==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-FEB-09 3GC7 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.SCAPIN,S.B.PATEL . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 64.2 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 . 45 12.9 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 . 24 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 28.7 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 3 2 1 1 0 0 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 1 2 0 1 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 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 0 246 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 28.2 -3.6 2.2 37.6 2 5 A R - 0 0 94 1,-0.1 3,-0.1 89,-0.0 89,-0.0 -0.639 360.0-128.6 -69.3 125.4 -1.6 4.7 39.7 3 6 A P - 0 0 63 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.200 25.7 -95.8 -66.2 167.1 1.5 2.7 40.9 4 7 A T - 0 0 83 2,-0.0 15,-2.6 0, 0.0 2,-0.3 -0.742 42.3-148.2 -82.1 133.4 2.5 2.7 44.6 5 8 A F E -A 18 0A 26 -2,-0.4 2,-0.3 13,-0.3 11,-0.0 -0.790 11.2-165.4-102.4 147.3 5.1 5.3 45.4 6 9 A Y E -A 17 0A 58 11,-2.6 11,-2.2 -2,-0.3 2,-0.3 -0.948 13.1-132.3-127.5 156.9 7.9 5.1 48.0 7 10 A R E +A 16 0A 147 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.806 26.2 160.4-112.4 144.2 10.1 7.9 49.4 8 11 A Q E -A 15 0A 56 7,-1.9 7,-3.5 -2,-0.3 2,-0.5 -0.975 31.9-126.4-153.7 153.3 13.8 8.2 50.0 9 12 A E E -A 14 0A 138 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.873 23.8-177.9-101.9 129.7 16.2 11.1 50.6 10 13 A L E > S-A 13 0A 24 3,-3.1 3,-1.3 -2,-0.5 15,-0.1 -0.965 72.9 -22.7-131.4 116.4 19.3 11.3 48.4 11 14 A N T 3 S- 0 0 119 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.947 129.2 -47.2 42.7 58.9 21.9 14.1 49.0 12 15 A K T 3 S+ 0 0 87 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.505 117.5 109.7 67.7 8.8 19.2 16.2 50.7 13 16 A T E < -A 10 0A 33 -3,-1.3 -3,-3.1 2,-0.0 2,-0.5 -0.954 64.7-132.7-114.4 134.1 16.5 15.7 48.0 14 17 A I E -A 9 0A 65 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.721 19.1-163.5 -81.4 125.9 13.4 13.7 48.6 15 18 A W E -A 8 0A 2 -7,-3.5 -7,-1.9 -2,-0.5 2,-0.6 -0.970 6.9-174.0-109.4 121.3 12.6 11.3 45.8 16 19 A E E +A 7 0A 50 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.953 24.4 157.5-115.0 109.2 9.1 9.9 45.6 17 20 A V E -A 6 0A 2 -11,-2.2 -11,-2.6 -2,-0.6 -2,-0.0 -0.889 46.3 -84.8-134.1 154.9 9.0 7.3 42.9 18 21 A P E > -A 5 0A 2 0, 0.0 3,-2.2 0, 0.0 -13,-0.3 -0.348 43.8-114.0 -56.6 142.6 7.0 4.2 41.8 19 22 A E T 3 S+ 0 0 111 -15,-2.6 22,-0.1 1,-0.3 -14,-0.1 0.729 109.9 75.7 -47.4 -31.0 8.0 0.9 43.4 20 23 A R T 3 S+ 0 0 63 -16,-0.2 21,-2.7 20,-0.1 2,-0.6 0.833 82.6 77.9 -53.0 -31.7 9.2 -0.4 40.0 21 24 A Y E < +B 40 0B 1 -3,-2.2 2,-0.2 19,-0.2 19,-0.2 -0.730 66.4 168.3 -89.8 118.4 12.3 1.9 40.3 22 25 A Q E +B 39 0B 71 17,-2.7 17,-2.8 -2,-0.6 -2,-0.0 -0.745 45.0 34.0-125.2 167.1 14.9 0.4 42.6 23 26 A N E S- 0 0 110 -2,-0.2 -1,-0.2 15,-0.2 2,-0.2 0.880 70.6-168.8 55.6 45.8 18.5 1.0 43.6 24 27 A L E + 0 0 16 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.445 9.1 177.1 -64.9 133.0 18.4 4.8 43.2 25 28 A S E -B 37 0B 55 12,-2.2 12,-2.9 -2,-0.2 -15,-0.1 -0.975 29.6-115.7-142.4 126.6 21.8 6.4 43.4 26 29 A P E +B 36 0B 51 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.256 29.4 173.9 -61.1 143.1 22.6 10.1 42.9 27 30 A V E - 0 0 93 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.638 62.0 -41.1-113.5 -35.3 24.6 11.2 39.9 28 31 A G E -B 35 0B 21 7,-1.7 7,-3.1 2,-0.0 -1,-0.4 -0.970 42.5-145.0 179.5 166.2 24.3 15.0 40.4 29 32 A S E +B 34 0B 68 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.967 28.8 129.8-141.1 156.7 22.3 18.1 41.2 30 33 A G E > S-B 33 0B 36 3,-2.4 3,-1.3 -2,-0.3 -2,-0.0 -0.917 74.2 -50.9-173.5-158.5 22.2 21.8 40.0 31 34 A A T 3 S+ 0 0 106 -2,-0.3 22,-0.2 1,-0.3 3,-0.1 0.753 128.6 63.9 -66.3 -25.0 19.8 24.5 38.8 32 35 A Y T 3 S- 0 0 115 1,-0.3 21,-0.5 20,-0.1 2,-0.3 0.659 117.4-107.2 -67.3 -20.1 18.5 21.9 36.2 33 36 A G E < -BC 30 52B 0 -3,-1.3 -3,-2.4 19,-0.2 2,-0.4 -0.944 48.7 -51.1 122.1-150.5 17.3 19.7 39.1 34 37 A S E -BC 29 51B 7 17,-1.8 17,-2.9 -2,-0.3 2,-0.4 -0.974 41.6-156.4-131.3 144.4 18.7 16.4 40.3 35 38 A V E +BC 28 50B 30 -7,-3.1 -8,-2.9 -2,-0.4 -7,-1.7 -0.965 12.1 176.4-122.4 136.5 19.6 13.2 38.5 36 39 A C E -BC 26 49B 1 13,-2.1 13,-2.7 -2,-0.4 2,-0.3 -0.936 25.5-127.9-126.5 159.4 19.8 9.6 39.8 37 40 A A E +BC 25 48B 8 -12,-2.9 -12,-2.2 -2,-0.3 2,-0.3 -0.798 37.2 165.2 -96.5 148.9 20.5 6.3 38.3 38 41 A A E - C 0 47B 0 9,-2.7 9,-2.7 -2,-0.3 2,-0.5 -0.939 37.0-113.4-150.9 174.0 18.1 3.5 38.9 39 42 A F E -BC 22 46B 63 -17,-2.8 -17,-2.7 -2,-0.3 2,-1.0 -0.981 21.4-145.6-115.9 123.7 17.0 0.0 37.8 40 43 A D E >>> -BC 21 45B 2 5,-2.9 4,-2.6 -2,-0.5 5,-0.6 -0.778 10.7-168.4 -87.3 101.5 13.5 -0.3 36.3 41 44 A T T 345S+ 0 0 80 -21,-2.7 -1,-0.2 -2,-1.0 -20,-0.1 0.751 82.0 60.4 -65.5 -21.0 12.4 -3.7 37.5 42 45 A K T 345S+ 0 0 157 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.869 121.8 18.7 -72.7 -37.8 9.4 -3.6 35.0 43 46 A T T <45S- 0 0 73 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.580 97.1-123.6-109.2 -15.9 11.5 -3.4 31.8 44 47 A G T <5 + 0 0 45 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.609 65.2 139.8 75.0 14.6 14.9 -4.5 33.0 45 48 A L E < -C 40 0B 60 -5,-0.6 -5,-2.9 59,-0.0 2,-0.5 -0.693 57.5-127.8 -90.7 140.8 16.4 -1.3 31.9 46 49 A R E -C 39 0B 104 -2,-0.3 59,-2.1 -7,-0.2 2,-0.3 -0.766 43.5-168.1 -77.4 127.6 19.0 0.7 33.7 47 50 A V E -CD 38 104B 0 -9,-2.7 -9,-2.7 -2,-0.5 2,-0.4 -0.811 27.5-142.7-124.7 159.9 17.5 4.2 33.8 48 51 A A E -CD 37 103B 17 55,-2.6 55,-2.8 -2,-0.3 2,-0.4 -0.984 20.6-160.3-118.3 134.2 18.4 7.8 34.6 49 52 A V E -CD 36 102B 3 -13,-2.7 -13,-2.1 -2,-0.4 2,-0.5 -0.967 3.2-159.9-120.3 128.2 15.7 9.9 36.4 50 53 A K E -CD 35 101B 38 51,-2.9 51,-2.5 -2,-0.4 2,-0.7 -0.940 3.3-158.8-109.4 121.6 15.6 13.7 36.4 51 54 A K E -CD 34 100B 27 -17,-2.9 -17,-1.8 -2,-0.5 49,-0.2 -0.872 25.1-127.7 -95.5 115.2 13.6 15.4 39.1 52 55 A L E -C 33 0B 11 47,-2.7 2,-0.5 -2,-0.7 47,-0.3 -0.386 17.3-125.8 -67.7 139.2 12.8 18.9 38.0 53 56 A S S S- 0 0 61 -21,-0.5 -1,-0.1 1,-0.2 45,-0.1 -0.755 75.7 -31.6 -87.4 127.8 13.7 21.8 40.4 54 57 A R S > S- 0 0 186 -2,-0.5 3,-0.8 1,-0.1 -1,-0.2 0.863 74.4-173.1 29.7 82.1 10.9 24.1 41.2 55 58 A P T 3 S+ 0 0 1 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.708 72.6 35.2 -87.2 -8.3 9.3 23.7 37.9 56 59 A F T 3 S+ 0 0 16 41,-0.2 -2,-0.1 1,-0.1 6,-0.1 -0.043 76.0 119.0-126.3 31.8 6.5 26.3 38.1 57 60 A Q S < S+ 0 0 108 -3,-0.8 2,-0.3 2,-0.0 -1,-0.1 0.707 83.6 7.5 -77.5 -23.6 8.1 29.1 40.2 58 61 A S S > S- 0 0 34 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.929 80.8-102.4-145.6 168.1 7.8 31.8 37.5 59 62 A I H > S+ 0 0 83 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.933 123.3 50.0 -55.7 -47.9 6.2 32.2 34.1 60 63 A I H > S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 113.8 44.3 -59.1 -46.2 9.6 31.6 32.4 61 64 A H H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 111.8 52.3 -68.7 -40.9 10.3 28.4 34.4 62 65 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.909 112.4 45.8 -59.3 -44.3 6.7 27.0 34.0 63 66 A K H X S+ 0 0 28 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.865 111.1 53.4 -66.2 -38.0 7.0 27.5 30.2 64 67 A R H X S+ 0 0 107 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.888 108.7 49.4 -62.5 -41.2 10.5 25.9 30.3 65 68 A T H X S+ 0 0 11 -4,-2.4 4,-2.3 -10,-0.4 -2,-0.2 0.937 113.0 46.3 -63.7 -47.6 9.1 22.9 32.1 66 69 A Y H X S+ 0 0 12 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.933 111.6 52.6 -59.0 -47.5 6.3 22.5 29.5 67 70 A R H X S+ 0 0 41 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.908 110.7 46.4 -54.7 -48.1 8.8 23.0 26.7 68 71 A E H X S+ 0 0 27 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.927 113.1 48.4 -65.9 -45.7 11.1 20.2 28.0 69 72 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.928 112.3 49.5 -59.5 -46.0 8.3 17.7 28.6 70 73 A R H X S+ 0 0 38 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.916 113.9 45.6 -57.2 -47.0 6.8 18.4 25.1 71 74 A L H >X S+ 0 0 9 -4,-2.4 4,-1.4 -5,-0.2 3,-0.6 0.963 114.6 46.3 -63.7 -50.5 10.2 17.9 23.4 72 75 A L H 3< S+ 0 0 26 -4,-2.8 11,-1.0 1,-0.3 -2,-0.2 0.880 111.0 53.1 -63.0 -37.3 11.1 14.7 25.4 73 76 A K H 3< S+ 0 0 38 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.773 108.7 51.5 -65.8 -28.5 7.6 13.2 24.8 74 77 A H H << S+ 0 0 36 -4,-1.3 2,-0.6 -3,-0.6 244,-0.2 0.837 88.8 90.9 -76.1 -32.9 8.0 13.8 21.1 75 78 A M < + 0 0 3 -4,-1.4 8,-0.4 -3,-0.2 2,-0.4 -0.537 38.9 159.3 -81.9 113.7 11.4 12.1 20.6 76 79 A K + 0 0 160 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.748 31.8 113.3-132.3 85.2 11.2 8.4 19.8 77 80 A H B > -F 80 0C 20 3,-0.5 3,-1.9 -2,-0.4 5,-0.1 -0.987 68.8-120.3-157.9 141.6 14.5 7.4 18.1 78 81 A E T 3 S+ 0 0 119 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.745 113.4 44.1 -56.3 -30.5 17.5 5.2 19.0 79 82 A N T 3 S+ 0 0 7 83,-0.1 84,-2.5 51,-0.1 2,-0.4 0.151 104.5 72.9-105.4 18.7 20.0 8.1 18.8 80 83 A V B < S-Fg 77 163C 4 -3,-1.9 -3,-0.5 82,-0.3 2,-0.3 -0.998 84.1-115.4-134.5 133.4 17.9 10.7 20.7 81 84 A I + 0 0 11 82,-2.8 2,-0.2 -2,-0.4 -6,-0.2 -0.524 50.5 159.3 -66.4 122.8 17.2 10.9 24.5 82 85 A G - 0 0 12 -2,-0.3 2,-0.6 -8,-0.1 22,-0.3 -0.664 41.4 -70.5-131.7-171.5 13.4 10.4 24.9 83 86 A L + 0 0 18 -11,-1.0 20,-0.2 -8,-0.4 3,-0.1 -0.783 30.3 171.7 -99.1 120.0 11.0 9.4 27.6 84 87 A L S S- 0 0 25 18,-2.7 2,-0.3 -2,-0.6 19,-0.2 0.782 82.8 -14.1 -78.4 -32.2 10.7 5.9 29.0 85 88 A D E -E 102 0B 23 17,-1.4 17,-2.8 262,-0.1 -1,-0.3 -0.975 53.3-162.6-163.6 156.7 8.3 7.3 31.7 86 89 A V E +E 101 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.954 25.7 162.4-146.0 134.2 7.2 10.6 33.3 87 90 A F E -E 100 0B 12 13,-1.9 13,-2.5 -2,-0.3 256,-0.1 -0.973 26.6-160.3-149.1 162.8 5.4 10.7 36.6 88 91 A T - 0 0 15 -2,-0.3 11,-0.1 2,-0.2 -71,-0.1 -0.981 23.3-138.8-139.6 141.9 4.3 12.8 39.6 89 92 A P S S+ 0 0 16 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.649 74.4 111.0 -71.7 -13.1 3.4 11.5 43.0 90 93 A A - 0 0 11 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.283 55.4-160.8 -63.4 142.4 0.5 14.1 43.0 91 94 A R S S+ 0 0 174 1,-0.1 2,-0.3 -89,-0.0 -1,-0.1 0.522 73.3 26.8-102.3 -6.9 -3.0 12.9 42.7 92 95 A S S > S- 0 0 38 1,-0.1 4,-0.7 0, 0.0 3,-0.3 -0.957 80.8-109.4-146.8 160.9 -4.6 16.1 41.5 93 96 A L T >4 S+ 0 0 47 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.875 116.4 61.9 -55.7 -38.4 -3.6 19.3 39.5 94 97 A E T 34 S+ 0 0 154 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.882 110.5 35.7 -60.7 -40.6 -4.0 21.2 42.8 95 98 A E T 34 S+ 0 0 107 -3,-0.3 2,-0.4 2,-0.0 -1,-0.2 0.446 89.4 122.4 -93.9 1.5 -1.2 19.2 44.5 96 99 A F << + 0 0 0 -3,-0.7 3,-0.1 -4,-0.7 243,-0.1 -0.485 18.6 125.2 -65.5 114.5 0.9 18.9 41.3 97 100 A N + 0 0 88 -2,-0.4 2,-0.4 1,-0.2 -41,-0.2 0.328 53.7 67.2-151.6 10.2 4.4 20.5 41.9 98 101 A D - 0 0 55 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.998 52.9-167.0-135.1 138.6 7.0 17.8 41.0 99 102 A V - 0 0 0 -2,-0.4 -47,-2.7 -47,-0.3 2,-0.5 -0.994 3.2-165.6-126.2 127.4 7.9 16.3 37.6 100 103 A Y E -DE 51 87B 2 -13,-2.5 -13,-1.9 -2,-0.4 2,-0.5 -0.955 4.3-162.3-114.2 131.6 10.1 13.2 37.2 101 104 A L E -DE 50 86B 8 -51,-2.5 -51,-2.9 -2,-0.5 2,-0.5 -0.951 4.6-161.5-117.9 122.6 11.5 12.3 33.8 102 105 A V E +DE 49 85B 0 -17,-2.8 -18,-2.7 -2,-0.5 -17,-1.4 -0.894 21.5 147.7-110.6 131.5 12.9 8.8 33.1 103 106 A T E -D 48 0B 22 -55,-2.8 -55,-2.6 -2,-0.5 -20,-0.1 -0.810 50.8 -57.1-144.2-178.0 15.2 7.8 30.3 104 107 A H E -D 47 0B 62 -22,-0.3 2,-0.7 -2,-0.2 -57,-0.3 -0.414 46.0-126.5 -64.8 140.9 18.0 5.4 29.4 105 108 A L + 0 0 54 -59,-2.1 -59,-0.2 1,-0.2 -1,-0.1 -0.822 37.1 164.1 -86.5 115.1 21.1 5.4 31.6 106 109 A M - 0 0 27 -2,-0.7 51,-0.2 50,-0.1 -1,-0.2 0.788 31.3-150.6 -97.2 -45.4 24.0 5.8 29.2 107 110 A G + 0 0 69 -3,-0.2 2,-0.3 49,-0.1 49,-0.1 0.208 61.0 39.4 102.4 -13.4 26.4 6.7 32.0 108 111 A A E -H 155 0C 30 47,-0.6 47,-2.7 4,-0.0 2,-0.3 -0.973 65.6-132.3-153.2 161.5 28.9 9.0 30.2 109 112 A D E > -H 154 0C 48 -2,-0.3 4,-1.3 45,-0.3 45,-0.2 -0.842 33.7-109.2-112.8 164.1 29.1 11.8 27.7 110 113 A L H > S+ 0 0 3 43,-2.3 4,-2.6 40,-1.0 5,-0.3 0.829 116.2 54.9 -60.3 -34.3 31.5 12.0 24.8 111 114 A N H > S+ 0 0 55 39,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.936 106.0 50.0 -64.5 -47.3 33.5 14.8 26.3 112 115 A N H 4 S+ 0 0 106 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.784 120.0 37.8 -62.4 -27.6 34.2 13.0 29.6 113 116 A I H < S+ 0 0 88 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.904 127.9 21.0 -92.1 -48.3 35.4 9.9 27.7 114 117 A V H >< S+ 0 0 15 -4,-2.6 3,-2.2 -5,-0.2 -3,-0.2 0.295 75.1 140.0-113.9 8.7 37.4 11.1 24.6 115 118 A K T 3< S+ 0 0 96 -4,-1.5 3,-0.1 1,-0.3 102,-0.1 -0.257 81.8 9.4 -52.5 137.9 38.5 14.7 25.3 116 119 A C T 3 S+ 0 0 86 1,-0.2 2,-0.4 100,-0.1 -1,-0.3 0.502 107.2 116.0 70.5 6.5 42.1 15.2 24.1 117 120 A Q < - 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0 0 35 -2,-0.4 -9,-0.1 1,-0.1 -33,-0.0 -0.361 28.6-144.2 -56.4 134.9 39.3 21.5 19.5 219 222 A L S S+ 0 0 34 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.947 89.0 14.3 -73.0 -49.9 38.7 22.8 16.0 220 223 A F + 0 0 4 -36,-0.3 2,-2.5 2,-0.1 -1,-0.2 -0.537 69.5 171.9-126.6 70.0 37.9 26.5 16.9 221 224 A P - 0 0 38 0, 0.0 -40,-0.1 0, 0.0 -3,-0.0 -0.392 20.7-175.5 -79.3 66.2 39.1 27.0 20.5 222 225 A G - 0 0 0 -2,-2.5 -42,-0.4 1,-0.1 -39,-0.1 -0.322 31.6-143.2 -65.7 144.6 38.5 30.7 20.5 223 226 A T S S- 0 0 76 -44,-0.2 2,-0.3 1,-0.1 -44,-0.2 0.568 85.8 -12.1 -80.4 -11.9 39.5 32.9 23.5 224 227 A D S > S- 0 0 65 -47,-0.1 4,-2.7 -46,-0.1 5,-0.2 -0.937 89.5 -77.3-171.9 175.5 36.4 35.1 22.8 225 228 A H H > S+ 0 0 62 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.875 127.4 43.4 -53.4 -45.0 33.8 35.6 20.1 226 229 A I H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 113.1 49.9 -74.7 -44.4 36.1 37.7 17.8 227 230 A D H > S+ 0 0 49 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 112.1 50.4 -58.1 -42.9 39.1 35.4 18.2 228 231 A Q H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.906 107.5 52.3 -63.0 -42.6 36.9 32.5 17.4 229 232 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.938 108.8 51.4 -58.6 -44.4 35.5 34.2 14.3 230 233 A K H X S+ 0 0 109 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.883 109.5 49.7 -59.3 -41.4 39.1 34.8 13.2 231 234 A L H X S+ 0 0 65 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.911 113.1 47.8 -60.0 -45.0 40.0 31.1 13.7 232 235 A I H >X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 3,-0.5 0.950 112.0 47.0 -62.8 -50.0 36.9 30.1 11.7 233 236 A L H 3X S+ 0 0 1 -4,-3.0 4,-1.8 1,-0.3 -1,-0.2 0.812 104.5 61.6 -68.9 -29.3 37.5 32.5 8.8 234 237 A R H 3< S+ 0 0 151 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.897 114.3 35.8 -59.6 -39.1 41.2 31.4 8.5 235 238 A L H << S+ 0 0 11 -4,-1.2 30,-2.9 -3,-0.5 -2,-0.2 0.938 130.2 27.9 -77.4 -50.5 39.9 27.9 7.8 236 239 A V H < S- 0 0 17 -4,-2.6 28,-0.4 28,-0.2 52,-0.3 0.449 109.2-112.9 -99.7 -2.2 36.8 28.5 5.7 237 240 A G < - 0 0 3 -4,-1.8 -1,-0.2 26,-0.4 -2,-0.1 0.069 38.2 -67.5 88.6 155.6 37.6 31.8 4.1 238 241 A T - 0 0 24 24,-2.1 26,-0.1 1,-0.1 50,-0.1 -0.416 68.8 -81.3 -71.9 157.0 36.1 35.2 4.6 239 242 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.303 42.5-138.6 -61.2 140.2 32.5 35.7 3.3 240 243 A G > - 0 0 43 -3,-0.1 4,-2.4 1,-0.0 3,-0.2 -0.345 35.8 -88.1 -83.8 178.9 31.8 36.4 -0.4 241 244 A A H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.846 124.4 56.2 -54.4 -42.6 29.3 38.9 -1.8 242 245 A E H > S+ 0 0 101 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.908 112.6 40.4 -60.5 -46.1 26.5 36.3 -1.8 243 246 A L H >> S+ 0 0 9 -3,-0.2 4,-0.8 1,-0.2 3,-0.6 0.875 107.9 61.1 -73.4 -37.4 26.8 35.6 1.9 244 247 A L H >< S+ 0 0 23 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.897 102.0 54.1 -55.7 -41.0 27.4 39.2 2.9 245 248 A K H 3< S+ 0 0 173 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.812 104.0 55.4 -60.8 -33.9 24.0 40.1 1.5 246 249 A K H << S+ 0 0 55 -4,-0.7 2,-1.2 -3,-0.6 -1,-0.2 0.598 81.8 95.8 -78.5 -13.8 22.4 37.4 3.7 247 250 A I << - 0 0 0 -3,-1.0 -52,-0.2 -4,-0.8 6,-0.1 -0.692 55.6-176.8 -77.5 98.9 23.9 38.9 6.8 248 251 A S + 0 0 83 -2,-1.2 2,-0.7 -54,-0.9 -53,-0.2 0.649 55.5 94.0 -78.2 -16.0 20.8 41.0 7.8 249 252 A S > - 0 0 31 -55,-1.7 4,-2.7 1,-0.2 5,-0.2 -0.713 62.4-160.4 -79.4 113.1 22.6 42.5 10.7 250 253 A E H > S+ 0 0 134 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.872 90.4 49.2 -61.3 -41.7 24.1 45.8 9.5 251 254 A S H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 113.2 46.0 -65.7 -46.5 26.6 46.1 12.3 252 255 A A H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.917 112.9 50.2 -62.9 -44.8 27.8 42.5 11.8 253 256 A R H X S+ 0 0 70 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.917 109.8 51.7 -58.7 -46.4 28.0 43.0 8.0 254 257 A N H < S+ 0 0 108 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.880 111.1 47.6 -57.1 -43.5 30.0 46.2 8.6 255 258 A Y H >< S+ 0 0 75 -4,-2.0 3,-1.9 1,-0.2 4,-0.4 0.935 107.4 54.3 -66.0 -48.4 32.5 44.4 10.9 256 259 A I H >< S+ 0 0 7 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.878 104.8 56.1 -52.7 -39.8 33.1 41.4 8.6 257 260 A Q T 3< S+ 0 0 127 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.560 94.0 67.6 -75.1 -8.7 34.0 43.7 5.7 258 261 A S T < S+ 0 0 80 -3,-1.9 -1,-0.3 -4,-0.3 2,-0.3 0.631 85.5 94.1 -79.8 -14.1 36.7 45.3 7.9 259 262 A L S < S- 0 0 38 -3,-1.5 2,-0.1 -4,-0.4 3,-0.1 -0.573 87.1-107.8 -87.0 140.7 38.6 42.0 7.7 260 263 A T - 0 0 122 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.432 46.0-106.6 -59.3 132.1 41.3 41.3 5.2 261 264 A Q - 0 0 163 -2,-0.1 -1,-0.1 -4,-0.1 -21,-0.0 -0.352 40.6-173.1 -66.5 142.7 39.9 38.7 2.7 262 265 A M - 0 0 61 -29,-0.1 -24,-2.1 -3,-0.1 2,-0.1 -0.998 19.3-125.7-137.1 140.2 41.3 35.2 3.0 263 266 A P - 0 0 111 0, 0.0 -26,-0.4 0, 0.0 2,-0.0 -0.496 39.7 -90.0 -81.0 156.1 40.7 32.1 0.8 264 267 A K - 0 0 99 -28,-0.4 -28,-0.2 -2,-0.1 -29,-0.1 -0.370 49.3-118.9 -55.5 137.4 39.4 28.8 2.2 265 268 A M - 0 0 58 -30,-2.9 2,-0.7 -31,-0.2 -1,-0.1 -0.323 25.7 -97.9 -75.9 163.4 42.3 26.5 3.3 266 269 A N >> - 0 0 89 1,-0.2 3,-1.1 -2,-0.1 4,-0.5 -0.786 30.1-158.1 -81.3 110.4 43.1 23.1 1.8 267 270 A F H 3> S+ 0 0 0 -2,-0.7 4,-3.2 1,-0.3 3,-0.4 0.749 89.9 63.9 -66.4 -23.8 41.5 20.7 4.3 268 271 A A H 34 S+ 0 0 52 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.812 105.5 45.5 -68.1 -28.2 43.9 17.9 3.2 269 272 A N H <4 S+ 0 0 113 -3,-1.1 3,-0.3 3,-0.1 -1,-0.2 0.532 116.1 46.3 -89.9 -8.8 46.7 20.0 4.5 270 273 A V H < S+ 0 0 52 -4,-0.5 2,-1.1 -3,-0.4 -2,-0.2 0.862 117.1 40.2 -92.4 -52.1 44.9 20.7 7.7 271 274 A F S >< S- 0 0 10 -4,-3.2 3,-2.1 -5,-0.1 -1,-0.2 -0.495 88.7-167.0 -96.7 62.0 43.7 17.2 8.5 272 275 A I T 3 + 0 0 133 -2,-1.1 -3,-0.1 1,-0.3 -4,-0.1 -0.260 68.6 8.1 -57.8 126.3 46.9 15.5 7.4 273 276 A G T 3 S+ 0 0 83 -5,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.396 93.5 137.6 85.4 -1.6 46.6 11.8 7.1 274 277 A A < - 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