==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-NOV-01 1KE5 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.N.BRAMSON,J.CORONA,S.T.DAVIS,S.H.DICKERSON,M.EDELSTEIN, . 281 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 2 0 1 0 0 0 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 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 1 A M > 0 0 99 0, 0.0 3,-1.8 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 123.8 -20.5 50.9 54.2 2 2 A E T 3 + 0 0 100 1,-0.3 22,-0.0 3,-0.1 3,-0.0 0.422 360.0 74.2 -70.9 3.2 -24.2 50.8 53.7 3 3 A N T 3 S+ 0 0 53 20,-0.0 21,-1.6 21,-0.0 22,-0.5 0.455 91.1 63.9 -95.0 -2.6 -23.8 54.0 51.6 4 4 A F E < -A 23 0A 26 -3,-1.8 2,-0.7 19,-0.2 19,-0.2 -0.968 68.4-147.2-126.7 138.5 -22.3 52.0 48.7 5 5 A Q E -A 22 0A 95 17,-2.2 17,-1.7 -2,-0.4 2,-0.3 -0.901 24.3-133.3-105.0 109.9 -23.8 49.3 46.4 6 6 A K E -A 21 0A 125 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.467 24.2-178.8 -65.4 120.2 -21.2 46.8 45.4 7 7 A V E - 0 0 65 13,-2.9 2,-0.3 -2,-0.3 14,-0.2 0.874 60.5 -35.7 -86.7 -44.4 -21.5 46.2 41.6 8 8 A E E -A 20 0A 107 12,-1.3 12,-2.6 3,-0.0 2,-0.5 -0.940 60.5 -91.0-175.8 154.8 -18.7 43.6 41.2 9 9 A K E -A 19 0A 121 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.637 29.2-173.5 -77.2 121.1 -15.3 42.5 42.4 10 10 A I E - 0 0 89 8,-2.6 2,-0.2 -2,-0.5 9,-0.2 0.689 58.3 -70.9 -86.5 -20.9 -12.6 44.1 40.2 11 11 A G E -A 18 0A 26 7,-1.3 7,-2.8 -3,-0.1 -1,-0.3 -0.761 46.9 -77.5 147.9 165.9 -9.9 42.2 41.9 12 12 A E E -A 17 0A 159 5,-0.2 5,-0.2 -2,-0.2 2,-0.2 -0.615 42.3-162.7 -93.1 155.2 -7.7 41.5 45.0 13 13 A G - 0 0 38 3,-2.1 3,-0.4 -2,-0.2 -1,-0.0 -0.691 37.6 -97.1-129.1-177.5 -4.8 43.7 46.0 14 14 A T S S+ 0 0 78 -2,-0.2 3,-0.1 1,-0.2 135,-0.0 0.683 126.9 26.9 -73.5 -18.1 -1.7 43.7 48.1 15 15 A Y S S- 0 0 66 1,-0.4 21,-2.2 21,-0.1 2,-0.3 0.195 130.4 -44.7-129.5 15.2 -3.7 45.6 50.7 16 16 A G E - B 0 35A 9 -3,-0.4 -3,-2.1 19,-0.3 -1,-0.4 -0.877 69.9 -53.3 147.8 179.8 -7.3 44.5 50.1 17 17 A V E -AB 12 34A 16 17,-1.2 17,-2.0 -2,-0.3 2,-0.5 -0.641 40.9-144.4 -93.4 150.1 -10.1 43.8 47.7 18 18 A V E -AB 11 33A 30 -7,-2.8 -8,-2.6 -2,-0.2 -7,-1.3 -0.960 17.2-175.8-118.4 128.0 -11.3 46.3 45.1 19 19 A Y E -AB 9 32A 24 13,-3.2 13,-3.5 -2,-0.5 2,-0.5 -0.929 28.0-129.2-122.9 147.7 -14.9 46.7 44.1 20 20 A K E +AB 8 31A 43 -12,-2.6 -13,-2.9 -2,-0.4 -12,-1.3 -0.810 47.4 169.8 -86.9 132.5 -16.7 48.8 41.5 21 21 A A E -AB 6 30A 0 9,-2.5 9,-3.0 -2,-0.5 2,-0.4 -0.968 34.0-126.7-145.8 161.2 -19.5 50.4 43.5 22 22 A R E -AB 5 29A 95 -17,-1.7 -17,-2.2 -2,-0.3 2,-1.0 -0.926 22.1-129.3-113.2 134.7 -22.1 53.1 43.3 23 23 A N E >> -A 4 0A 21 5,-3.1 4,-4.1 -2,-0.4 3,-2.5 -0.708 15.4-158.6 -81.9 102.9 -22.5 55.9 45.8 24 24 A K T 34 S+ 0 0 140 -21,-1.6 -1,-0.2 -2,-1.0 -20,-0.1 0.673 91.0 53.5 -56.5 -17.2 -26.1 55.8 46.7 25 25 A L T 34 S+ 0 0 74 -22,-0.5 -1,-0.3 3,-0.1 -21,-0.1 0.391 127.7 16.7 -99.5 2.6 -25.9 59.4 48.0 26 26 A T T <4 S- 0 0 83 -3,-2.5 -2,-0.2 2,-0.1 3,-0.1 0.408 91.2-126.8-147.1 -13.5 -24.4 60.8 44.8 27 27 A G < + 0 0 46 -4,-4.1 -3,-0.2 1,-0.3 2,-0.1 0.440 61.0 145.7 74.5 -2.0 -25.1 58.1 42.1 28 28 A E - 0 0 98 -5,-0.4 -5,-3.1 -6,-0.1 2,-0.5 -0.344 49.3-131.0 -69.8 147.6 -21.4 58.2 41.3 29 29 A V E +B 22 0A 53 -7,-0.2 47,-0.6 -3,-0.1 2,-0.2 -0.877 39.9 163.7 -99.3 128.7 -19.5 55.1 40.2 30 30 A V E -BC 21 75A 3 -9,-3.0 -9,-2.5 -2,-0.5 2,-0.6 -0.809 43.0-105.3-137.7 176.4 -16.3 54.6 42.2 31 31 A A E -BC 20 74A 13 43,-2.7 43,-2.9 -2,-0.2 2,-0.6 -0.945 34.4-157.8-109.2 114.1 -13.6 52.1 43.1 32 32 A L E -BC 19 73A 8 -13,-3.5 -13,-3.2 -2,-0.6 2,-0.6 -0.832 5.0-165.7 -97.6 123.4 -14.1 50.9 46.6 33 33 A K E -BC 18 72A 3 39,-3.2 39,-3.0 -2,-0.6 2,-0.8 -0.924 5.7-159.6-113.8 111.4 -11.0 49.4 48.3 34 34 A K E -BC 17 71A 80 -17,-2.0 -17,-1.2 -2,-0.6 2,-0.3 -0.806 22.9-137.7 -88.2 110.1 -11.7 47.5 51.6 35 35 A I E BC 16 70A 47 35,-2.7 35,-0.5 -2,-0.8 -19,-0.3 -0.516 360.0 360.0 -77.0 134.1 -8.3 47.4 53.3 36 36 A R 0 0 121 -21,-2.2 -20,-0.2 -2,-0.3 -1,-0.2 0.812 360.0 360.0-108.3 360.0 -7.1 44.2 55.0 37 ! 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 38 44 A V 0 0 71 0, 0.0 5,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 119.8 -6.1 50.7 62.3 39 45 A P > - 0 0 87 0, 0.0 4,-1.4 0, 0.0 0, 0.0 -0.204 360.0-132.8 -54.9 145.1 -2.7 52.3 63.1 40 46 A S H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.888 106.2 54.9 -68.4 -40.2 -2.8 56.1 63.6 41 47 A T H > S+ 0 0 95 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.867 104.4 55.1 -61.3 -37.0 0.2 56.7 61.3 42 48 A A H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.922 106.7 50.6 -61.8 -44.5 -1.6 54.8 58.6 43 49 A I H X S+ 0 0 39 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.909 114.8 43.0 -59.7 -43.9 -4.6 57.1 58.9 44 50 A R H X S+ 0 0 164 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.883 112.9 52.1 -71.3 -38.6 -2.3 60.2 58.6 45 51 A E H X S+ 0 0 61 -4,-3.1 4,-0.9 1,-0.2 -2,-0.2 0.885 112.8 45.5 -64.1 -38.9 -0.2 58.6 55.8 46 52 A I H X S+ 0 0 4 -4,-2.6 4,-0.7 1,-0.2 3,-0.4 0.875 105.3 62.3 -70.6 -37.7 -3.4 58.0 53.9 47 53 A S H >< S+ 0 0 46 -4,-2.0 3,-0.6 1,-0.2 4,-0.4 0.821 99.8 54.1 -57.4 -34.5 -4.7 61.5 54.6 48 54 A L H >< S+ 0 0 105 -4,-1.3 3,-1.5 1,-0.2 4,-0.4 0.872 97.2 64.8 -68.8 -37.4 -1.8 63.0 52.8 49 55 A L H >< S+ 0 0 3 -4,-0.9 3,-0.7 -3,-0.4 11,-0.4 0.713 90.9 65.8 -59.1 -22.4 -2.6 61.0 49.6 50 56 A K T << S+ 0 0 54 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.795 98.1 52.6 -70.5 -28.2 -5.9 62.9 49.3 51 57 A E T < S+ 0 0 137 -3,-1.5 2,-1.5 -4,-0.4 -1,-0.2 0.530 84.0 99.9 -83.1 -7.9 -4.0 66.1 48.6 52 58 A L < + 0 0 11 -3,-0.7 2,-0.5 -4,-0.4 8,-0.3 -0.628 53.5 169.9 -82.9 87.9 -2.0 64.4 45.9 53 59 A N + 0 0 89 -2,-1.5 5,-0.1 6,-0.1 -3,-0.0 -0.889 9.2 136.2-108.9 127.8 -3.9 65.7 42.8 54 60 A H > - 0 0 44 -2,-0.5 3,-1.6 3,-0.4 5,-0.0 -0.957 57.8-115.1-162.4 145.6 -2.6 65.2 39.2 55 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.684 114.2 49.4 -61.7 -17.4 -4.2 64.1 35.9 56 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.3 48,-0.1 2,-0.4 0.115 97.3 81.1-110.6 23.8 -2.1 60.9 35.7 57 63 A I B < S-e 137 0B 2 -3,-1.6 -3,-0.4 79,-0.3 2,-0.4 -0.996 86.4-115.2-129.5 128.0 -2.8 59.7 39.2 58 64 A V - 0 0 4 79,-2.9 2,-0.2 -2,-0.4 82,-0.2 -0.486 42.5-119.6 -63.6 119.3 -6.0 57.9 40.2 59 65 A K - 0 0 100 -2,-0.4 16,-2.0 -4,-0.1 2,-0.9 -0.400 10.3-139.5 -69.3 132.1 -7.7 60.3 42.7 60 66 A L E -D 74 0A 4 -11,-0.4 14,-0.3 -8,-0.3 3,-0.1 -0.829 23.5-178.0 -89.5 109.2 -8.4 59.2 46.2 61 67 A L E - 0 0 52 12,-2.4 2,-0.3 -2,-0.9 13,-0.2 0.930 56.4 -7.0 -75.8 -50.5 -11.8 60.6 46.8 62 68 A D E -D 73 0A 105 11,-1.5 11,-3.0 2,-0.0 2,-0.5 -0.992 49.0-142.4-151.1 156.5 -12.5 59.7 50.5 63 69 A V E -D 72 0A 35 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.985 19.3-165.5-119.7 118.9 -11.2 57.7 53.4 64 70 A I E +D 71 0A 35 7,-2.8 7,-2.2 -2,-0.5 2,-0.7 -0.918 9.2 179.4-113.9 112.5 -13.8 56.0 55.5 65 71 A H E +D 70 0A 80 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.866 22.1 152.0-111.5 94.0 -12.7 54.7 58.9 66 72 A T E > +D 69 0A 63 3,-1.2 3,-1.8 -2,-0.7 -2,-0.1 -0.959 61.7 0.4-127.5 145.8 -15.7 53.1 60.6 67 73 A E T 3 S- 0 0 147 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.863 127.7 -60.3 46.2 44.8 -16.0 50.3 63.1 68 74 A N T 3 S+ 0 0 137 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.782 114.9 114.6 56.5 30.9 -12.2 50.0 63.2 69 75 A K E < - D 0 66A 98 -3,-1.8 -3,-1.2 -31,-0.1 2,-0.5 -0.929 57.3-137.7-128.1 152.7 -12.2 49.1 59.5 70 76 A L E +CD 35 65A 11 -35,-0.5 -35,-2.7 -2,-0.3 2,-0.4 -0.951 19.2 175.7-120.8 128.1 -10.7 51.1 56.6 71 77 A Y E -CD 34 64A 42 -7,-2.2 -7,-2.8 -2,-0.5 2,-0.5 -0.992 14.4-154.8-126.9 132.6 -12.2 51.6 53.1 72 78 A L E -CD 33 63A 0 -39,-3.0 -39,-3.2 -2,-0.4 2,-0.6 -0.918 5.1-152.6-110.1 132.4 -10.7 53.8 50.4 73 79 A V E +CD 32 62A 8 -11,-3.0 -12,-2.4 -2,-0.5 -11,-1.5 -0.917 21.5 175.5-108.1 114.4 -12.8 55.4 47.8 74 80 A F E -CD 31 60A 15 -43,-2.9 -43,-2.7 -2,-0.6 -14,-0.2 -0.718 38.1 -93.5-113.5 164.3 -11.0 56.1 44.5 75 81 A E E -C 30 0A 47 -16,-2.0 2,-0.4 -2,-0.2 -45,-0.2 -0.445 48.7-122.6 -70.7 152.8 -12.1 57.4 41.0 76 82 A F - 0 0 39 -47,-0.6 2,-0.4 -2,-0.1 -47,-0.1 -0.841 27.0-176.5-107.7 137.0 -13.0 54.6 38.7 77 83 A L - 0 0 15 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.971 26.8-130.5-126.4 143.9 -11.5 53.8 35.3 78 84 A H S S+ 0 0 108 -2,-0.4 2,-0.3 51,-0.1 52,-0.1 0.616 78.2 27.8 -73.5 -16.9 -12.8 50.9 33.1 79 85 A Q E -F 129 0B 11 50,-1.1 50,-2.9 204,-0.1 2,-0.2 -0.999 59.4-142.1-149.4 147.6 -9.6 49.0 32.1 80 86 A D E > -F 128 0B 44 -2,-0.3 4,-1.6 48,-0.2 48,-0.3 -0.677 35.3-110.0-100.9 161.1 -6.1 48.3 33.3 81 87 A L H > S+ 0 0 0 46,-2.8 4,-2.8 43,-1.0 5,-0.2 0.828 113.5 61.6 -58.7 -35.2 -3.0 48.1 31.0 82 88 A K H > S+ 0 0 76 42,-0.7 4,-2.5 45,-0.2 -1,-0.2 0.959 105.8 44.7 -57.7 -53.4 -2.7 44.3 31.4 83 89 A K H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 113.1 53.0 -60.2 -35.7 -6.1 43.6 29.9 84 90 A F H X S+ 0 0 13 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.917 108.6 48.8 -67.0 -41.3 -5.4 46.1 27.2 85 91 A M H >< S+ 0 0 23 -4,-2.8 3,-0.7 1,-0.2 4,-0.2 0.915 110.3 51.2 -64.8 -41.5 -2.1 44.3 26.3 86 92 A D H >< S+ 0 0 98 -4,-2.5 3,-1.5 1,-0.3 4,-0.3 0.927 108.6 51.7 -60.0 -44.1 -3.8 41.0 26.2 87 93 A A H 3< S+ 0 0 49 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.686 114.8 43.4 -66.2 -18.1 -6.5 42.4 23.8 88 94 A S T > - 0 0 80 0, 0.0 4,-2.1 0, 0.0 3,-1.3 -0.324 24.9-120.3 -59.9 139.2 1.2 50.9 18.2 95 101 A L H 3> S+ 0 0 68 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.797 109.8 59.3 -48.8 -39.1 4.4 52.8 19.1 96 102 A P H 3> S+ 0 0 69 0, 0.0 4,-1.7 0, 0.0 179,-0.4 0.877 110.4 43.1 -61.8 -34.1 2.8 56.2 19.1 97 103 A L H <> S+ 0 0 5 -3,-1.3 4,-2.9 2,-0.2 5,-0.2 0.874 111.6 52.9 -77.4 -40.1 0.4 55.0 21.9 98 104 A I H X S+ 0 0 5 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.943 111.7 47.7 -58.6 -46.1 3.2 53.2 23.8 99 105 A K H X S+ 0 0 10 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.903 111.5 50.2 -61.7 -43.3 5.1 56.5 23.7 100 106 A S H X S+ 0 0 4 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.928 112.2 46.4 -61.3 -48.0 2.1 58.5 24.8 101 107 A Y H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.926 113.4 48.7 -62.1 -45.5 1.4 56.2 27.8 102 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.920 110.9 51.0 -60.7 -45.1 5.1 56.1 28.9 103 109 A F H X S+ 0 0 54 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.906 112.3 46.2 -59.6 -44.3 5.3 60.0 28.6 104 110 A Q H X S+ 0 0 12 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.897 110.6 52.4 -66.8 -41.9 2.1 60.4 30.8 105 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.891 108.3 51.4 -62.7 -38.9 3.3 57.8 33.4 106 112 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.866 107.6 52.5 -66.5 -35.6 6.6 59.6 33.8 107 113 A Q H X S+ 0 0 66 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.939 111.3 48.3 -64.3 -42.6 4.7 62.9 34.3 108 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.935 114.4 44.0 -61.0 -49.2 2.8 61.1 37.0 109 115 A L H X S+ 0 0 4 -4,-2.8 4,-3.5 2,-0.2 5,-0.3 0.908 109.7 55.6 -63.4 -44.1 5.9 59.7 38.7 110 116 A A H X S+ 0 0 18 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.933 110.6 47.0 -54.7 -45.0 7.8 63.0 38.4 111 117 A F H X S+ 0 0 47 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.935 115.4 43.8 -61.9 -49.9 4.9 64.6 40.3 112 118 A C H ><>S+ 0 0 7 -4,-2.3 5,-2.5 1,-0.2 3,-0.8 0.928 113.5 51.0 -61.9 -47.2 4.7 61.9 43.0 113 119 A H H ><5S+ 0 0 24 -4,-3.5 3,-2.1 1,-0.3 -1,-0.2 0.876 103.0 58.8 -60.7 -38.0 8.5 61.8 43.4 114 120 A S H 3<5S+ 0 0 77 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.807 108.2 47.4 -62.4 -26.9 8.8 65.5 43.8 115 121 A H T <<5S- 0 0 87 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.291 121.0-113.2 -94.4 9.3 6.4 65.1 46.8 116 122 A R T < 5 + 0 0 204 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.814 69.4 142.3 63.4 33.0 8.6 62.2 48.1 117 123 A V < - 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0 0 42 -3,-1.7 -5,-0.0 -61,-0.3 3,-0.0 -0.559 43.5-163.6 -75.3 142.2 24.5 39.6 48.1 222 237 A K > - 0 0 110 -2,-0.2 3,-2.0 1,-0.1 -2,-0.1 -0.995 24.4-142.8-130.8 129.9 26.5 36.3 47.9 223 238 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.730 100.6 69.5 -60.3 -19.0 30.0 36.0 46.4 224 239 A S T 3 + 0 0 104 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.361 67.8 126.8 -82.6 5.3 28.8 32.7 45.0 225 240 A F S < S- 0 0 18 -3,-2.0 -19,-0.0 1,-0.1 -4,-0.0 -0.388 70.7-104.6 -61.9 138.1 26.4 34.3 42.5 226 241 A P - 0 0 52 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.305 30.9-120.6 -63.6 150.9 27.1 32.9 39.0 227 242 A K + 0 0 172 -3,-0.1 2,-0.4 -22,-0.1 -25,-0.0 -0.834 37.1 177.5 -97.9 107.8 28.9 35.3 36.7 228 243 A W - 0 0 76 -2,-0.8 -22,-2.3 -27,-0.1 2,-0.2 -0.859 24.8-124.9-110.8 146.3 26.9 36.1 33.6 229 244 A A - 0 0 85 -2,-0.4 -24,-0.5 -24,-0.2 2,-0.2 -0.521 32.9-100.2 -85.7 155.4 27.8 38.5 30.8 230 245 A R - 0 0 128 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.478 34.9-137.6 -75.2 144.0 25.6 41.4 29.7 231 246 A Q - 0 0 70 -28,-2.8 2,-0.4 -2,-0.2 -1,-0.1 -0.578 24.6 -97.6 -98.1 165.4 23.4 40.9 26.6 232 247 A D >> - 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0 0 83 -179,-0.4 -2,-0.0 -2,-0.0 -1,-0.0 -0.796 36.8-111.8-137.5 178.4 1.4 62.8 20.6 276 291 A K - 0 0 132 -2,-0.2 -179,-0.1 -176,-0.0 -142,-0.1 -0.690 37.3-177.3-120.6 79.3 -1.8 61.7 22.4 277 292 A P - 0 0 39 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.305 26.0-124.9 -71.1 158.2 -3.6 59.1 20.3 278 293 A V - 0 0 106 -145,-0.0 2,-0.1 -2,-0.0 -146,-0.1 -0.925 27.3-138.6-105.1 126.2 -6.9 57.7 21.4 279 294 A P - 0 0 17 0, 0.0 2,-0.9 0, 0.0 -146,-0.0 -0.408 17.0-112.6 -80.7 160.0 -6.9 53.9 21.6 280 295 A H - 0 0 141 -2,-0.1 2,-0.4 2,-0.0 -149,-0.0 -0.839 43.1-169.5 -94.0 105.1 -9.7 51.6 20.5 281 296 A L - 0 0 25 -2,-0.9 2,-0.7 -150,-0.1 -150,-0.0 -0.803 18.2-153.0-102.5 140.3 -11.0 50.2 23.7 282 297 A R 0 0 138 -2,-0.4 -195,-0.0 -198,-0.0 -2,-0.0 -0.929 360.0 360.0-110.7 107.3 -13.5 47.4 24.1 283 298 A L 0 0 141 -2,-0.7 -204,-0.1 -204,-0.0 -205,-0.0 -0.732 360.0 360.0-103.7 360.0 -15.4 47.7 27.3