==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-OCT-06 2NPQ . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.DISKIN,D.ENGELBERG,O.LIVNAH . 326 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17670.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 63.2 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 . 40 12.3 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 28.8 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 2 1 0 0 0 1 1 0 1 0 1 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 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 4 A E 0 0 250 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.9 58.7 46.0 1.4 2 5 A R - 0 0 89 1,-0.1 87,-0.0 87,-0.0 2,-0.0 -0.663 360.0-117.0 -91.1 141.5 58.6 43.5 4.3 3 6 A P - 0 0 70 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.253 24.1-107.0 -74.2 164.5 58.3 44.8 7.9 4 7 A T - 0 0 82 -2,-0.0 15,-2.1 2,-0.0 2,-0.2 -0.816 38.1-156.5 -88.9 126.6 60.8 44.4 10.7 5 8 A F E -A 18 0A 26 -2,-0.5 2,-0.3 13,-0.2 11,-0.1 -0.637 5.9-154.2 -98.9 158.1 59.6 41.9 13.3 6 9 A Y E -A 17 0A 57 11,-2.2 11,-1.7 -2,-0.2 2,-0.3 -0.966 14.6-129.2-127.0 154.3 60.6 41.5 17.0 7 10 A R E +A 16 0A 150 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.768 28.8 167.5-108.4 145.9 60.4 38.4 19.1 8 11 A Q E -A 15 0A 59 7,-1.3 7,-0.9 -2,-0.3 2,-0.3 -0.766 29.3-125.9-145.0 175.6 58.8 38.1 22.6 9 12 A E E +A 14 0A 160 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.832 49.1 120.8-143.4 101.1 57.7 35.4 25.1 10 13 A L E > +A 13 0A 23 3,-2.3 3,-2.0 -2,-0.3 -2,-0.1 -0.968 58.4 36.6-153.3 165.1 54.2 35.2 26.4 11 14 A N T 3 S- 0 0 49 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.801 127.1 -72.0 57.3 31.1 51.2 32.9 26.5 12 15 A K T 3 S+ 0 0 219 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.407 119.4 95.3 60.4 0.5 53.8 30.2 26.9 13 16 A T E < S-A 10 0A 52 -3,-2.0 -3,-2.3 0, 0.0 2,-0.4 -0.765 80.8-110.1-116.3 162.0 54.6 30.9 23.2 14 17 A I E -A 9 0A 58 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.760 30.1-159.7 -84.2 131.1 57.0 32.9 21.1 15 18 A W E -A 8 0A 0 -7,-0.9 -7,-1.3 -2,-0.4 2,-0.5 -0.975 9.2-175.4-115.6 122.1 55.3 35.8 19.3 16 19 A E E +A 7 0A 43 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.962 22.7 153.3-118.4 110.8 57.1 37.3 16.3 17 20 A V E -A 6 0A 1 -11,-1.7 -11,-2.2 -2,-0.5 -2,-0.0 -0.925 49.9 -80.9-136.0 157.2 55.2 40.4 15.0 18 21 A P E > -A 5 0A 3 0, 0.0 3,-1.9 0, 0.0 -13,-0.2 -0.252 43.3-118.7 -56.5 147.5 55.9 43.6 13.1 19 22 A E T 3 S+ 0 0 104 -15,-2.1 20,-0.2 1,-0.3 -14,-0.1 0.732 106.0 78.0 -72.7 -17.2 57.2 46.4 15.3 20 23 A R T 3 S+ 0 0 65 -16,-0.2 19,-3.1 1,-0.1 2,-0.9 0.799 82.5 76.5 -53.6 -28.9 54.2 48.6 14.6 21 24 A Y E < S+B 38 0B 1 -3,-1.9 2,-0.2 17,-0.2 3,-0.2 -0.777 74.1 178.2 -92.2 108.3 52.3 46.4 17.1 22 25 A Q E +B 37 0B 68 15,-2.7 15,-2.1 -2,-0.9 -2,-0.1 -0.689 44.8 19.5-115.8 157.7 53.5 47.5 20.5 23 26 A N E S- 0 0 135 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.901 71.0-165.4 56.2 51.9 52.8 46.6 24.2 24 27 A L E + 0 0 12 -3,-0.2 12,-0.2 12,-0.1 -1,-0.2 -0.551 10.1 179.7 -67.7 126.5 51.3 43.2 23.6 25 28 A S E -B 35 0B 63 10,-1.6 10,-2.8 -2,-0.3 -15,-0.0 -0.993 32.7-109.8-128.7 125.1 49.4 41.8 26.6 26 29 A P E +B 34 0B 61 0, 0.0 8,-0.3 0, 0.0 3,-0.1 -0.180 37.4 169.8 -49.9 141.1 47.7 38.4 26.6 27 30 A V E - 0 0 89 6,-2.3 2,-0.3 1,-0.4 7,-0.2 0.377 55.8 -8.8-135.0 -7.2 43.9 38.5 26.7 28 31 A G E B 33 0B 34 5,-1.0 5,-2.4 1,-0.0 -1,-0.4 -0.895 360.0 360.0 169.9 153.6 42.6 34.9 26.0 29 32 A S 0 0 141 -2,-0.3 -1,-0.0 3,-0.2 0, 0.0 0.065 360.0 360.0-157.6 360.0 43.3 31.3 25.0 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 48 0, 0.0 2,-0.2 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 173.3 44.9 30.1 19.1 32 37 A S E - C 0 49B 10 17,-1.1 17,-2.6 -21,-0.1 2,-0.4 -0.629 360.0-146.0 -96.5 151.2 45.9 32.7 21.7 33 38 A V E -BC 28 48B 35 -5,-2.4 -6,-2.3 -2,-0.2 -5,-1.0 -0.901 9.1-167.4-117.1 142.0 45.1 36.4 21.5 34 39 A C E -BC 26 47B 0 13,-2.2 13,-2.7 -2,-0.4 2,-0.2 -0.988 21.1-129.5-121.8 139.0 47.1 39.5 22.7 35 40 A A E +BC 25 46B 14 -10,-2.8 -10,-1.6 -2,-0.4 2,-0.3 -0.550 39.5 168.5 -73.9 149.3 45.9 43.1 22.9 36 41 A A E - C 0 45B 7 9,-2.0 9,-2.2 -12,-0.2 2,-0.5 -0.973 37.0-117.3-155.0 171.2 48.2 45.6 21.2 37 42 A F E -BC 22 44B 78 -15,-2.1 -15,-2.7 -2,-0.3 2,-1.1 -0.981 21.8-144.5-116.9 120.9 48.5 49.1 20.0 38 43 A D E >> -BC 21 43B 3 5,-3.0 4,-2.0 -2,-0.5 5,-0.9 -0.786 12.2-166.9 -85.3 100.0 49.0 49.6 16.3 39 44 A T T 45S+ 0 0 73 -19,-3.1 -1,-0.2 -2,-1.1 -18,-0.1 0.751 80.9 60.3 -62.1 -25.6 51.4 52.5 16.2 40 45 A K T 45S+ 0 0 160 -20,-0.2 -1,-0.2 1,-0.2 -19,-0.0 0.939 120.9 20.1 -67.7 -46.1 50.8 53.0 12.5 41 46 A T T 45S- 0 0 70 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.526 99.4-120.7-102.3 -9.0 47.0 53.7 12.6 42 47 A G T <5 + 0 0 44 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.643 67.7 137.4 70.1 19.1 46.6 54.7 16.3 43 48 A L E < -C 38 0B 56 -5,-0.9 -5,-3.0 59,-0.0 2,-0.4 -0.740 58.0-128.2-100.4 145.0 44.2 51.7 16.8 44 49 A R E -C 37 0B 168 -2,-0.3 59,-2.2 -7,-0.2 2,-0.3 -0.776 42.8-176.6 -82.2 129.7 43.9 49.2 19.7 45 50 A V E -CD 36 102B 0 -9,-2.2 -9,-2.0 -2,-0.4 2,-0.5 -0.871 31.2-127.9-130.3 156.1 43.9 45.8 18.0 46 51 A A E -CD 35 101B 14 55,-2.8 55,-2.4 -2,-0.3 2,-0.6 -0.946 21.2-162.1-100.1 127.9 43.6 42.1 18.8 47 52 A V E -CD 34 100B 0 -13,-2.7 -13,-2.2 -2,-0.5 2,-0.5 -0.968 6.6-165.9-110.0 112.8 46.4 39.9 17.4 48 53 A K E -CD 33 99B 58 51,-3.2 51,-2.4 -2,-0.6 2,-0.6 -0.912 7.1-158.0-103.1 124.1 45.5 36.2 17.3 49 54 A K E -CD 32 98B 20 -17,-2.6 -17,-1.1 -2,-0.5 49,-0.2 -0.930 26.6-126.3 -99.5 114.8 48.3 33.7 16.7 50 55 A L - 0 0 12 47,-2.5 2,-0.5 -2,-0.6 47,-0.3 -0.383 17.8-132.0 -64.8 138.8 46.7 30.6 15.3 51 56 A S S S- 0 0 65 1,-0.2 -1,-0.1 2,-0.1 45,-0.0 -0.820 78.7 -16.2 -93.9 131.8 47.5 27.5 17.2 52 57 A R S > S+ 0 0 151 -2,-0.5 3,-1.6 1,-0.1 4,-0.3 0.817 76.1 176.6 49.8 48.9 48.6 24.4 15.2 53 58 A P T 3 S+ 0 0 9 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.729 75.9 24.7 -63.0 -24.0 47.3 25.9 11.9 54 59 A F T 3 S+ 0 0 23 41,-0.2 6,-0.1 1,-0.1 -2,-0.1 -0.017 80.1 123.2-128.7 30.1 48.5 23.1 9.6 55 60 A Q S < S- 0 0 115 -3,-1.6 2,-0.3 2,-0.0 -1,-0.1 0.801 84.6 -5.1 -64.5 -30.8 48.7 20.1 12.0 56 61 A S S > S- 0 0 36 -4,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.902 82.8 -89.2-152.2 174.1 46.3 18.0 9.9 57 62 A I H > S+ 0 0 84 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.930 126.0 48.1 -59.5 -46.6 44.1 18.3 6.8 58 63 A I H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 113.0 46.8 -64.0 -43.3 41.1 19.4 8.9 59 64 A H H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 113.6 49.9 -63.0 -44.1 43.2 22.1 10.8 60 65 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.919 111.3 46.8 -63.2 -45.7 44.7 23.3 7.6 61 66 A K H X S+ 0 0 28 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.893 112.4 51.7 -63.3 -37.7 41.3 23.6 5.8 62 67 A R H X S+ 0 0 122 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.889 107.9 51.7 -63.8 -40.3 39.9 25.4 9.0 63 68 A T H X S+ 0 0 10 -4,-2.3 4,-2.3 -10,-0.4 -2,-0.2 0.951 112.7 45.2 -61.7 -51.2 42.7 27.9 8.9 64 69 A Y H X S+ 0 0 14 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.937 111.4 53.3 -54.1 -52.5 42.0 28.6 5.2 65 70 A R H X S+ 0 0 75 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.903 109.9 47.3 -47.8 -51.6 38.3 28.9 5.9 66 71 A E H X S+ 0 0 35 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.915 114.1 46.8 -62.4 -43.8 38.8 31.5 8.6 67 72 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.913 111.8 49.2 -67.3 -42.6 41.2 33.6 6.6 68 73 A R H X S+ 0 0 37 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.917 114.1 48.3 -61.5 -44.6 39.0 33.5 3.4 69 74 A L H >X S+ 0 0 51 -4,-2.4 4,-1.5 -5,-0.3 3,-0.7 0.966 112.4 45.5 -58.5 -56.7 36.0 34.5 5.5 70 75 A L H 3< S+ 0 0 8 -4,-2.7 11,-0.7 1,-0.3 -1,-0.2 0.873 111.4 53.9 -59.5 -37.7 37.7 37.4 7.4 71 76 A K H 3< S+ 0 0 35 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.787 109.0 49.2 -64.8 -29.1 39.2 38.7 4.1 72 77 A H H << S+ 0 0 37 -4,-1.3 2,-0.7 -3,-0.7 227,-0.2 0.825 87.7 94.1 -78.2 -29.9 35.8 38.8 2.5 73 78 A M < + 0 0 13 -4,-1.5 8,-0.4 -3,-0.1 2,-0.3 -0.537 40.4 158.0 -80.8 111.8 33.9 40.7 5.3 74 79 A K + 0 0 160 -2,-0.7 2,-0.3 6,-0.1 6,-0.1 -0.743 29.1 111.9-135.4 79.9 33.9 44.4 4.6 75 80 A H > - 0 0 19 3,-0.4 3,-1.8 -2,-0.3 53,-0.0 -0.993 69.1-120.3-156.1 140.7 31.1 46.0 6.5 76 81 A E T 3 S+ 0 0 113 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.803 113.4 43.6 -56.6 -28.9 30.8 48.4 9.4 77 82 A N T 3 S+ 0 0 8 79,-0.1 80,-2.3 2,-0.1 2,-0.4 0.116 105.1 71.5-109.6 24.1 28.8 45.9 11.5 78 83 A V B < S-f 157 0C 7 -3,-1.8 -3,-0.4 78,-0.3 80,-0.2 -0.995 89.8-104.6-138.3 138.8 30.9 42.8 10.8 79 84 A I - 0 0 11 78,-2.5 2,-0.3 -2,-0.4 -6,-0.1 -0.372 44.6-172.4 -62.0 139.5 34.3 42.1 12.1 80 85 A G - 0 0 19 -6,-0.1 2,-0.5 -4,-0.1 22,-0.4 -0.790 27.9 -95.4-126.5 177.3 36.9 42.6 9.4 81 86 A L + 0 0 11 -11,-0.7 20,-0.2 -8,-0.4 3,-0.1 -0.840 28.0 179.2-100.4 120.6 40.6 41.9 8.9 82 87 A L S S- 0 0 26 18,-2.7 2,-0.3 -2,-0.5 19,-0.2 0.803 73.2 -15.1 -83.9 -35.1 43.0 44.8 9.6 83 88 A D E -E 100 0B 22 17,-1.4 17,-2.9 245,-0.1 -1,-0.4 -0.982 50.9-162.5-163.3 152.0 46.1 42.8 8.9 84 89 A V E +E 99 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.974 25.8 165.4-138.2 135.8 47.3 39.2 8.4 85 90 A F E -E 98 0B 14 13,-2.2 13,-2.0 -2,-0.3 239,-0.0 -0.990 25.4-160.8-145.6 160.2 51.0 38.3 8.6 86 91 A T - 0 0 14 -2,-0.3 11,-0.1 2,-0.2 -69,-0.1 -0.995 23.1-139.2-132.2 143.7 53.6 35.6 8.9 87 92 A P S S+ 0 0 18 0, 0.0 2,-0.1 0, 0.0 -82,-0.1 0.653 74.7 111.2 -67.7 -16.0 57.3 35.9 10.0 88 93 A A - 0 0 14 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.359 57.4-159.2 -60.0 135.6 58.0 33.4 7.2 89 94 A R S S+ 0 0 164 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.576 76.1 15.9 -86.3 -13.8 60.0 34.8 4.2 90 95 A S S > S- 0 0 27 1,-0.1 4,-0.5 0, 0.0 3,-0.4 -0.961 81.3-101.4-152.9 168.0 58.8 31.9 2.0 91 96 A L T >4 S+ 0 0 59 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.909 120.4 57.8 -61.3 -40.7 56.3 29.1 1.6 92 97 A E T 34 S+ 0 0 170 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.837 112.1 41.8 -59.4 -31.0 58.9 26.6 2.7 93 98 A E T 34 S+ 0 0 100 -3,-0.4 2,-0.8 2,-0.0 -1,-0.3 0.461 86.6 122.5 -86.9 -7.4 59.3 28.6 6.0 94 99 A F << + 0 0 0 -3,-1.4 3,-0.1 -4,-0.5 226,-0.1 -0.454 18.9 124.1 -73.7 104.1 55.5 29.1 6.4 95 100 A N + 0 0 94 -2,-0.8 2,-0.3 1,-0.2 -41,-0.2 0.544 58.2 56.2-129.2 -19.2 54.3 27.7 9.7 96 101 A D - 0 0 55 -3,-0.2 2,-0.4 -43,-0.1 -8,-0.3 -0.932 52.7-167.1-128.9 148.2 52.6 30.5 11.6 97 102 A V - 0 0 2 -2,-0.3 -47,-2.5 -47,-0.3 2,-0.4 -1.000 3.0-167.9-133.3 134.3 49.7 32.8 10.9 98 103 A Y E -DE 49 85B 4 -13,-2.0 -13,-2.2 -2,-0.4 2,-0.4 -0.985 4.9-159.7-126.9 137.5 48.6 35.9 12.8 99 104 A L E -DE 48 84B 5 -51,-2.4 -51,-3.2 -2,-0.4 2,-0.5 -0.936 4.2-158.7-117.2 132.7 45.3 37.7 12.4 100 105 A V E +DE 47 83B 0 -17,-2.9 -18,-2.7 -2,-0.4 -17,-1.4 -0.961 20.2 158.3-118.7 125.7 44.8 41.3 13.4 101 106 A T E -D 46 0B 28 -55,-2.4 -55,-2.8 -2,-0.5 -20,-0.1 -0.833 49.8 -70.0-131.4 171.4 41.4 42.8 14.1 102 107 A H E -D 45 0B 60 -22,-0.4 2,-0.8 -2,-0.3 -57,-0.3 -0.349 49.2-122.0 -54.8 141.5 39.9 45.8 16.0 103 108 A L - 0 0 59 -59,-2.2 2,-0.4 -67,-0.1 -59,-0.1 -0.827 29.9-154.9 -87.5 112.4 40.2 45.3 19.7 104 109 A M - 0 0 48 -2,-0.8 46,-0.1 1,-0.1 3,-0.0 -0.776 9.8-150.4 -96.0 144.0 36.6 45.5 21.0 105 110 A G + 0 0 81 -2,-0.4 2,-0.3 44,-0.2 45,-0.2 0.845 69.3 1.5 -76.2 -37.5 36.0 46.6 24.6 106 111 A A E -G 149 0C 54 43,-1.4 43,-1.5 2,-0.0 2,-0.2 -0.836 54.5-140.8-143.1 167.6 32.8 44.7 25.4 107 112 A D E -G 148 0C 69 -2,-0.3 41,-0.2 41,-0.3 38,-0.2 -0.745 40.3-100.3-122.6-177.8 30.1 42.3 24.1 108 113 A L 0 0 34 36,-1.6 37,-0.2 39,-1.2 40,-0.1 0.588 360.0 360.0 -80.2 -8.8 26.4 42.3 24.7 109 114 A N 0 0 140 35,-0.4 -2,-0.1 38,-0.2 34,-0.0 0.358 360.0 360.0 -76.0 360.0 26.6 39.6 27.4 110 ! 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 0.0 111 120 A Q 0 0 236 0, 0.0 86,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 137.8 18.8 47.6 34.7 112 121 A K - 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0 0 44 1,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.146 14.4-138.8 -61.0 141.8 18.9 25.5 7.2 179 201 A N > - 0 0 76 -3,-0.1 3,-1.6 1,-0.1 4,-0.2 -0.595 25.8-112.7 -90.1 156.9 17.6 28.7 6.0 180 202 A Q T > S+ 0 0 59 1,-0.3 3,-1.9 -2,-0.2 4,-0.5 0.719 111.3 78.8 -54.6 -26.6 19.4 32.0 6.7 181 203 A T T 3> + 0 0 15 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.573 67.8 83.3 -71.6 -1.8 16.4 32.8 8.9 182 204 A V H <> S+ 0 0 2 -3,-1.6 4,-1.4 1,-0.2 -1,-0.3 0.879 91.3 53.2 -52.9 -37.1 17.9 30.6 11.6 183 205 A D H <> S+ 0 0 0 -3,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.810 101.1 57.0 -71.9 -30.3 19.8 33.8 12.3 184 206 A I H > S+ 0 0 1 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.859 102.6 55.7 -68.6 -31.1 16.6 35.9 12.6 185 207 A W H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.966 108.0 49.1 -60.9 -45.3 15.3 33.5 15.3 186 208 A S H X S+ 0 0 3 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.895 108.3 52.8 -64.1 -41.0 18.5 34.3 17.2 187 209 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.918 107.8 52.7 -60.1 -43.0 18.0 38.0 16.7 188 210 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.918 109.2 48.1 -57.7 -44.3 14.5 37.7 18.2 189 211 A C H X S+ 0 0 2 -4,-1.9 4,-1.7 2,-0.2 11,-0.4 0.864 114.0 47.0 -63.3 -38.4 15.9 35.9 21.3 190 212 A I H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.940 113.2 48.4 -70.3 -44.1 18.6 38.6 21.7 191 213 A M H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.929 108.6 54.0 -62.5 -48.8 16.1 41.5 21.2 192 214 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.918 109.9 47.8 -49.6 -49.2 13.6 39.9 23.7 193 215 A E H X S+ 0 0 42 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.853 108.1 53.8 -66.6 -36.4 16.3 39.8 26.3 194 216 A L H < S+ 0 0 24 -4,-2.2 -81,-0.7 1,-0.2 -1,-0.2 0.834 113.1 45.8 -64.9 -31.8 17.4 43.4 25.7 195 217 A L H < S+ 0 0 32 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.864 127.4 24.5 -77.9 -34.3 13.8 44.4 26.2 196 218 A T H < S- 0 0 34 -4,-1.9 -2,-0.2 2,-0.2 -3,-0.2 0.552 92.8-128.1-107.7 -13.6 13.1 42.3 29.4 197 219 A G S < S+ 0 0 57 -4,-2.2 2,-0.3 -5,-0.2 -4,-0.1 0.519 78.8 95.7 61.5 10.7 16.5 41.9 30.9 198 220 A R S S- 0 0 182 -6,-0.3 -2,-0.2 -5,-0.1 -1,-0.2 -0.960 86.1 -96.5-127.1 149.5 15.9 38.1 31.1 199 221 A T - 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0 0 3 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.1 -0.073 37.6 -55.9 91.3 164.2 2.4 27.2 20.1 219 241 A T S S- 0 0 22 24,-1.8 26,-0.1 1,-0.1 50,-0.1 -0.382 76.3 -74.4 -73.7 155.1 2.7 23.7 18.7 220 242 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.319 50.8-136.6 -53.3 131.9 3.2 23.3 14.9 221 243 A G > - 0 0 43 -3,-0.1 4,-2.2 1,-0.0 3,-0.4 -0.264 29.5 -95.7 -84.0 171.9 0.0 24.0 12.8 222 244 A A H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.0 0.880 123.1 57.7 -59.2 -37.2 -1.2 21.8 9.9 223 245 A E H 4 S+ 0 0 104 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.871 110.1 42.8 -60.6 -41.3 0.6 24.1 7.4 224 246 A L H >4 S+ 0 0 27 -3,-0.4 3,-1.8 1,-0.2 -1,-0.2 0.885 108.2 60.1 -72.1 -36.6 3.9 23.6 9.0 225 247 A L H >< S+ 0 0 33 -4,-2.2 3,-1.6 1,-0.3 -2,-0.2 0.822 93.8 65.8 -62.2 -30.8 3.3 19.8 9.4 226 248 A K T 3< S+ 0 0 177 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.708 100.9 50.5 -60.9 -23.8 2.9 19.5 5.6 227 249 A K T < S+ 0 0 84 -3,-1.8 2,-0.7 -4,-0.3 -1,-0.3 0.253 85.1 101.4-101.0 9.3 6.6 20.4 5.2 228 250 A I < + 0 0 9 -3,-1.6 6,-0.1 1,-0.2 -3,-0.0 -0.843 40.2 175.5-101.8 111.1 7.9 17.9 7.7 229 251 A S + 0 0 112 -2,-0.7 2,-0.8 4,-0.0 -1,-0.2 0.702 52.5 99.6 -82.1 -24.3 9.4 14.8 6.0 230 252 A S > - 0 0 52 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.553 57.3-163.2 -72.0 109.3 10.7 13.1 9.2 231 253 A E H > S+ 0 0 131 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.927 89.9 50.4 -59.9 -42.8 8.1 10.5 10.0 232 254 A S H > S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 111.3 49.0 -64.8 -39.7 9.3 10.1 13.6 233 255 A A H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.938 110.9 48.9 -59.5 -52.2 9.2 13.9 14.1 234 256 A R H X S+ 0 0 77 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.896 110.4 53.0 -52.9 -43.3 5.7 14.2 12.7 235 257 A N H X S+ 0 0 84 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.919 111.6 43.8 -64.7 -45.3 4.6 11.4 15.0 236 258 A Y H >X S+ 0 0 145 -4,-2.0 3,-1.0 1,-0.2 4,-0.6 0.952 111.5 53.7 -62.6 -50.7 5.9 13.0 18.1 237 259 A I H >< S+ 0 0 24 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.879 106.3 51.3 -54.5 -39.6 4.6 16.4 17.3 238 260 A Q H 3< S+ 0 0 143 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.730 102.4 62.2 -80.7 -14.0 1.0 15.2 16.8 239 261 A S H << S+ 0 0 84 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.601 85.1 100.7 -76.1 -15.9 1.1 13.4 20.2 240 262 A L S << S- 0 0 43 -3,-1.2 2,-0.2 -4,-0.6 3,-0.0 -0.442 87.4-102.3 -72.7 147.2 1.6 16.8 22.0 241 263 A T - 0 0 124 1,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.516 48.1-104.6 -58.6 131.2 -1.2 18.6 23.7 242 264 A Q - 0 0 163 -2,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.483 42.5-170.3 -63.8 116.7 -2.2 21.4 21.3 243 265 A M - 0 0 73 -2,-0.4 -24,-1.8 -23,-0.1 2,-0.1 -0.942 15.2-131.4-111.5 136.8 -0.9 24.7 22.7 244 266 A P - 0 0 107 0, 0.0 2,-0.4 0, 0.0 -26,-0.3 -0.442 30.9 -94.7 -82.5 155.4 -2.0 28.0 21.2 245 267 A K - 0 0 101 -28,-0.2 -28,-0.2 -2,-0.1 -29,-0.1 -0.585 43.8-124.5 -65.0 121.7 0.4 30.8 20.3 246 268 A M - 0 0 63 -30,-1.8 2,-0.6 -2,-0.4 -1,-0.1 -0.239 24.1-109.0 -57.5 150.3 0.6 33.3 23.3 247 269 A N > - 0 0 91 1,-0.1 3,-1.2 3,-0.0 4,-0.1 -0.841 27.2-147.4 -82.5 123.0 -0.2 37.0 22.5 248 270 A F G >> S+ 0 0 1 -2,-0.6 4,-2.2 1,-0.3 3,-1.7 0.752 91.8 67.6 -69.1 -28.3 3.3 38.5 22.7 249 271 A A G 34 S+ 0 0 45 1,-0.3 5,-0.3 2,-0.2 -1,-0.3 0.808 99.9 51.8 -59.0 -26.9 1.9 41.8 24.1 250 272 A N G <4 S+ 0 0 126 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.389 113.9 44.3 -91.2 3.0 1.0 39.9 27.2 251 273 A V T <4 S+ 0 0 46 -3,-1.7 2,-0.5 1,-0.1 -2,-0.2 0.643 113.9 45.3-110.1 -34.1 4.5 38.6 27.5 252 274 A F S >< S- 0 0 7 -4,-2.2 3,-1.7 3,-0.1 -1,-0.1 -0.652 86.8-164.3-109.7 69.9 6.6 41.7 26.8 253 275 A I T 3 + 0 0 133 -2,-0.5 -3,-0.1 1,-0.3 3,-0.1 -0.334 66.9 4.3 -68.5 128.6 4.6 44.1 29.0 254 276 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -5,-0.3 2,-0.1 0.381 92.1 138.0 88.0 -5.1 5.2 47.7 28.4 255 277 A A S < S- 0 0 25 -3,-1.7 -1,-0.3 -6,-0.2 -3,-0.1 -0.390 71.1 -81.5 -69.2 150.1 7.5 47.3 25.4 256 278 A N >> - 0 0 43 1,-0.2 4,-2.1 -3,-0.1 3,-0.9 -0.297 39.8-130.0 -43.1 122.5 7.1 49.5 22.4 257 279 A P H 3> S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.819 109.4 56.6 -52.8 -31.0 4.2 48.0 20.4 258 280 A L H 3> S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.868 105.1 51.6 -69.1 -36.7 6.4 48.2 17.3 259 281 A A H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.926 110.0 48.9 -62.8 -46.9 9.1 46.1 19.1 260 282 A V H X S+ 0 0 11 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.909 109.9 51.6 -60.9 -43.7 6.5 43.5 20.0 261 283 A D H X S+ 0 0 60 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.928 110.6 48.1 -57.8 -45.2 5.2 43.4 16.4 262 284 A L H >X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 3,-0.7 0.921 109.0 53.8 -64.4 -41.7 8.7 42.9 15.1 263 285 A L H >X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 3,-0.5 0.889 104.6 55.3 -60.7 -39.8 9.3 40.1 17.7 264 286 A E H 3< S+ 0 0 48 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.800 108.7 48.6 -61.1 -31.2 6.1 38.3 16.4 265 287 A K H << S+ 0 0 90 -4,-1.2 10,-2.2 -3,-0.7 -1,-0.2 0.688 116.6 41.3 -82.9 -21.9 7.5 38.4 12.9 266 288 A M H << S+ 0 0 0 -4,-1.1 2,-1.4 -3,-0.5 -2,-0.2 0.836 106.4 61.3 -90.7 -41.7 11.0 36.9 14.0 267 289 A L S < S+ 0 0 3 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.412 70.3 131.2 -93.8 63.7 9.9 34.3 16.4 268 290 A V - 0 0 41 -2,-1.4 6,-0.1 -3,-0.2 5,-0.1 -0.887 56.2-138.4-111.4 136.0 7.8 32.1 14.1 269 291 A L S S+ 0 0 33 -2,-0.4 2,-0.7 -52,-0.2 -99,-0.2 0.942 88.9 75.6 -62.1 -44.7 8.4 28.3 14.2 270 292 A D S >> S- 0 0 13 1,-0.2 3,-1.9 -3,-0.1 4,-0.6 -0.552 72.9-154.8 -71.9 108.9 8.2 28.0 10.4 271 293 A S G >4 S+ 0 0 20 -2,-0.7 3,-0.8 1,-0.3 -1,-0.2 0.820 90.3 63.8 -61.7 -27.8 11.4 29.4 9.1 272 294 A D G 34 S+ 0 0 94 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.709 103.0 48.4 -64.7 -23.4 9.8 30.2 5.8 273 295 A K G <4 S+ 0 0 120 -3,-1.9 -1,-0.2 2,-0.1 2,-0.2 0.478 86.1 109.3-100.0 -4.9 7.4 32.7 7.4 274 296 A R S << S- 0 0 8 -3,-0.8 -8,-0.2 -4,-0.6 -9,-0.1 -0.504 78.5-104.9 -68.3 140.5 10.1 34.6 9.5 275 297 A I - 0 0 18 -10,-2.2 2,-0.1 -2,-0.2 -1,-0.1 -0.318 35.9-126.4 -57.4 144.1 10.9 38.1 8.4 276 298 A T > - 0 0 55 1,-0.1 4,-2.5 -3,-0.1 5,-0.1 -0.429 21.7-108.3 -87.3 167.1 14.3 38.4 6.6 277 299 A A H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -147,-0.2 0.936 120.8 49.4 -59.7 -43.9 17.1 40.9 7.6 278 300 A A H > S+ 0 0 50 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.911 113.7 45.7 -65.2 -42.3 16.4 43.1 4.6 279 301 A Q H >4 S+ 0 0 113 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.891 110.5 54.9 -63.6 -41.6 12.7 43.2 5.4 280 302 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 6,-0.3 0.851 98.3 60.9 -64.1 -34.3 13.3 43.8 9.1 281 303 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.799 104.3 51.4 -63.1 -27.1 15.4 46.9 8.4 282 304 A A T << S+ 0 0 64 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.441 84.2 116.3 -87.1 0.9 12.3 48.4 6.7 283 305 A H S X S- 0 0 21 -3,-1.6 3,-2.1 -4,-0.2 7,-0.1 -0.400 78.0-118.1 -75.7 146.4 10.1 47.7 9.7 284 306 A A G > S+ 0 0 57 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.736 106.9 75.6 -62.0 -19.9 8.7 50.8 11.4 285 307 A Y G 3 S+ 0 0 2 1,-0.3 3,-0.3 -27,-0.3 -1,-0.3 0.857 101.3 44.7 -55.5 -32.3 10.5 50.0 14.7 286 308 A F G X> S+ 0 0 0 -3,-2.1 4,-2.6 -6,-0.3 3,-2.1 0.231 74.8 123.4 -96.1 15.9 13.7 51.2 13.0 287 309 A A T <4 S+ 0 0 78 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.788 71.9 52.9 -53.2 -34.6 12.3 54.3 11.4 288 310 A Q T 34 S+ 0 0 107 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.700 121.6 29.1 -74.9 -21.7 14.8 56.6 13.0 289 311 A Y T <4 S+ 0 0 64 -3,-2.1 -2,-0.2 -8,-0.1 -1,-0.2 0.680 89.7 111.2-106.7 -26.4 17.9 54.6 11.8 290 312 A H < + 0 0 60 -4,-2.6 5,-0.1 -7,-0.1 -8,-0.1 -0.290 30.7 165.8 -63.0 126.4 16.7 53.0 8.5 291 313 A D > - 0 0 70 3,-0.1 3,-2.0 1,-0.1 -9,-0.0 -0.870 21.5-161.2-140.5 104.1 18.4 54.3 5.3 292 314 A P T 3 S+ 0 0 82 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.629 92.2 54.9 -62.3 -16.9 17.8 52.0 2.3 293 315 A D T 3 S+ 0 0 152 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.284 108.7 50.4 -96.3 7.4 20.7 53.6 0.4 294 316 A D S < S+ 0 0 71 -3,-2.0 -1,-0.2 1,-0.1 -3,-0.1 -0.129 81.4 90.3-135.8 40.8 23.1 52.8 3.3 295 317 A E - 0 0 11 -3,-0.5 -1,-0.1 -5,-0.1 -14,-0.0 -0.680 68.9-164.4-130.8 69.2 22.4 49.1 4.0 296 318 A P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.064 8.5-139.7 -67.5 161.6 25.0 47.6 1.6 297 319 A V - 0 0 90 -163,-0.1 2,-0.3 -164,-0.1 -166,-0.1 -0.661 20.4-105.1-118.9 169.1 25.4 44.1 0.4 298 320 A A - 0 0 14 -167,-0.5 3,-0.1 -168,-0.2 -225,-0.1 -0.644 26.6-108.1-100.5 147.5 28.3 41.8 -0.1 299 321 A D - 0 0 121 -2,-0.3 -1,-0.1 -227,-0.2 -227,-0.0 -0.365 60.2 -79.1 -57.7 154.5 30.1 40.6 -3.2 300 322 A P - 0 0 118 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.290 47.6-137.4 -63.9 142.5 29.4 37.0 -4.0 301 323 A Y - 0 0 20 -166,-0.4 2,-1.1 -167,-0.1 -232,-0.0 -0.932 6.3-139.0-111.3 119.1 31.5 34.7 -1.7 302 324 A D + 0 0 93 -2,-0.6 3,-0.4 1,-0.2 -167,-0.0 -0.613 31.6 164.0 -81.6 96.3 33.1 31.6 -3.3 303 325 A Q > + 0 0 73 -2,-1.1 3,-1.8 1,-0.2 4,-0.3 0.117 38.4 116.9 -95.7 22.4 32.7 28.7 -0.9 304 326 A S G > + 0 0 41 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.777 62.7 71.3 -61.3 -25.8 33.5 26.1 -3.5 305 327 A F G > S+ 0 0 2 -3,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.798 82.4 72.0 -61.4 -27.1 36.6 25.1 -1.5 306 328 A E G < S+ 0 0 62 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.787 94.8 52.0 -59.9 -27.8 34.3 23.6 1.1 307 329 A S G < S+ 0 0 100 -3,-1.5 -1,-0.3 -4,-0.3 2,-0.2 0.499 95.1 98.0 -84.1 -3.2 33.5 20.7 -1.4 308 330 A R < - 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