==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-JUN-09 3HV3 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GRUETTER,J.R.SIMARD,M.GETLIK,D.RAUH . 335 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 63.6 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 . 39 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 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 . 23 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 29.0 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 4 0 0 1 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 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 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 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.8 -24.6 4.5 -4.5 2 5 A R - 0 0 93 1,-0.1 2,-0.1 87,-0.1 3,-0.0 0.039 360.0-128.2 -34.2 130.5 -24.2 2.2 -7.5 3 6 A P - 0 0 67 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.386 31.2 -88.5 -75.8 165.8 -24.2 4.0 -10.8 4 7 A T - 0 0 85 -2,-0.1 15,-2.5 1,-0.0 16,-0.3 -0.643 46.7-156.5 -73.3 128.5 -26.5 3.1 -13.8 5 8 A F E -A 18 0A 22 -2,-0.4 2,-0.4 13,-0.3 11,-0.1 -0.690 4.6-154.0 -99.4 158.2 -24.8 0.5 -16.0 6 9 A Y E -A 17 0A 59 11,-2.1 11,-1.6 -2,-0.3 2,-0.2 -1.000 9.4-140.9-131.7 139.1 -25.5 -0.2 -19.6 7 10 A R E +A 16 0A 163 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.630 28.0 155.3 -95.0 157.1 -24.9 -3.5 -21.4 8 11 A Q E -A 15 0A 78 7,-0.9 7,-2.1 -2,-0.2 2,-0.5 -0.916 36.3-119.6-170.9 154.4 -23.6 -3.9 -24.9 9 12 A E E +A 14 0A 159 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.934 32.8 173.0-111.9 123.5 -21.8 -6.7 -26.9 10 13 A L E > -A 13 0A 16 3,-2.9 3,-2.7 -2,-0.5 -2,-0.1 -0.949 59.1 -14.4-127.0 150.4 -18.4 -6.1 -28.4 11 14 A N T 3 S- 0 0 74 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.592 126.8 -48.4 37.3 33.0 -15.8 -8.4 -30.1 12 15 A K T 3 S+ 0 0 196 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.706 123.9 95.7 87.0 25.4 -17.4 -11.7 -29.0 13 16 A T E < S-A 10 0A 36 -3,-2.7 -3,-2.9 2,-0.0 -1,-0.2 -0.996 72.2-120.1-155.7 131.5 -17.7 -10.4 -25.4 14 17 A I E -A 9 0A 89 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.435 23.3-164.8 -72.6 152.2 -20.3 -8.7 -23.1 15 18 A W E +A 8 0A 1 -7,-2.1 -7,-0.9 -2,-0.1 2,-0.5 -0.944 11.9 176.9-142.1 115.5 -19.6 -5.3 -21.5 16 19 A E E +A 7 0A 29 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.938 23.2 156.1-121.5 108.4 -21.6 -3.8 -18.6 17 20 A V E -A 6 0A 1 -11,-1.6 -11,-2.1 -2,-0.5 -2,-0.0 -0.851 48.4 -85.7-131.8 152.4 -20.1 -0.5 -17.5 18 21 A P E > -A 5 0A 6 0, 0.0 3,-2.7 0, 0.0 -13,-0.3 -0.369 40.9-116.7 -58.0 144.5 -21.3 2.7 -15.8 19 22 A E T 3 S+ 0 0 108 -15,-2.5 20,-0.1 1,-0.3 -14,-0.1 0.678 109.5 83.2 -58.0 -18.5 -22.9 5.3 -18.2 20 23 A R T 3 S+ 0 0 46 -16,-0.3 19,-2.6 1,-0.1 2,-0.6 0.731 83.8 65.9 -48.5 -30.7 -20.0 7.4 -17.1 21 24 A Y E < S+B 38 0B 0 -3,-2.7 2,-0.2 17,-0.2 3,-0.2 -0.907 73.7 178.5-107.1 114.2 -18.0 5.5 -19.8 22 25 A Q E +B 37 0B 68 15,-2.3 15,-2.7 -2,-0.6 -2,-0.0 -0.711 49.0 24.5-116.1 161.0 -19.1 6.2 -23.4 23 26 A N E S- 0 0 129 -2,-0.2 -1,-0.2 13,-0.2 2,-0.1 0.859 71.1-161.9 58.4 43.4 -18.2 5.2 -26.9 24 27 A L E + 0 0 14 -3,-0.2 12,-0.2 12,-0.1 -1,-0.2 -0.359 12.6 178.6 -58.6 125.4 -16.5 1.9 -26.0 25 28 A S E -B 35 0B 65 10,-2.6 10,-3.4 -2,-0.1 -15,-0.0 -0.986 28.0-115.6-135.8 129.4 -14.2 0.7 -28.8 26 29 A P E +B 34 0B 52 0, 0.0 8,-0.3 0, 0.0 3,-0.1 -0.200 26.4 178.2 -66.8 147.7 -12.1 -2.4 -28.7 27 30 A V E - 0 0 90 6,-3.0 2,-0.2 1,-0.4 7,-0.2 0.163 53.8 -89.9-130.4 14.9 -8.3 -2.2 -28.9 28 31 A G E B 33 0B 37 5,-0.6 5,-2.3 1,-0.0 -1,-0.4 -0.624 360.0 360.0 117.2-170.7 -7.4 -5.9 -28.6 29 32 A S 0 0 140 3,-0.2 3,-0.3 -2,-0.2 19,-0.0 -0.850 360.0 360.0-107.6 360.0 -6.7 -8.7 -26.1 30 ! 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 31 36 A G 0 0 43 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0-124.1 -8.3 -10.1 -20.9 32 37 A S E - C 0 49B 13 17,-1.7 17,-3.1 -3,-0.3 2,-0.4 -0.952 360.0-149.1-133.1 155.8 -9.7 -7.6 -23.5 33 38 A V E -BC 28 48B 29 -5,-2.3 -6,-3.0 -2,-0.3 -5,-0.6 -0.962 7.9-167.3-133.2 131.5 -9.7 -3.8 -23.7 34 39 A C E -BC 26 47B 0 13,-2.5 13,-3.5 -2,-0.4 2,-0.3 -0.964 22.3-131.2-112.0 141.2 -11.9 -1.0 -25.0 35 40 A A E +BC 25 46B 13 -10,-3.4 -10,-2.6 -2,-0.4 2,-0.3 -0.647 40.1 172.2 -70.9 141.9 -11.0 2.6 -25.5 36 41 A A E - C 0 45B 5 9,-2.4 9,-3.1 -2,-0.3 2,-0.6 -0.958 36.2-113.2-148.3 167.0 -13.7 4.9 -23.9 37 42 A F E -BC 22 44B 85 -15,-2.7 -15,-2.3 -2,-0.3 2,-1.3 -0.928 21.7-144.5-103.1 121.4 -14.6 8.4 -23.0 38 43 A D E >> -B 21 0B 0 5,-2.9 4,-2.9 -2,-0.6 3,-0.6 -0.709 14.1-168.0 -82.7 97.9 -14.8 9.2 -19.3 39 44 A T T 34 S+ 0 0 78 -19,-2.6 -1,-0.2 -2,-1.3 -18,-0.1 0.785 82.0 56.9 -58.5 -25.4 -17.7 11.7 -19.5 40 45 A K T 34 S+ 0 0 134 -20,-0.5 -1,-0.2 1,-0.1 -19,-0.1 0.885 122.1 19.2 -73.8 -40.3 -17.0 12.6 -15.9 41 46 A T T <4 S- 0 0 33 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.619 96.7-121.5-111.5 -17.2 -13.3 13.6 -16.2 42 47 A G < + 0 0 39 -4,-2.9 -3,-0.1 1,-0.3 -2,-0.0 0.119 66.8 134.0 95.7 -17.8 -13.0 14.3 -19.9 43 48 A L - 0 0 63 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.5 -0.253 60.8-123.2 -73.0 145.7 -10.2 11.7 -20.3 44 49 A R E -C 37 0B 174 -7,-0.2 59,-1.9 59,-0.1 2,-0.3 -0.770 43.9-167.1 -78.0 130.0 -9.8 9.0 -22.9 45 50 A V E -CD 36 102B 0 -9,-3.1 -9,-2.4 -2,-0.5 2,-0.5 -0.820 27.0-134.6-120.3 157.9 -9.6 5.7 -21.0 46 51 A A E -CD 35 101B 13 55,-3.0 55,-2.1 -2,-0.3 2,-0.6 -0.964 20.2-160.5-102.7 128.9 -8.7 2.1 -21.5 47 52 A V E -CD 34 100B 0 -13,-3.5 -13,-2.5 -2,-0.5 2,-0.6 -0.966 6.6-161.5-108.5 116.2 -11.3 -0.2 -19.8 48 53 A K E -CD 33 99B 50 51,-2.7 51,-2.4 -2,-0.6 2,-0.7 -0.913 4.7-155.5-100.6 116.0 -9.8 -3.7 -19.3 49 54 A K E -CD 32 98B 31 -17,-3.1 -17,-1.7 -2,-0.6 49,-0.2 -0.824 25.4-124.8 -87.8 115.7 -12.3 -6.5 -18.8 50 55 A L - 0 0 11 47,-2.5 2,-0.7 -2,-0.7 47,-0.2 -0.323 21.2-119.4 -63.2 143.9 -10.5 -9.3 -16.8 51 56 A S S S- 0 0 67 1,-0.2 4,-0.2 2,-0.1 -1,-0.1 -0.759 77.1 -35.5 -89.1 111.7 -10.6 -12.7 -18.5 52 57 A R S > S- 0 0 171 -2,-0.7 3,-1.4 1,-0.1 -1,-0.2 0.900 74.7-173.4 44.3 61.3 -12.3 -15.4 -16.4 53 58 A P T 3 S+ 0 0 6 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.750 77.2 37.2 -64.3 -28.5 -10.9 -13.8 -13.2 54 59 A F T 3 S+ 0 0 23 41,-0.3 -2,-0.1 1,-0.1 268,-0.1 -0.076 79.7 117.8-116.2 36.0 -12.1 -16.5 -10.8 55 60 A Q S < S- 0 0 93 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.1 0.719 87.0 -12.2 -69.0 -26.0 -11.5 -19.5 -13.1 56 61 A S S > S- 0 0 33 -3,-0.2 4,-3.0 -4,-0.2 5,-0.2 -0.917 79.7 -89.3-169.0 168.3 -9.0 -21.1 -10.8 57 62 A I H > S+ 0 0 73 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.794 126.5 53.4 -69.7 -26.8 -6.9 -20.3 -7.8 58 63 A I H > S+ 0 0 103 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.935 113.9 41.1 -69.9 -47.2 -4.1 -19.0 -10.1 59 64 A H H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.926 115.8 50.4 -62.6 -48.2 -6.6 -16.7 -11.9 60 65 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.904 113.6 44.8 -60.7 -41.2 -8.3 -15.7 -8.6 61 66 A K H X S+ 0 0 51 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.847 113.4 50.7 -66.6 -40.5 -5.0 -14.9 -6.9 62 67 A R H X S+ 0 0 142 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.848 109.5 50.6 -64.3 -40.5 -3.7 -13.0 -10.0 63 68 A T H X S+ 0 0 7 -4,-2.6 4,-2.1 -10,-0.4 -2,-0.2 0.911 113.6 45.6 -63.4 -49.6 -6.9 -10.9 -10.2 64 69 A Y H X S+ 0 0 3 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.923 113.7 49.7 -59.2 -46.7 -6.5 -10.0 -6.5 65 70 A R H X S+ 0 0 82 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.899 111.6 47.1 -62.8 -44.2 -2.8 -9.2 -6.9 66 71 A E H X S+ 0 0 49 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.928 114.5 46.7 -65.9 -43.1 -3.3 -7.0 -9.8 67 72 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.969 114.2 47.4 -64.1 -53.5 -6.1 -5.0 -8.2 68 73 A R H X S+ 0 0 34 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.922 115.8 45.7 -52.0 -48.3 -4.3 -4.7 -4.9 69 74 A L H >X S+ 0 0 27 -4,-2.6 4,-1.3 -5,-0.2 3,-0.6 0.929 111.7 48.1 -61.8 -52.2 -1.1 -3.5 -6.7 70 75 A L H 3< S+ 0 0 20 -4,-2.8 11,-0.8 1,-0.3 -1,-0.2 0.843 108.0 56.6 -61.9 -34.4 -2.7 -1.0 -9.1 71 76 A K H 3< S+ 0 0 34 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.797 111.1 45.6 -62.9 -29.8 -4.6 0.5 -6.2 72 77 A H H << S+ 0 0 71 -4,-1.0 2,-0.7 -3,-0.6 -2,-0.2 0.708 88.0 98.2 -91.0 -17.1 -1.3 1.1 -4.4 73 78 A M < + 0 0 16 -4,-1.3 2,-0.4 -3,-0.2 8,-0.4 -0.585 39.8 161.9 -80.1 112.7 0.7 2.6 -7.4 74 79 A K + 0 0 144 -2,-0.7 2,-0.3 6,-0.1 5,-0.1 -0.748 29.5 108.2-134.2 84.9 0.7 6.4 -7.2 75 80 A H > - 0 0 21 3,-0.4 3,-1.5 -2,-0.4 57,-0.0 -0.981 69.8-118.2-163.3 143.3 3.5 7.8 -9.4 76 81 A E T 3 S+ 0 0 127 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.697 112.7 43.8 -57.4 -29.9 3.9 9.6 -12.7 77 82 A N T 3 S+ 0 0 7 83,-0.1 84,-2.5 2,-0.1 2,-0.4 0.124 103.7 72.1-110.7 19.9 5.9 6.9 -14.3 78 83 A V B < S-f 161 0C 5 -3,-1.5 -3,-0.4 82,-0.3 84,-0.2 -0.986 91.8 -99.4-131.7 139.2 3.9 3.9 -13.2 79 84 A I - 0 0 25 82,-2.8 2,-0.3 -2,-0.4 -6,-0.1 -0.336 44.6-160.0 -54.6 136.9 0.4 2.9 -14.5 80 85 A G - 0 0 20 -4,-0.1 2,-0.7 -6,-0.1 22,-0.4 -0.806 18.5-111.0-119.4 160.8 -2.3 4.0 -12.1 81 86 A L + 0 0 13 -11,-0.8 20,-0.2 -8,-0.4 3,-0.1 -0.837 26.1 176.3 -91.9 120.6 -5.9 3.0 -11.5 82 87 A L S S- 0 0 16 18,-2.4 2,-0.3 -2,-0.7 19,-0.2 0.822 72.5 -16.0 -80.8 -36.2 -8.6 5.6 -12.4 83 88 A D E -E 100 0B 21 17,-1.4 17,-2.8 251,-0.1 2,-0.3 -0.985 49.4-160.9-165.1 156.4 -11.4 3.2 -11.5 84 89 A V E +E 99 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.968 25.9 164.6-143.7 134.2 -12.4 -0.3 -10.9 85 90 A F E -E 98 0B 14 13,-2.3 13,-2.5 -2,-0.3 245,-0.0 -0.965 25.7-159.5-147.4 163.7 -15.9 -1.6 -11.1 86 91 A T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 -69,-0.1 -0.978 22.7-138.9-137.7 141.2 -18.2 -4.6 -11.3 87 92 A P S S+ 0 0 16 0, 0.0 2,-0.3 0, 0.0 -82,-0.1 0.515 76.5 106.2 -73.1 -5.0 -21.8 -4.6 -12.5 88 93 A A - 0 0 13 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.567 57.5-160.6 -77.2 133.7 -22.6 -7.0 -9.6 89 94 A R S S+ 0 0 164 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.453 75.1 25.1 -95.3 3.7 -24.6 -5.5 -6.8 90 95 A S S > S- 0 0 36 1,-0.1 3,-0.7 0, 0.0 4,-0.4 -0.984 82.4-107.8-156.9 157.5 -23.6 -8.2 -4.3 91 96 A L G > S+ 0 0 55 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.822 115.7 63.2 -53.7 -33.3 -20.8 -10.8 -3.7 92 97 A E G 3 S+ 0 0 164 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.876 110.5 36.2 -67.2 -36.9 -23.2 -13.5 -4.7 93 98 A E G < S+ 0 0 97 -3,-0.7 2,-0.8 2,-0.0 -1,-0.3 0.307 89.6 124.9 -95.9 10.5 -23.5 -12.2 -8.2 94 99 A F < + 0 0 0 -3,-1.0 3,-0.1 -4,-0.4 232,-0.1 -0.584 16.1 124.8 -74.8 107.2 -19.8 -11.1 -8.4 95 100 A N + 0 0 88 -2,-0.8 2,-0.4 1,-0.2 -41,-0.3 0.529 55.3 65.7-129.4 -17.2 -18.1 -12.6 -11.4 96 101 A D - 0 0 52 -3,-0.2 2,-0.4 -44,-0.1 -8,-0.3 -0.914 50.4-168.8-122.7 139.3 -16.6 -9.7 -13.4 97 102 A V - 0 0 0 -2,-0.4 -47,-2.5 -47,-0.2 2,-0.4 -0.993 4.1-170.8-126.8 127.6 -13.9 -7.1 -12.8 98 103 A Y E -DE 49 85B 3 -13,-2.5 -13,-2.3 -2,-0.4 2,-0.4 -0.971 4.7-163.3-118.8 130.1 -13.2 -4.1 -14.9 99 104 A L E -DE 48 84B 5 -51,-2.4 -51,-2.7 -2,-0.4 2,-0.4 -0.860 5.7-156.1-110.3 143.6 -10.1 -1.9 -14.4 100 105 A V E +DE 47 83B 0 -17,-2.8 -18,-2.4 -2,-0.4 -17,-1.4 -0.987 20.9 156.3-126.3 134.1 -9.8 1.6 -15.9 101 106 A T E -D 46 0B 18 -55,-2.1 -55,-3.0 -2,-0.4 -20,-0.1 -0.870 50.9 -67.7-140.0 171.4 -6.7 3.4 -16.7 102 107 A H E -D 45 0B 68 -22,-0.4 -57,-0.2 -2,-0.3 2,-0.1 -0.400 59.7-108.9 -58.2 136.9 -5.4 6.3 -18.9 103 108 A L - 0 0 42 -59,-1.9 2,-0.5 -67,-0.1 -1,-0.1 -0.456 34.0-144.9 -68.1 141.9 -5.6 5.2 -22.6 104 109 A M - 0 0 55 1,-0.2 3,-0.1 -2,-0.1 50,-0.1 -0.947 13.2-162.7-119.8 134.5 -2.2 4.7 -24.0 105 110 A G - 0 0 75 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.997 66.4 -5.7 -66.9 -74.3 -1.1 5.5 -27.6 106 111 A A E -G 153 0C 31 47,-1.0 47,-2.2 3,-0.0 2,-0.3 -0.751 56.9-131.5-124.9 164.4 2.1 3.5 -28.2 107 112 A D E >> -G 152 0C 32 -2,-0.3 4,-1.0 45,-0.3 3,-0.8 -0.771 39.6-100.8-107.8 164.3 4.6 1.4 -26.5 108 113 A L H 3> S+ 0 0 0 43,-2.0 4,-2.4 40,-1.1 5,-0.3 0.774 120.3 65.1 -55.1 -33.6 8.4 1.8 -26.7 109 114 A N H 3> S+ 0 0 40 39,-0.4 4,-3.2 42,-0.2 5,-0.3 0.959 100.2 51.7 -49.9 -53.9 8.6 -1.0 -29.2 110 115 A N H <> S+ 0 0 79 -3,-0.8 4,-0.9 1,-0.2 -1,-0.2 0.803 110.1 49.0 -55.6 -36.0 6.5 1.2 -31.7 111 116 A I H X S+ 0 0 23 -4,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.903 120.0 35.2 -72.7 -42.7 9.0 4.1 -31.2 112 117 A V H < S+ 0 0 10 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.715 116.9 53.4 -83.7 -23.2 12.2 2.0 -31.7 113 118 A K H < S+ 0 0 76 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.705 116.7 40.0 -83.5 -21.3 10.6 -0.2 -34.4 114 119 A S H < S- 0 0 101 -4,-0.9 -2,-0.2 -5,-0.3 -3,-0.2 0.789 134.4 -3.0 -86.0 -36.4 9.5 2.9 -36.3 115 120 A Q < - 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0 0 38 -2,-0.4 -9,-0.1 1,-0.2 -33,-0.0 -0.383 30.0-146.3 -56.9 124.1 18.0 -6.2 -29.8 206 222 A L S S+ 0 0 35 -11,-0.4 -1,-0.2 1,-0.2 -34,-0.1 0.908 87.0 16.1 -63.9 -45.5 21.1 -6.5 -27.8 207 223 A F + 0 0 5 -36,-0.3 2,-2.3 2,-0.1 -1,-0.2 -0.650 67.7 178.3-131.6 73.0 20.7 -10.2 -26.9 208 224 A P - 0 0 61 0, 0.0 -37,-0.1 0, 0.0 7,-0.0 -0.363 18.8-177.4 -79.9 66.8 18.3 -11.9 -29.3 209 225 A G - 0 0 1 -2,-2.3 -38,-0.1 1,-0.1 -41,-0.1 -0.219 28.0-149.6 -63.1 149.2 18.6 -15.4 -27.8 210 226 A T S S- 0 0 101 1,-0.2 2,-0.3 -40,-0.1 -1,-0.1 0.679 81.1 -8.2 -91.9 -20.9 16.7 -18.3 -29.4 211 227 A D S > S- 0 0 75 -41,-0.0 4,-1.7 1,-0.0 -1,-0.2 -0.893 88.0 -81.0-156.7-174.5 16.4 -20.1 -26.1 212 228 A H H > S+ 0 0 98 -2,-0.3 4,-1.7 2,-0.2 5,-0.1 0.777 125.6 45.9 -71.1 -29.6 17.8 -19.9 -22.6 213 229 A I H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 115.4 46.4 -78.1 -45.0 21.1 -21.5 -23.2 214 230 A D H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.817 109.4 58.6 -55.2 -35.3 21.7 -19.4 -26.4 215 231 A Q H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.952 107.2 44.0 -69.4 -45.5 20.5 -16.4 -24.3 216 232 A L H X S+ 0 0 6 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.844 110.9 57.1 -62.8 -37.6 23.3 -17.0 -21.8 217 233 A K H X S+ 0 0 131 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.930 108.8 44.6 -56.7 -53.1 25.8 -17.6 -24.7 218 234 A L H X S+ 0 0 20 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.849 115.3 49.2 -63.5 -37.0 25.1 -14.2 -26.2 219 235 A I H >X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 3,-0.9 0.929 110.4 47.4 -66.7 -48.3 25.2 -12.5 -22.8 220 236 A L H 3X S+ 0 0 14 -4,-2.7 4,-2.2 1,-0.3 -2,-0.2 0.825 102.1 67.5 -66.7 -26.9 28.6 -14.0 -21.8 221 237 A R H 3< S+ 0 0 139 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.841 113.3 29.6 -60.7 -37.1 29.9 -13.1 -25.2 222 238 A L H << S+ 0 0 6 -3,-0.9 30,-3.0 -4,-0.8 -2,-0.2 0.904 130.5 33.3 -86.4 -52.0 29.6 -9.4 -24.2 223 239 A V H < S- 0 0 19 -4,-2.6 28,-0.2 28,-0.2 -3,-0.2 0.569 107.5-122.7 -85.8 -10.2 30.1 -9.4 -20.4 224 240 A G < - 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0 0 14 -3,-1.7 6,-0.1 -4,-0.4 -3,-0.0 -0.671 44.5-175.9 -80.8 109.7 26.8 -19.7 -7.1 235 251 A S + 0 0 118 -2,-0.8 2,-0.6 4,-0.0 -1,-0.2 0.757 58.5 88.7 -75.5 -27.4 24.8 -21.9 -4.7 236 252 A S > - 0 0 39 1,-0.2 4,-3.2 2,-0.0 5,-0.2 -0.653 61.6-158.0 -80.7 117.6 23.7 -24.5 -7.3 237 253 A E H > S+ 0 0 178 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.889 97.3 47.5 -56.8 -42.6 26.2 -27.4 -7.7 238 254 A S H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 114.3 44.5 -68.1 -43.1 24.8 -28.1 -11.2 239 255 A A H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.925 112.5 54.2 -63.7 -43.0 24.9 -24.4 -12.3 240 256 A R H X S+ 0 0 106 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.908 107.7 49.1 -57.7 -48.2 28.4 -24.1 -10.7 241 257 A N H X S+ 0 0 102 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.935 109.0 53.1 -56.7 -48.8 29.7 -27.1 -12.7 242 258 A Y H < S+ 0 0 84 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.873 109.6 48.1 -56.1 -43.1 28.2 -25.7 -16.0 243 259 A I H >< S+ 0 0 11 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.937 111.2 48.9 -62.8 -49.8 30.0 -22.3 -15.5 244 260 A Q H 3< S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.732 105.3 61.3 -64.1 -22.1 33.4 -23.9 -14.7 245 261 A S T 3< S+ 0 0 83 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.521 86.8 101.9 -80.4 -7.7 32.9 -26.1 -17.9 246 262 A L S < S- 0 0 50 -3,-1.6 2,-0.7 -4,-0.3 -3,-0.0 -0.462 81.6-113.7 -80.5 148.0 32.9 -23.1 -20.2 247 263 A T - 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