==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-JUN-09 3HVC . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.PERRY,J.A.TAINER . 327 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 62.7 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 . 40 12.2 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 0 1 1 0 1 0 1 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 . 0 1 2 0 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 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 0 141 0, 0.0 87,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.1 -24.6 40.1 30.9 2 6 A P - 0 0 74 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.111 360.0-101.9 -67.5 168.1 -24.0 41.4 27.4 3 7 A T - 0 0 85 2,-0.0 15,-2.8 0, 0.0 2,-0.2 -0.838 37.2-157.6 -96.8 123.9 -25.9 40.3 24.3 4 8 A F E -A 17 0A 37 -2,-0.5 2,-0.4 13,-0.3 11,-0.0 -0.659 4.1-157.5 -99.8 156.0 -24.1 37.8 22.1 5 9 A Y E -A 16 0A 56 11,-2.2 11,-1.5 -2,-0.2 2,-0.2 -0.995 12.6-134.8-134.5 140.5 -24.6 37.0 18.4 6 10 A R E +A 15 0A 152 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.593 30.4 151.0 -96.2 154.0 -23.7 33.9 16.5 7 11 A Q E -A 14 0A 52 7,-1.2 7,-3.2 -2,-0.2 2,-0.4 -0.937 34.7-121.2-172.3 155.3 -22.0 33.4 13.1 8 12 A E E +A 13 0A 123 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.894 23.6 176.6-112.0 139.2 -19.8 30.9 11.2 9 13 A L E > S-A 12 0A 31 3,-3.1 3,-1.4 -2,-0.4 15,-0.0 -0.941 73.1 -16.1-142.6 114.9 -16.4 31.7 9.8 10 14 A N T 3 S- 0 0 125 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.937 126.4 -53.3 56.1 51.9 -14.2 29.0 8.1 11 15 A K T 3 S+ 0 0 196 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.485 117.8 116.9 64.7 1.9 -16.3 26.1 9.6 12 16 A T E < -A 9 0A 35 -3,-1.4 -3,-3.1 2,-0.0 2,-0.5 -0.843 62.6-134.9-103.7 137.5 -15.7 27.7 13.0 13 17 A I E -A 8 0A 40 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.782 19.2-165.8 -93.4 129.9 -18.6 29.0 15.1 14 18 A W E +A 7 0A 3 -7,-3.2 -7,-1.2 -2,-0.5 2,-0.5 -0.966 11.4 178.8-119.5 125.5 -18.1 32.4 16.7 15 19 A E E +A 6 0A 52 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.920 22.3 155.0-126.2 103.1 -20.4 33.6 19.5 16 20 A V E -A 5 0A 0 -11,-1.5 -11,-2.2 -2,-0.5 -2,-0.0 -0.885 48.8 -86.6-130.0 159.3 -19.3 37.1 20.7 17 21 A P E > -A 4 0A 5 0, 0.0 3,-2.2 0, 0.0 -13,-0.3 -0.312 42.6-116.6 -61.0 145.2 -20.8 40.1 22.4 18 22 A E T 3 S+ 0 0 107 -15,-2.8 20,-0.1 1,-0.3 -14,-0.1 0.682 107.7 79.7 -59.6 -16.9 -22.3 42.6 19.9 19 23 A R T 3 S+ 0 0 59 -16,-0.2 19,-3.3 1,-0.1 2,-0.7 0.796 84.4 71.6 -61.0 -25.1 -19.8 45.2 20.9 20 24 A Y E < S+B 37 0B 0 -3,-2.2 2,-0.3 17,-0.2 17,-0.2 -0.837 72.5 172.1 -96.5 115.2 -17.4 43.3 18.7 21 25 A Q E +B 36 0B 80 15,-2.9 15,-3.1 -2,-0.7 -2,-0.0 -0.761 44.8 31.3-121.2 167.2 -18.3 43.8 15.0 22 26 A N E - 0 0 110 -2,-0.3 2,-0.2 13,-0.2 -1,-0.2 0.924 69.9-167.1 54.9 53.4 -16.9 43.1 11.6 23 27 A L E + 0 0 15 -3,-0.2 12,-0.2 12,-0.1 -1,-0.2 -0.493 12.1 171.5 -71.1 137.1 -15.1 39.9 12.5 24 28 A S E -B 34 0B 45 10,-2.0 10,-3.2 -2,-0.2 -15,-0.0 -0.942 34.8-107.2-151.5 126.6 -12.7 38.6 9.8 25 29 A P E +B 33 0B 64 0, 0.0 8,-0.2 0, 0.0 3,-0.1 -0.082 36.4 166.1 -51.3 147.7 -10.2 35.8 10.0 26 30 A V E - 0 0 89 6,-2.0 2,-0.3 1,-0.4 7,-0.2 0.446 58.6 -57.5-136.6 -24.0 -6.5 36.7 10.3 27 31 A G E B 32 0B 41 5,-1.3 5,-2.2 0, 0.0 -1,-0.4 -0.990 360.0 360.0 169.5-164.2 -4.9 33.4 11.3 28 32 A S 0 0 133 -2,-0.3 3,-0.2 3,-0.2 19,-0.0 -0.480 360.0 360.0-116.9 360.0 -4.7 30.5 13.7 29 ! 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 30 36 A G 0 0 36 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0-174.8 -7.3 28.3 18.3 31 37 A S E - C 0 48B 34 17,-1.9 17,-3.0 -3,-0.2 2,-0.4 -0.799 360.0-149.6-108.9 150.5 -8.5 30.8 15.7 32 38 A V E -BC 27 47B 31 -5,-2.2 -6,-2.0 -2,-0.3 -5,-1.3 -0.963 9.4-171.1-122.9 135.4 -8.0 34.6 15.5 33 39 A C E -BC 25 46B 2 13,-2.9 13,-3.1 -2,-0.4 2,-0.2 -0.974 21.1-133.3-125.4 135.1 -10.3 37.2 14.0 34 40 A A E +BC 24 45B 10 -10,-3.2 -10,-2.0 -2,-0.4 2,-0.3 -0.606 41.6 164.8 -78.6 147.6 -9.6 40.9 13.5 35 41 A A E - C 0 44B 0 9,-2.3 9,-2.7 -2,-0.2 2,-0.5 -0.970 38.1-111.3-157.0 169.5 -12.6 42.9 14.7 36 42 A F E -BC 21 43B 76 -15,-3.1 -15,-2.9 -2,-0.3 2,-0.8 -0.941 21.8-144.3-112.1 130.7 -13.8 46.4 15.7 37 43 A D E >> -BC 20 42B 1 5,-3.3 4,-3.1 -2,-0.5 5,-0.6 -0.831 10.6-169.4 -95.4 107.7 -14.7 47.1 19.3 38 44 A T T 45S+ 0 0 79 -19,-3.3 -1,-0.2 -2,-0.8 -18,-0.1 0.692 84.5 55.5 -70.8 -18.9 -17.6 49.5 19.3 39 45 A K T 45S+ 0 0 158 -20,-0.3 -1,-0.2 1,-0.1 -19,-0.1 0.912 124.1 21.8 -79.7 -43.8 -17.3 50.2 23.0 40 46 A T T 45S- 0 0 72 2,-0.2 -2,-0.2 -21,-0.1 -1,-0.1 0.739 98.4-129.6 -93.4 -27.7 -13.6 51.3 22.9 41 47 A G T <5 + 0 0 37 -4,-3.1 2,-0.3 1,-0.3 -3,-0.2 0.654 65.4 125.9 85.4 17.7 -13.6 52.3 19.2 42 48 A L E < -C 37 0B 85 -5,-0.6 -5,-3.3 59,-0.0 2,-0.5 -0.705 66.5-112.9-112.2 160.3 -10.5 50.2 18.6 43 49 A R E +C 36 0B 101 -2,-0.3 59,-2.2 -7,-0.2 2,-0.3 -0.767 45.8 177.6 -87.6 129.8 -9.4 47.4 16.3 44 50 A V E -CD 35 101B 0 -9,-2.7 -9,-2.3 -2,-0.5 2,-0.5 -0.809 29.8-124.2-130.1 172.0 -8.8 44.2 18.3 45 51 A A E -CD 34 100B 14 55,-3.3 55,-2.1 -2,-0.3 2,-0.5 -0.977 21.3-159.9-119.2 126.7 -7.9 40.6 17.8 46 52 A V E -CD 33 99B 0 -13,-3.1 -13,-2.9 -2,-0.5 2,-0.5 -0.941 5.1-165.9-112.1 123.0 -10.2 37.9 19.1 47 53 A K E -CD 32 98B 42 51,-3.2 51,-3.0 -2,-0.5 2,-0.6 -0.921 5.1-159.2-110.4 129.8 -8.9 34.5 19.7 48 54 A K E -CD 31 97B 28 -17,-3.0 -17,-1.9 -2,-0.5 49,-0.2 -0.931 22.7-127.0-108.5 116.5 -11.2 31.5 20.2 49 55 A L - 0 0 12 47,-2.2 47,-0.3 -2,-0.6 13,-0.0 -0.379 18.9-132.0 -61.5 136.6 -9.5 28.5 21.9 50 56 A S S S- 0 0 70 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.971 84.2 -16.0 -52.8 -86.7 -10.0 25.3 19.9 51 57 A R S > S- 0 0 161 1,-0.1 3,-2.1 44,-0.1 4,-0.3 -0.649 70.5-175.3-125.4 72.9 -11.1 22.7 22.4 52 58 A P T 3 S+ 0 0 4 0, 0.0 10,-0.5 0, 0.0 11,-0.2 0.713 83.9 29.4 -39.0 -34.3 -10.2 24.4 25.7 53 59 A F T 3 S+ 0 0 28 41,-0.3 3,-0.1 1,-0.1 263,-0.1 -0.158 74.8 122.7-128.4 42.8 -11.3 21.3 27.7 54 60 A Q S < S- 0 0 120 -3,-2.1 2,-0.3 1,-0.2 -1,-0.1 0.714 88.2 -7.5 -73.2 -22.3 -10.7 18.3 25.4 55 61 A S S > S- 0 0 32 -4,-0.3 4,-3.5 -3,-0.2 5,-0.2 -0.971 80.8 -89.9-163.8 168.8 -8.4 16.7 28.0 56 62 A I H > S+ 0 0 79 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.913 128.3 51.4 -53.3 -42.9 -6.7 17.4 31.3 57 63 A I H > S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 112.3 44.4 -61.7 -43.8 -3.8 18.7 29.3 58 64 A H H > S+ 0 0 27 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.922 113.4 51.6 -65.7 -45.2 -6.0 21.0 27.2 59 65 A A H X S+ 0 0 0 -4,-3.5 4,-2.4 2,-0.2 -2,-0.2 0.952 113.7 42.6 -55.8 -54.1 -7.9 22.1 30.3 60 66 A K H X S+ 0 0 30 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.871 114.0 52.3 -62.2 -38.5 -4.7 23.0 32.2 61 67 A R H X S+ 0 0 110 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.900 108.8 51.0 -63.9 -41.6 -3.2 24.6 29.0 62 68 A T H X S+ 0 0 4 -4,-2.9 4,-2.2 -10,-0.5 -2,-0.2 0.944 112.6 46.1 -60.7 -46.8 -6.4 26.7 28.8 63 69 A Y H X S+ 0 0 19 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.917 111.4 52.5 -61.1 -46.5 -6.0 27.7 32.4 64 70 A R H X S+ 0 0 50 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.907 109.9 47.1 -57.6 -47.7 -2.3 28.5 32.0 65 71 A E H X S+ 0 0 41 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.950 112.8 48.6 -62.5 -48.6 -2.8 30.8 29.0 66 72 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.942 112.9 48.2 -56.6 -48.9 -5.6 32.7 30.6 67 73 A R H X S+ 0 0 31 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.911 113.5 47.8 -57.9 -44.6 -3.5 33.2 33.8 68 74 A L H >X S+ 0 0 9 -4,-2.4 4,-2.0 -5,-0.2 3,-0.5 0.942 113.0 46.8 -62.3 -49.9 -0.5 34.3 31.8 69 75 A L H 3< S+ 0 0 19 -4,-3.0 11,-0.7 1,-0.2 -2,-0.2 0.870 109.6 53.3 -62.3 -39.1 -2.5 36.8 29.6 70 76 A K H 3< S+ 0 0 36 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.761 112.1 47.5 -68.2 -22.6 -4.3 38.3 32.6 71 77 A H H << S+ 0 0 37 -4,-1.0 2,-0.7 -3,-0.5 228,-0.2 0.839 88.2 92.5 -87.5 -35.1 -0.9 38.9 34.3 72 78 A M < + 0 0 1 -4,-2.0 8,-0.4 6,-0.1 2,-0.3 -0.470 40.5 159.9 -68.0 108.2 1.0 40.5 31.3 73 79 A K + 0 0 156 -2,-0.7 2,-0.3 6,-0.1 -1,-0.1 -0.691 30.5 114.3-130.3 79.2 0.7 44.3 31.5 74 80 A H > - 0 0 18 3,-0.5 3,-2.2 -2,-0.3 54,-0.0 -0.996 69.6-120.8-151.0 140.4 3.5 45.7 29.5 75 81 A E T 3 S+ 0 0 131 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.773 113.6 45.0 -51.0 -32.6 3.8 47.7 26.2 76 82 A N T 3 S+ 0 0 8 80,-0.1 81,-2.1 51,-0.1 2,-0.4 0.065 105.4 71.9-104.4 26.3 5.9 45.0 24.5 77 83 A V B < S-f 157 0C 2 -3,-2.2 -3,-0.5 79,-0.3 81,-0.1 -1.000 90.2-102.4-141.7 137.0 3.8 42.0 25.6 78 84 A I - 0 0 13 79,-2.3 2,-0.3 -2,-0.4 -6,-0.1 -0.360 47.4-173.3 -57.9 130.7 0.4 40.8 24.5 79 85 A G - 0 0 16 -4,-0.1 2,-0.6 -6,-0.1 22,-0.2 -0.784 25.8 -98.7-123.6 169.3 -2.1 41.8 27.2 80 86 A L + 0 0 16 -11,-0.7 20,-0.2 -8,-0.4 3,-0.1 -0.805 30.8 170.8 -97.5 121.3 -5.8 41.2 27.8 81 87 A L S S- 0 0 28 18,-3.0 2,-0.3 -2,-0.6 19,-0.2 0.768 77.8 -16.5 -88.9 -32.4 -8.4 43.8 26.8 82 88 A D E -E 99 0B 22 17,-1.4 17,-3.1 246,-0.1 -1,-0.4 -0.980 51.5-161.2-168.3 156.2 -11.2 41.3 27.5 83 89 A V E +E 98 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.985 26.8 159.4-142.9 136.5 -12.0 37.6 28.0 84 90 A F E -E 97 0B 14 13,-2.0 13,-2.4 -2,-0.3 3,-0.0 -0.976 26.0-157.6-156.2 167.4 -15.5 36.1 27.7 85 91 A T - 0 0 16 -2,-0.3 11,-0.1 2,-0.2 -69,-0.1 -0.988 25.2-133.7-147.3 143.9 -17.6 33.1 27.1 86 92 A P S S+ 0 0 21 0, 0.0 -82,-0.1 0, 0.0 7,-0.1 0.808 75.1 110.9 -69.9 -25.5 -21.2 32.8 25.8 87 93 A A - 0 0 10 8,-0.2 -2,-0.2 1,-0.1 6,-0.1 -0.132 56.4-158.5 -51.1 138.3 -22.0 30.4 28.7 88 94 A R S S+ 0 0 166 1,-0.2 2,-0.3 -87,-0.0 -1,-0.1 0.553 76.5 21.9 -94.4 -11.7 -24.3 31.7 31.4 89 95 A S S > S- 0 0 36 1,-0.1 3,-0.7 0, 0.0 4,-0.5 -0.986 80.7-108.1-152.9 159.5 -23.1 29.2 33.9 90 96 A L G > S+ 0 0 65 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.871 113.7 68.2 -53.9 -39.1 -20.1 26.9 34.7 91 97 A E G 3 S+ 0 0 176 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.881 111.1 28.9 -47.9 -50.0 -22.3 24.0 33.8 92 98 A E G < S+ 0 0 104 -3,-0.7 2,-0.8 -6,-0.0 -1,-0.3 0.269 87.4 130.4 -98.6 10.4 -22.4 25.0 30.1 93 99 A F < + 0 0 0 -3,-1.4 227,-0.1 -4,-0.5 3,-0.1 -0.537 16.9 129.3 -69.8 104.8 -19.0 26.6 30.1 94 100 A N + 0 0 84 -2,-0.8 2,-0.4 1,-0.2 -41,-0.3 0.339 52.9 65.0-137.9 1.6 -17.1 25.1 27.1 95 101 A D - 0 0 41 -3,-0.1 2,-0.4 -43,-0.1 -8,-0.2 -0.990 52.8-167.8-135.3 142.9 -15.8 28.1 25.1 96 102 A V - 0 0 1 -2,-0.4 -47,-2.2 -47,-0.3 2,-0.4 -0.992 1.4-169.3-132.4 128.8 -13.2 30.7 25.8 97 103 A Y E -DE 48 84B 0 -13,-2.4 -13,-2.0 -2,-0.4 2,-0.4 -0.965 5.6-160.2-119.8 133.9 -12.5 33.9 23.8 98 104 A L E -DE 47 83B 8 -51,-3.0 -51,-3.2 -2,-0.4 2,-0.4 -0.931 5.9-160.6-114.6 135.2 -9.5 36.2 24.4 99 105 A V E +DE 46 82B 1 -17,-3.1 -18,-3.0 -2,-0.4 -17,-1.4 -0.945 18.5 153.9-121.1 134.7 -9.3 39.8 23.2 100 106 A T E -D 45 0B 19 -55,-2.1 -55,-3.3 -2,-0.4 -20,-0.1 -0.920 51.8 -68.0-146.4 170.5 -6.3 42.0 22.7 101 107 A H E -D 44 0B 74 -2,-0.3 2,-0.3 -57,-0.2 -57,-0.3 -0.372 59.8-107.7 -62.6 138.2 -5.2 45.0 20.6 102 108 A L - 0 0 45 -59,-2.2 2,-0.5 -67,-0.1 -59,-0.1 -0.514 32.0-160.1 -72.9 128.1 -5.0 44.2 16.9 103 109 A M - 0 0 23 -2,-0.3 47,-0.2 1,-0.2 46,-0.1 -0.943 13.4-139.6-110.9 124.9 -1.4 44.0 15.6 104 110 A G - 0 0 55 -2,-0.5 46,-0.2 44,-0.1 2,-0.2 0.908 66.2 -29.8 -46.5 -61.5 -1.0 44.3 11.9 105 111 A A E -G 149 0C 36 44,-2.8 44,-2.1 42,-0.0 2,-0.3 -0.494 58.0-109.6-139.0-154.0 1.7 41.7 11.2 106 112 A D E >> -G 148 0C 36 42,-0.3 4,-1.8 -2,-0.2 3,-1.5 -0.960 33.8-102.3-147.8 162.2 4.7 39.8 12.5 107 113 A L H 3> S+ 0 0 2 40,-1.8 4,-1.0 37,-0.9 38,-0.2 0.789 118.3 63.7 -56.7 -32.1 8.4 39.7 12.0 108 114 A N H 34 S+ 0 0 88 36,-0.6 -1,-0.3 39,-0.2 37,-0.1 0.834 109.2 43.9 -62.1 -29.5 8.1 36.5 10.0 109 115 A N H <4 S+ 0 0 93 -3,-1.5 -2,-0.2 35,-0.2 -1,-0.2 0.966 105.2 58.6 -77.9 -60.0 6.1 38.7 7.5 110 116 A I H < 0 0 81 -4,-1.8 -2,-0.1 3,-0.0 -3,-0.1 0.884 360.0 360.0 -35.1 -77.2 8.2 41.8 7.3 111 117 A V < 0 0 77 -4,-1.0 83,-0.1 2,-0.0 82,-0.0 -0.282 360.0 360.0 -67.4 360.0 11.5 40.4 6.1 112 ! 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 0.0 113 122 A L 0 0 82 0, 0.0 2,-0.1 0, 0.0 84,-0.0 0.000 360.0 360.0 360.0 147.3 16.1 45.8 7.6 114 123 A T > - 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0 0 1 -4,-1.7 -1,-0.2 26,-0.5 -2,-0.1 0.128 38.6 -58.0 77.3 160.6 32.4 26.0 18.1 219 241 A T S S- 0 0 27 24,-3.3 26,-0.1 1,-0.1 50,-0.1 -0.323 73.8 -73.0 -72.9 160.8 32.1 22.8 20.0 220 242 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.273 48.3-138.7 -56.4 129.5 31.7 22.7 23.9 221 243 A G > - 0 0 47 -3,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.106 32.8 -90.1 -78.5-176.0 34.8 23.5 25.9 222 244 A A H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.892 122.8 54.8 -65.8 -42.1 36.0 21.7 29.0 223 245 A E H 4 S+ 0 0 110 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.908 114.6 39.7 -60.2 -42.1 34.1 23.9 31.4 224 246 A L H >4 S+ 0 0 29 1,-0.2 3,-1.5 2,-0.2 4,-0.2 0.872 109.6 60.2 -74.5 -36.6 30.8 23.4 29.7 225 247 A L H >< S+ 0 0 41 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.853 97.9 61.1 -57.2 -36.0 31.5 19.7 29.1 226 248 A K T 3< S+ 0 0 179 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.709 97.2 59.7 -63.4 -24.5 31.8 19.3 32.9 227 249 A K T < S+ 0 0 77 -3,-1.5 2,-0.7 -4,-0.4 -1,-0.3 0.434 81.0 98.6 -87.4 -0.4 28.2 20.4 33.3 228 250 A I < + 0 0 33 -3,-1.4 6,-0.1 -4,-0.2 -1,-0.0 -0.797 42.0 176.4 -95.9 112.1 26.7 17.6 31.2 229 251 A S + 0 0 107 -2,-0.7 2,-0.3 4,-0.0 -1,-0.2 0.812 53.5 95.2 -80.8 -32.5 25.3 14.7 33.2 230 252 A S > - 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0 0 121 1,-0.1 -1,-0.2 -22,-0.0 -2,-0.1 -0.358 53.7-113.6 -56.0 120.4 34.3 16.7 14.8 242 264 A Q - 0 0 172 -2,-0.1 -1,-0.1 -3,-0.1 -4,-0.0 -0.331 41.1-174.4 -58.8 135.8 35.8 19.3 17.2 243 265 A M - 0 0 50 -3,-0.1 -24,-3.3 -29,-0.0 2,-0.2 -0.991 18.3-126.4-137.1 144.8 35.2 22.8 15.9 244 266 A P - 0 0 103 0, 0.0 -26,-0.5 0, 0.0 2,-0.1 -0.537 34.7 -96.2 -89.2 155.6 36.4 26.2 17.1 245 267 A K - 0 0 116 -28,-0.3 -28,-0.2 -2,-0.2 2,-0.1 -0.454 48.4-125.6 -65.3 138.3 34.2 29.3 17.8 246 268 A M - 0 0 86 -30,-3.0 2,-0.9 -2,-0.1 3,-0.1 -0.467 20.4 -99.7 -88.2 162.4 34.2 31.5 14.7 247 269 A N >> - 0 0 87 1,-0.2 4,-2.4 -2,-0.1 3,-0.6 -0.721 29.5-160.9 -81.0 109.3 35.1 35.1 14.5 248 270 A F H 3> S+ 0 0 1 -2,-0.9 4,-3.2 1,-0.2 -1,-0.2 0.832 88.2 64.8 -60.7 -33.0 31.7 36.9 14.4 249 271 A A H 34 S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.2 6,-0.2 0.913 109.8 38.6 -57.9 -40.6 33.3 40.0 13.0 250 272 A N H X4 S+ 0 0 103 -3,-0.6 3,-1.3 2,-0.2 -2,-0.2 0.937 116.0 50.8 -74.8 -47.4 34.1 38.0 9.9 251 273 A V H 3< S+ 0 0 58 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.881 125.1 27.8 -57.8 -41.9 30.9 36.0 9.8 252 274 A F T >< S+ 0 0 13 -4,-3.2 3,-2.2 -5,-0.2 -1,-0.3 0.069 90.0 163.2-107.6 23.2 28.7 39.1 10.1 253 275 A I T < + 0 0 134 -3,-1.3 -3,-0.1 1,-0.3 3,-0.1 -0.078 61.5 32.3 -47.6 134.8 31.3 41.4 8.5 254 276 A G T 3 S+ 0 0 81 1,-0.5 -1,-0.3 -5,-0.1 -4,-0.1 -0.025 94.7 113.0 105.6 -28.2 29.8 44.7 7.3 255 277 A A S < S- 0 0 31 -3,-2.2 -1,-0.5 -6,-0.2 -3,-0.1 -0.257 87.9 -73.4 -72.3 163.1 27.3 44.8 10.1 256 278 A N >> - 0 0 51 1,-0.2 4,-2.1 -3,-0.1 3,-1.0 -0.392 41.3-136.2 -58.3 120.8 27.4 47.4 12.8 257 279 A P H 3> S+ 0 0 105 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.777 105.9 56.0 -51.9 -27.0 30.3 46.3 15.1 258 280 A L H 3> S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 27,-0.2 0.873 105.0 50.8 -73.8 -36.2 28.1 47.0 18.1 259 281 A A H <> S+ 0 0 0 -3,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.908 109.5 51.8 -65.5 -40.6 25.5 44.6 16.8 260 282 A V H X S+ 0 0 10 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.898 107.3 52.4 -63.0 -41.5 28.2 42.0 16.4 261 283 A D H X S+ 0 0 50 -4,-1.8 4,-1.5 1,-0.2 3,-0.3 0.960 110.7 46.9 -59.9 -51.4 29.4 42.5 19.9 262 284 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.885 109.0 55.4 -57.2 -43.1 25.9 41.9 21.3 263 285 A L H X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.860 104.9 51.8 -59.4 -39.3 25.4 38.9 19.1 264 286 A E H < S+ 0 0 57 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.871 110.3 50.3 -66.0 -35.6 28.5 37.2 20.5 265 287 A K H < S+ 0 0 82 -4,-1.5 10,-2.1 -5,-0.2 3,-0.3 0.734 116.7 40.5 -74.1 -24.3 27.2 37.8 24.0 266 288 A M H < S+ 0 0 0 -4,-1.4 2,-1.5 8,-0.2 -2,-0.2 0.883 109.2 56.6 -90.0 -46.0 23.8 36.3 23.2 267 289 A L S < S+ 0 0 2 -4,-3.1 2,-0.5 -5,-0.2 -1,-0.2 -0.328 73.5 141.1 -86.4 56.2 24.8 33.4 21.1 268 290 A V - 0 0 36 -2,-1.5 6,-0.1 -3,-0.3 5,-0.1 -0.857 50.2-140.7 -98.6 129.0 27.1 31.8 23.8 269 291 A L S S+ 0 0 25 -2,-0.5 2,-0.6 -52,-0.2 -99,-0.2 0.936 87.2 69.5 -53.9 -54.6 26.9 28.0 24.0 270 292 A D S > S- 0 0 6 1,-0.2 3,-2.0 -3,-0.1 4,-0.4 -0.568 74.7-151.8 -71.3 112.3 27.1 27.8 27.8 271 293 A S G > S+ 0 0 8 -2,-0.6 3,-1.0 1,-0.3 -1,-0.2 0.777 93.3 63.6 -55.6 -31.2 23.8 29.2 29.1 272 294 A D G 3 S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.751 104.4 48.8 -66.1 -22.0 25.4 30.3 32.3 273 295 A K G < S+ 0 0 100 -3,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.450 85.3 113.0 -97.6 -3.3 27.5 32.7 30.2 274 296 A R S < S- 0 0 9 -3,-1.0 -8,-0.2 -4,-0.4 -9,-0.1 -0.473 73.8-109.0 -74.5 143.1 24.8 34.3 28.1 275 297 A I - 0 0 20 -10,-2.1 2,-0.1 -2,-0.2 -1,-0.1 -0.309 36.5-125.9 -63.8 148.5 23.9 38.0 28.6 276 298 A T > - 0 0 53 1,-0.1 4,-2.3 -92,-0.0 5,-0.2 -0.476 20.5-108.2 -92.9 171.1 20.5 38.5 30.3 277 299 A A H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -147,-0.2 0.923 120.5 51.9 -63.9 -42.3 17.7 40.6 28.9 278 300 A A H > S+ 0 0 51 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.924 112.4 44.5 -60.5 -44.9 18.3 43.2 31.6 279 301 A Q H >4 S+ 0 0 111 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.875 109.4 56.7 -67.9 -36.7 22.0 43.4 30.8 280 302 A A H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 6,-0.3 0.888 98.1 59.9 -63.3 -40.1 21.4 43.5 27.0 281 303 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.797 105.2 51.4 -59.6 -24.8 19.1 46.5 27.3 282 304 A A T << S+ 0 0 62 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.562 84.1 115.9 -88.4 -9.3 22.2 48.3 28.8 283 305 A H S X S- 0 0 21 -3,-1.7 3,-2.0 -4,-0.5 7,-0.2 -0.293 79.0-116.3 -60.9 144.2 24.4 47.3 25.9 284 306 A A G > S+ 0 0 56 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.698 107.7 76.4 -55.8 -23.9 25.7 50.3 23.8 285 307 A Y G 3 S+ 0 0 3 1,-0.3 3,-0.3 -27,-0.2 -1,-0.3 0.827 100.4 43.8 -57.7 -30.4 23.9 49.0 20.7 286 308 A F G X> S+ 0 0 0 -3,-2.0 4,-3.4 -6,-0.3 3,-1.4 0.111 75.1 123.1-102.4 20.3 20.7 50.4 22.3 287 309 A A T <4 S+ 0 0 66 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.910 74.2 52.6 -45.4 -50.8 22.2 53.6 23.5 288 310 A Q T 34 S+ 0 0 126 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.737 122.5 27.6 -60.3 -26.8 19.6 55.6 21.6 289 311 A Y T <4 S+ 0 0 83 -3,-1.4 -2,-0.2 -8,-0.1 -1,-0.2 0.716 89.2 112.3-109.8 -27.0 16.6 53.7 23.1 290 312 A H < + 0 0 58 -4,-3.4 -8,-0.1 -7,-0.2 5,-0.1 -0.226 30.0 164.4 -56.9 132.2 17.8 52.5 26.6 291 313 A D > - 0 0 65 3,-0.1 3,-2.6 1,-0.1 -9,-0.0 -0.784 25.0-160.1-151.2 99.7 16.2 54.1 29.6 292 314 A P G > S+ 0 0 86 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.750 95.4 55.4 -52.1 -27.2 16.6 52.4 33.0 293 315 A D G 3 S+ 0 0 158 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.522 109.4 47.1 -86.1 -5.3 13.5 54.3 34.3 294 316 A D G < S+ 0 0 79 -3,-2.6 -1,-0.2 1,-0.1 -3,-0.1 -0.259 86.8 84.2-131.5 48.1 11.3 53.0 31.5 295 317 A E < - 0 0 8 -3,-0.6 -1,-0.1 -5,-0.1 -14,-0.0 -0.547 69.8-165.9-145.7 66.9 12.0 49.3 31.4 296 318 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.036 12.7-136.2 -60.2 155.2 9.7 47.9 34.1 297 319 A V - 0 0 92 -163,-0.1 2,-0.2 -164,-0.1 -166,-0.2 -0.709 26.7-108.2-107.5 162.6 9.6 44.6 35.9 298 320 A A - 0 0 15 -167,-0.6 3,-0.1 -2,-0.3 -226,-0.1 -0.514 26.8-105.6 -93.9 159.7 6.4 42.5 36.6 299 321 A D - 0 0 122 -228,-0.2 -1,-0.1 -2,-0.2 -228,-0.0 -0.284 61.9 -67.5 -71.8 166.8 4.6 41.8 39.8 300 322 A P - 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.305 48.5-150.2 -60.5 138.5 5.0 38.3 41.2 301 323 A Y - 0 0 15 -166,-0.4 2,-0.9 -3,-0.1 -233,-0.0 -0.960 10.1-136.1-115.1 121.1 3.4 35.5 39.1 302 324 A D + 0 0 87 -2,-0.5 3,-0.3 1,-0.2 -167,-0.0 -0.652 30.8 166.5 -80.0 104.2 2.1 32.4 41.0 303 325 A Q > + 0 0 63 -2,-0.9 3,-1.8 1,-0.2 4,-0.3 0.249 42.8 111.2 -99.2 11.0 3.1 29.4 39.0 304 326 A S G > + 0 0 45 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.810 66.6 68.0 -56.7 -29.3 2.3 26.9 41.8 305 327 A F G > S+ 0 0 2 -3,-0.3 3,-2.1 1,-0.3 -1,-0.3 0.785 83.0 75.5 -61.9 -25.7 -0.6 25.5 39.8 306 328 A E G < S+ 0 0 55 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.793 94.9 49.0 -56.7 -29.6 1.9 24.1 37.3 307 329 A S G < S+ 0 0 101 -3,-1.5 -1,-0.3 -4,-0.3 2,-0.3 0.406 92.2 105.0 -92.5 3.5 2.8 21.3 39.7 308 330 A R < - 0 0 111 -3,-2.1 2,-0.7 -4,-0.2 -3,-0.0 -0.626 57.6-152.5 -90.2 145.1 -0.8 20.4 40.4 309 331 A D + 0 0 158 -2,-0.3 2,-0.2 0, 0.0 -3,-0.1 -0.908 34.3 162.9-114.5 97.3 -2.6 17.3 39.1 310 332 A L - 0 0 41 -2,-0.7 -250,-0.1 1,-0.1 2,-0.1 -0.678 39.0 -97.8-115.7 168.8 -6.3 18.2 38.9 311 333 A L > - 0 0 105 -2,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.385 36.7-110.7 -79.7 161.0 -9.4 16.9 37.2 312 334 A I H > S+ 0 0 53 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.931 120.0 52.5 -57.4 -46.5 -10.8 18.4 34.0 313 335 A D H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.820 108.4 51.2 -60.3 -32.4 -13.7 19.9 35.8 314 336 A E H > S+ 0 0 84 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.897 111.7 45.0 -73.7 -39.9 -11.4 21.5 38.4 315 337 A W H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.929 115.5 49.5 -66.3 -43.6 -9.2 23.1 35.7 316 338 A K H X S+ 0 0 27 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.933 112.6 45.4 -59.9 -48.4 -12.4 24.2 33.9 317 339 A S H X S+ 0 0 33 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.863 112.2 53.0 -63.4 -36.9 -13.9 25.6 37.1 318 340 A L H X S+ 0 0 51 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.915 112.0 45.2 -63.1 -43.1 -10.6 27.3 37.8 319 341 A T H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 3,-0.2 0.924 109.9 54.1 -65.9 -46.2 -10.6 28.8 34.4 320 342 A Y H X S+ 0 0 40 -4,-3.1 4,-2.3 1,-0.3 -2,-0.2 0.910 107.0 52.2 -55.2 -44.1 -14.2 29.9 34.7 321 343 A D H X S+ 0 0 69 -4,-2.3 4,-1.8 1,-0.2 -1,-0.3 0.856 107.4 52.2 -61.6 -36.0 -13.4 31.7 37.9 322 344 A E H X S+ 0 0 41 -4,-1.4 4,-0.6 -3,-0.2 -1,-0.2 0.848 108.0 51.9 -70.3 -31.8 -10.6 33.5 36.2 323 345 A V H >< S+ 0 0 17 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.947 112.1 45.0 -67.0 -48.6 -13.0 34.7 33.4 324 346 A I H 3< S+ 0 0 101 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.825 111.4 52.7 -65.7 -33.1 -15.5 36.1 35.9 325 347 A S H 3< S+ 0 0 64 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.585 82.1 122.5 -80.8 -8.3 -12.8 37.8 38.0 326 348 A F << - 0 0 29 -3,-0.9 -3,-0.0 -4,-0.6 -243,-0.0 -0.272 44.7-164.1 -58.1 133.7 -11.4 39.6 35.0 327 349 A V - 0 0 110 -245,-0.0 -1,-0.1 3,-0.0 -2,-0.1 -0.977 23.2-119.2-123.3 116.2 -11.3 43.3 35.3 328 350 A P - 0 0 79 0, 0.0 -247,-0.1 0, 0.0 -246,-0.1 0.044 38.6 -94.0 -46.6 160.2 -10.8 45.3 32.0 329 351 A P 0 0 56 0, 0.0 -248,-0.0 0, 0.0 -256,-0.0 -0.343 360.0 360.0 -76.1 163.4 -7.7 47.6 31.8 330 352 A P 0 0 181 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.054 360.0 360.0 -60.1 360.0 -7.9 51.3 32.8