.955 112.4 46.6 -65.3 -51.4 37.2 29.3 11.7 226 236 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.3 -2,-0.2 0.840 105.6 61.6 -63.0 -31.7 37.7 31.8 8.8 227 237 A R H 3< S+ 0 0 149 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.870 114.2 35.4 -62.2 -34.6 41.3 30.8 8.6 228 238 A L H << S+ 0 0 9 -4,-1.0 30,-2.5 -3,-0.7 -2,-0.2 0.925 130.3 28.3 -85.3 -47.9 40.2 27.3 7.7 229 239 A V H < S- 0 0 19 -4,-2.9 28,-0.3 28,-0.2 52,-0.2 0.581 110.4-113.8 -94.4 -7.4 37.0 27.9 5.7 230 240 A G < - 0 0 5 -4,-2.4 -1,-0.2 -5,-0.4 -3,-0.1 0.059 38.2 -65.3 92.6 154.2 37.9 31.3 4.2 231 241 A T - 0 0 28 24,-2.0 26,-0.1 1,-0.1 23,-0.0 -0.426 68.0 -86.5 -74.3 152.2 36.4 34.7 4.7 232 242 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.247 39.9-137.7 -60.9 144.3 32.8 35.1 3.5 233 243 A G > - 0 0 44 -3,-0.1 4,-2.3 1,-0.0 3,-0.3 -0.358 36.0 -87.5 -91.5 177.8 32.1 36.1 -0.1 234 244 A A H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 -1,-0.0 0.850 123.5 58.7 -52.6 -43.8 29.5 38.6 -1.4 235 245 A E H > S+ 0 0 105 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.914 111.3 38.2 -56.3 -51.9 26.8 36.0 -1.5 236 246 A L H >> S+ 0 0 8 -3,-0.3 3,-1.2 1,-0.2 4,-0.5 0.880 107.8 64.7 -71.7 -36.9 26.9 35.0 2.2 237 247 A L H >< S+ 0 0 27 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.921 98.3 55.6 -50.7 -46.2 27.5 38.6 3.3 238 248 A K H 3< S+ 0 0 172 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.754 101.2 58.2 -59.6 -26.4 24.0 39.6 2.1 239 249 A K H << S+ 0 0 59 -3,-1.2 2,-1.2 -4,-0.5 -1,-0.3 0.555 80.3 97.0 -82.3 -7.4 22.4 36.9 4.2 240 250 A I << - 0 0 0 -3,-1.8 -52,-0.2 -4,-0.5 6,-0.2 -0.716 58.1-167.9 -85.9 97.6 23.8 38.4 7.4 241 251 A S + 0 0 92 -2,-1.2 2,-0.6 -54,-0.9 -1,-0.2 0.812 62.7 90.8 -54.9 -35.2 20.9 40.4 8.6 242 252 A S > - 0 0 38 -55,-1.0 4,-3.3 1,-0.2 5,-0.3 -0.521 59.8-164.3 -70.6 113.5 23.0 42.2 11.2 243 253 A E H > S+ 0 0 135 -2,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.850 92.3 47.8 -64.8 -33.3 24.5 45.4 9.7 244 254 A S H > S+ 0 0 91 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.953 114.9 44.5 -72.6 -46.3 27.0 45.6 12.5 245 255 A A H > S+ 0 0 18 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.945 115.4 48.2 -59.2 -48.2 28.0 42.0 12.2 246 256 A R H X S+ 0 0 67 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.945 113.0 50.0 -57.0 -46.6 28.1 42.3 8.4 247 257 A N H X S+ 0 0 101 -4,-2.3 4,-0.6 -5,-0.3 -2,-0.2 0.885 109.3 49.6 -61.5 -42.1 30.2 45.4 8.9 248 258 A Y H >X S+ 0 0 76 -4,-3.0 3,-1.8 1,-0.2 4,-0.6 0.952 107.4 55.7 -63.5 -45.8 32.6 43.7 11.3 249 259 A I H >< S+ 0 0 9 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.911 103.6 55.4 -49.1 -46.0 33.1 40.8 8.9 250 260 A Q H 3< S+ 0 0 125 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.626 94.6 66.3 -68.3 -12.4 34.1 43.3 6.2 251 261 A S H << S+ 0 0 82 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.668 85.3 98.2 -80.7 -15.6 36.9 44.8 8.3 252 262 A L S << S- 0 0 32 -3,-1.7 2,-0.2 -4,-0.6 3,-0.1 -0.464 84.8-109.1 -79.0 142.5 38.7 41.5 8.1 253 263 A T - 0 0 124 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.471 45.6-107.3 -66.5 132.9 41.5 40.7 5.6 254 264 A Q - 0 0 164 -2,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.310 39.4-171.6 -64.5 144.2 40.2 38.3 3.1 255 265 A M - 0 0 64 -29,-0.1 -24,-2.0 -3,-0.1 2,-0.2 -0.999 18.2-127.9-137.3 139.9 41.5 34.7 3.3 256 266 A P - 0 0 112 0, 0.0 -26,-0.3 0, 0.0 2,-0.0 -0.521 40.0 -90.8 -84.6 156.7 41.0 31.8 0.9 257 267 A K - 0 0 100 -28,-0.3 -28,-0.2 -2,-0.2 -29,-0.1 -0.354 47.5-121.2 -60.8 141.3 39.8 28.4 2.2 258 268 A M - 0 0 59 -30,-2.5 2,-0.8 -31,-0.1 -1,-0.1 -0.397 27.0 -96.7 -82.8 165.2 42.6 26.1 3.2 259 269 A N > - 0 0 90 1,-0.2 3,-1.1 -2,-0.1 4,-0.5 -0.744 31.4-155.4 -82.4 111.7 43.4 22.7 1.7 260 270 A F G >> S+ 0 0 1 -2,-0.8 4,-3.1 1,-0.3 3,-0.8 0.796 90.6 61.1 -60.3 -31.2 41.7 20.2 4.1 261 271 A A G 34 S+ 0 0 51 1,-0.3 5,-0.3 2,-0.2 -1,-0.3 0.815 105.0 50.0 -66.8 -27.1 44.0 17.3 3.1 262 272 A N G <4 S+ 0 0 117 -3,-1.1 3,-0.3 3,-0.1 -1,-0.3 0.570 113.9 45.9 -86.4 -8.4 46.9 19.4 4.4 263 273 A V T <4 S+ 0 0 49 -3,-0.8 2,-1.1 -4,-0.5 -2,-0.2 0.860 116.0 40.9 -96.7 -48.7 45.0 20.1 7.7 264 274 A F S >< S- 0 0 8 -4,-3.1 3,-2.0 3,-0.1 -1,-0.2 -0.518 91.4-161.3 -98.0 66.9 43.9 16.6 8.5 265 275 A I T 3 + 0 0 132 -2,-1.1 -3,-0.1 -3,-0.3 -4,-0.1 -0.224 68.1 5.3 -55.3 127.7 47.1 14.9 7.5 266 276 A G T 3 S+ 0 0 78 -5,-0.3 -1,-0.3 1,-0.3 -4,-0.1 0.252 93.1 141.6 84.4 -10.6 46.9 11.2 6.8 267 277 A A < - 0 0 27 -3,-2.0 -1,-0.3 -6,-0.2 5,-0.1 -0.215 67.7 -82.9 -66.6 155.2 43.1 11.0 7.3 268 278 A N >> - 0 0 45 1,-0.2 4,-2.1 2,-0.1 3,-0.6 -0.291 39.0-130.8 -52.3 132.2 40.9 8.9 5.1 269 279 A P H 3> S+ 0 0 103 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.782 109.0 56.5 -60.6 -24.9 40.3 10.9 1.9 270 280 A L H 3> S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.845 105.8 49.5 -75.8 -31.1 36.6 10.2 2.3 271 281 A A H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.894 110.4 51.0 -71.3 -41.9 36.6 11.7 5.8 272 282 A V H X S+ 0 0 13 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.909 110.0 49.9 -60.8 -45.3 38.4 14.8 4.5 273 283 A D H X S+ 0 0 51 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.911 111.4 47.3 -61.5 -44.9 35.8 15.1 1.7 274 284 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-0.2 0.924 108.8 56.2 -65.4 -38.6 32.8 14.8 4.2 275 285 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 3,-0.3 0.924 105.0 51.5 -58.9 -42.8 34.5 17.4 6.5 276 286 A E H < S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.846 110.6 49.7 -63.4 -30.9 34.7 19.9 3.7 277 287 A K H < S+ 0 0 89 -4,-1.4 10,-2.0 -3,-0.2 3,-0.3 0.769 115.2 41.7 -80.5 -25.8 31.0 19.4 3.0 278 288 A M H < S+ 0 0 0 -4,-1.8 2,-1.3 -3,-0.3 -2,-0.2 0.855 108.7 59.4 -85.7 -39.1 30.0 19.8 6.7 279 289 A L S < S+ 0 0 4 -4,-3.0 2,-0.5 -5,-0.2 -1,-0.2 -0.400 70.7 138.3 -91.8 60.1 32.3 22.8 7.4 280 290 A V - 0 0 40 -2,-1.3 6,-0.2 -3,-0.3 5,-0.1 -0.908 51.3-141.7-104.1 127.9 30.9 25.2 4.9 281 291 A L S S+ 0 0 16 -2,-0.5 2,-0.8 -52,-0.2 -99,-0.2 0.911 88.1 70.4 -57.2 -46.0 30.5 28.8 6.1 282 292 A D S >> S- 0 0 11 1,-0.2 3,-2.3 -3,-0.1 4,-0.5 -0.632 74.0-154.7 -78.1 108.5 27.2 29.4 4.3 283 293 A S T 34 S+ 0 0 7 -2,-0.8 3,-0.4 1,-0.3 -1,-0.2 0.691 90.0 67.5 -57.5 -22.0 24.7 27.2 6.1 284 294 A D T 34 S+ 0 0 110 1,-0.2 -1,-0.3 -93,-0.0 -2,-0.1 0.768 105.3 44.2 -69.2 -23.7 22.5 27.1 3.0 285 295 A K T <4 S+ 0 0 114 -3,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.488 84.2 112.7-100.5 -4.3 25.3 25.0 1.4 286 296 A R S < S- 0 0 7 -4,-0.5 -8,-0.2 -3,-0.4 2,-0.1 -0.354 77.0-102.2 -67.3 150.7 26.2 22.6 4.1 287 297 A I - 0 0 18 -10,-2.0 2,-0.2 -13,-0.2 -1,-0.1 -0.430 39.1-127.9 -68.7 145.4 25.4 18.9 3.5 288 298 A T > - 0 0 39 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.506 22.9-104.8 -91.2 168.6 22.3 17.8 5.4 289 299 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -158,-0.2 0.915 121.3 49.4 -58.4 -46.5 22.1 14.7 7.7 290 300 A A H > S+ 0 0 50 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.913 112.6 46.6 -60.6 -47.5 20.2 12.7 5.1 291 301 A Q H >4 S+ 0 0 114 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.925 111.4 53.4 -61.5 -41.4 22.6 13.5 2.3 292 302 A A H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 6,-0.3 0.880 100.2 59.1 -61.8 -40.1 25.6 12.8 4.7 293 303 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.803 105.1 52.3 -57.1 -30.3 24.3 9.3 5.6 294 304 A A T << S+ 0 0 64 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.531 84.7 115.9 -84.6 -7.6 24.5 8.5 1.8 295 305 A H S X S- 0 0 20 -3,-1.6 3,-2.2 -4,-0.4 7,-0.1 -0.324 78.4-117.7 -64.3 142.8 28.2 9.7 1.6 296 306 A A G > S+ 0 0 59 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.717 106.5 77.6 -56.4 -19.9 30.7 7.0 0.6 297 307 A Y G 3 S+ 0 0 5 1,-0.3 3,-0.3 -27,-0.3 -1,-0.3 0.824 100.2 42.0 -59.8 -28.0 32.5 7.4 4.0 298 308 A F G X> S+ 0 0 0 -3,-2.2 3,-3.3 -6,-0.3 4,-3.2 0.216 73.5 121.6-104.6 16.2 29.7 5.4 5.6 299 309 A A T <4 S+ 0 0 79 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.793 73.3 59.1 -46.8 -34.2 29.3 2.7 2.9 300 310 A Q T 34 S+ 0 0 120 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.624 121.8 21.0 -73.8 -13.7 30.0 0.1 5.6 301 311 A Y T <4 S+ 0 0 63 -3,-3.3 -2,-0.2 -8,-0.1 -1,-0.2 0.603 90.2 116.6-127.0 -24.5 27.1 1.2 7.8 302 312 A H < + 0 0 59 -4,-3.2 -8,-0.1 -7,-0.1 5,-0.1 -0.286 27.0 163.5 -58.9 126.5 24.6 3.0 5.5 303 313 A D > - 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