==== 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 1KE7 . 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) . 14367.0 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 . 39 13.9 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 . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.8 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 . 3 1.1 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 1 1 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 53 0, 0.0 3,-1.8 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -53.1 -20.1 50.5 26.5 2 2 A E T 3 + 0 0 172 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.763 360.0 64.7 -62.1 -26.3 -23.9 50.6 26.8 3 3 A N T 3 S+ 0 0 104 20,-0.1 21,-1.8 21,-0.0 22,-0.5 0.471 94.6 72.1 -78.1 -3.2 -23.8 53.7 24.6 4 4 A F E < -A 23 0A 17 -3,-1.8 2,-0.8 19,-0.2 19,-0.2 -0.944 65.8-150.6-121.5 138.8 -22.4 51.7 21.6 5 5 A Q E -A 22 0A 101 17,-2.2 17,-1.6 -2,-0.4 2,-0.1 -0.884 25.6-137.7-104.1 101.0 -24.1 49.2 19.4 6 6 A K E +A 21 0A 91 -2,-0.8 15,-0.2 15,-0.2 3,-0.1 -0.389 25.6 177.1 -62.8 130.0 -21.4 46.8 18.3 7 7 A V E - 0 0 73 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.873 60.2 -10.6 -97.1 -61.1 -21.8 45.9 14.6 8 8 A E E -A 20 0A 119 12,-1.0 12,-2.9 3,-0.0 2,-0.8 -0.941 63.9-109.3-140.1 161.9 -18.8 43.7 13.8 9 9 A K E -A 19 0A 105 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.844 27.5-168.6 -92.9 111.6 -15.6 42.4 15.3 10 10 A I E - 0 0 84 8,-1.8 2,-0.2 -2,-0.8 9,-0.2 0.775 54.3 -73.2 -72.6 -26.9 -12.9 44.2 13.3 11 11 A G E -A 18 0A 21 7,-1.5 7,-2.6 -3,-0.1 2,-0.5 -0.705 47.4 -72.0 147.5 161.1 -10.2 42.0 14.8 12 12 A E E -A 17 0A 128 5,-0.2 5,-0.2 -2,-0.2 2,-0.1 -0.706 48.3-163.7 -85.4 126.8 -8.0 41.2 17.8 13 13 A G - 0 0 38 3,-3.6 -1,-0.0 -2,-0.5 4,-0.0 -0.250 35.8 -95.6 -98.3-171.2 -5.3 43.7 18.6 14 14 A T S S+ 0 0 74 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.764 124.7 23.5 -76.5 -27.1 -2.2 43.7 20.7 15 15 A Y S S- 0 0 57 1,-0.3 21,-2.7 21,-0.1 2,-0.3 0.233 131.8 -31.8-123.1 11.6 -4.0 45.2 23.7 16 16 A G E S- B 0 35A 10 19,-0.3 -3,-3.6 20,-0.1 2,-0.3 -0.938 72.6 -59.2 159.6 177.8 -7.6 44.3 23.0 17 17 A V E -AB 12 34A 36 17,-1.0 17,-2.7 -2,-0.3 2,-0.5 -0.699 41.1-146.4 -92.0 142.2 -10.4 43.5 20.6 18 18 A V E -AB 11 33A 28 -7,-2.6 -8,-1.8 -2,-0.3 -7,-1.5 -0.926 15.5-172.3-112.1 131.1 -11.6 46.1 18.1 19 19 A Y E -AB 9 32A 43 13,-3.2 13,-3.4 -2,-0.5 2,-0.6 -0.935 28.7-124.3-123.2 146.0 -15.2 46.4 17.1 20 20 A K E +AB 8 31A 45 -12,-2.9 -13,-3.3 -2,-0.4 -12,-1.0 -0.772 48.9 178.3 -82.0 126.3 -17.0 48.5 14.4 21 21 A A E -AB 6 30A 0 9,-3.0 9,-3.6 -2,-0.6 2,-0.5 -0.966 31.5-136.4-137.5 154.3 -19.5 50.3 16.5 22 22 A R E -AB 5 29A 103 -17,-1.6 -17,-2.2 -2,-0.3 2,-1.2 -0.930 25.8-125.8-110.3 126.2 -22.3 52.9 16.2 23 23 A N E > -A 4 0A 19 5,-3.1 4,-3.7 -2,-0.5 5,-0.3 -0.591 20.2-150.5 -70.3 99.4 -22.5 55.6 18.8 24 24 A K T 4 S+ 0 0 125 -21,-1.8 -1,-0.2 -2,-1.2 -20,-0.1 0.707 91.5 44.3 -45.4 -24.9 -26.2 55.1 19.7 25 25 A L T 4 S+ 0 0 154 -22,-0.5 -1,-0.2 3,-0.1 -21,-0.0 0.953 125.8 23.1 -84.4 -73.1 -26.4 58.8 20.5 26 26 A T T 4 S- 0 0 85 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.713 93.9-133.5 -68.9 -23.0 -24.6 60.7 17.7 27 27 A G < + 0 0 33 -4,-3.7 -3,-0.1 1,-0.3 2,-0.1 0.469 55.5 144.8 81.9 -0.2 -25.1 57.8 15.2 28 28 A E - 0 0 84 -5,-0.3 -5,-3.1 -6,-0.1 2,-0.5 -0.423 50.8-124.5 -72.7 146.8 -21.5 58.1 14.1 29 29 A V E +B 22 0A 53 -7,-0.2 47,-0.6 -3,-0.1 2,-0.2 -0.810 41.4 166.4 -93.8 131.2 -19.7 54.9 13.2 30 30 A V E -BC 21 75A 2 -9,-3.6 -9,-3.0 -2,-0.5 2,-0.7 -0.817 42.1-105.2-137.6 175.6 -16.5 54.4 15.1 31 31 A A E -BC 20 74A 13 43,-2.7 43,-2.9 -2,-0.2 2,-0.6 -0.938 34.9-158.7-107.2 112.6 -13.8 51.8 16.0 32 32 A L E -BC 19 73A 0 -13,-3.4 -13,-3.2 -2,-0.7 2,-0.6 -0.838 4.6-165.2 -97.7 120.3 -14.3 50.6 19.6 33 33 A K E -BC 18 72A 1 39,-3.1 39,-2.5 -2,-0.6 2,-0.8 -0.911 6.6-156.5-110.1 115.1 -11.3 49.1 21.3 34 34 A K E -BC 17 71A 47 -17,-2.7 -17,-1.0 -2,-0.6 2,-0.5 -0.812 19.9-136.0 -89.6 113.4 -11.8 47.1 24.5 35 35 A I E B 16 0A 33 35,-2.3 35,-0.4 -2,-0.8 -19,-0.3 -0.583 360.0 360.0 -73.9 121.8 -8.6 47.1 26.4 36 36 A R 0 0 126 -21,-2.7 -1,-0.2 -2,-0.5 -20,-0.1 0.998 360.0 360.0 -72.2 360.0 -7.8 43.7 27.7 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 74 0, 0.0 30,-0.0 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 116.4 -6.3 50.3 35.1 39 45 A P > - 0 0 86 0, 0.0 4,-1.7 0, 0.0 0, 0.0 -0.182 360.0-131.2 -57.1 147.5 -3.0 52.0 36.1 40 46 A S H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.809 106.5 61.0 -70.1 -30.2 -3.0 55.8 36.5 41 47 A T H > S+ 0 0 96 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.939 104.7 46.8 -61.8 -48.3 0.1 56.0 34.3 42 48 A A H > S+ 0 0 2 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.932 110.0 54.6 -58.9 -47.2 -1.7 54.5 31.4 43 49 A I H X S+ 0 0 37 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.911 112.6 41.8 -52.5 -49.5 -4.7 56.8 31.9 44 50 A R H X S+ 0 0 155 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.924 116.4 48.8 -66.3 -45.4 -2.5 59.9 31.8 45 51 A E H X S+ 0 0 83 -4,-2.8 4,-1.0 1,-0.2 3,-0.2 0.922 112.9 46.8 -60.4 -47.1 -0.4 58.6 28.9 46 52 A I H >X S+ 0 0 0 -4,-3.6 4,-0.8 1,-0.2 3,-0.5 0.897 107.6 59.6 -62.3 -39.7 -3.5 57.7 26.9 47 53 A S H >< S+ 0 0 45 -4,-2.1 3,-0.7 -5,-0.3 -1,-0.2 0.861 101.1 52.3 -57.6 -40.8 -5.0 61.1 27.7 48 54 A L H >< S+ 0 0 112 -4,-1.6 3,-1.4 1,-0.2 4,-0.4 0.813 100.6 65.7 -66.3 -29.7 -2.2 63.0 26.0 49 55 A L H X< S+ 0 0 13 -4,-1.0 3,-1.1 -3,-0.5 11,-0.3 0.786 89.5 61.8 -64.6 -31.1 -2.7 60.9 22.9 50 56 A K T << S+ 0 0 72 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.529 96.8 62.3 -75.9 -0.3 -6.1 62.3 22.1 51 57 A E T < S+ 0 0 140 -3,-1.4 2,-0.7 -4,-0.2 -1,-0.2 0.657 81.3 95.4 -92.4 -19.9 -4.5 65.7 21.8 52 58 A L < + 0 0 15 -3,-1.1 2,-0.5 -4,-0.4 8,-0.3 -0.623 54.0 175.1 -76.3 110.6 -2.3 64.5 18.9 53 59 A N + 0 0 92 -2,-0.7 5,-0.1 6,-0.1 -3,-0.0 -0.968 11.7 141.9-125.1 123.2 -4.1 65.5 15.7 54 60 A H > - 0 0 39 -2,-0.5 3,-1.8 3,-0.3 5,-0.1 -0.977 54.9-118.0-153.8 144.5 -2.7 64.9 12.2 55 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.712 114.0 49.7 -59.5 -19.5 -4.4 63.9 8.9 56 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.2 48,-0.1 2,-0.4 0.140 96.6 80.9-108.2 21.7 -2.2 60.8 8.7 57 63 A I B < S-e 137 0B 2 -3,-1.8 2,-0.5 79,-0.3 -3,-0.3 -0.990 86.8-113.9-127.0 130.4 -2.9 59.5 12.2 58 64 A V - 0 0 4 79,-2.9 81,-0.2 -2,-0.4 82,-0.2 -0.526 43.4-119.8 -66.0 115.7 -6.0 57.6 13.2 59 65 A K - 0 0 50 -2,-0.5 16,-2.1 1,-0.1 2,-1.0 -0.341 10.3-139.4 -64.2 128.9 -7.8 60.0 15.6 60 66 A L E -D 74 0A 2 -8,-0.3 14,-0.3 -11,-0.3 -1,-0.1 -0.800 25.1-179.0 -88.0 102.4 -8.4 58.9 19.2 61 67 A L E - 0 0 56 12,-1.8 2,-0.3 -2,-1.0 13,-0.2 0.942 55.7 -5.2 -70.2 -53.3 -11.9 60.3 19.7 62 68 A D E -D 73 0A 85 11,-1.5 11,-2.9 2,-0.0 2,-0.5 -0.953 49.7-143.9-144.3 163.2 -12.7 59.3 23.3 63 69 A V E -D 72 0A 32 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.986 17.9-160.5-129.9 115.0 -11.4 57.4 26.2 64 70 A I E +D 71 0A 32 7,-3.6 7,-2.7 -2,-0.5 2,-0.6 -0.880 14.0 173.7-105.4 110.3 -14.0 55.6 28.3 65 71 A H E +D 70 0A 87 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.847 25.5 137.5-115.9 90.7 -12.9 54.7 31.8 66 72 A T E > +D 69 0A 74 3,-1.1 3,-3.5 -2,-0.6 -2,-0.0 -0.943 61.5 9.4-134.9 156.7 -15.9 53.3 33.6 67 73 A E T 3 S- 0 0 154 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.831 127.8 -64.0 42.1 41.0 -16.6 50.4 36.0 68 74 A N T 3 S+ 0 0 141 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.629 113.8 116.6 61.7 15.9 -12.8 49.9 36.1 69 75 A K E < - D 0 66A 104 -3,-3.5 -3,-1.1 -31,-0.0 2,-0.4 -0.781 56.4-140.2-111.7 157.8 -12.8 49.1 32.4 70 76 A L E + D 0 65A 5 -35,-0.4 -35,-2.3 -2,-0.3 2,-0.4 -0.975 18.1 177.9-125.4 125.3 -11.1 51.0 29.6 71 77 A Y E -CD 34 64A 18 -7,-2.7 -7,-3.6 -2,-0.4 2,-0.5 -0.989 12.7-156.7-126.1 131.0 -12.5 51.6 26.1 72 78 A L E -CD 33 63A 0 -39,-2.5 -39,-3.1 -2,-0.4 2,-0.6 -0.920 6.7-154.5-108.4 129.9 -10.8 53.6 23.4 73 79 A V E +CD 32 62A 2 -11,-2.9 -12,-1.8 -2,-0.5 -11,-1.5 -0.921 18.8 179.8-108.1 114.9 -12.9 55.1 20.7 74 80 A F E -CD 31 60A 14 -43,-2.9 -43,-2.7 -2,-0.6 -14,-0.2 -0.722 36.0 -94.4-110.6 161.5 -11.1 55.7 17.4 75 81 A E E -C 30 0A 46 -16,-2.1 2,-0.4 -2,-0.2 -45,-0.2 -0.426 49.0-117.7 -69.4 151.8 -12.2 57.2 14.0 76 82 A F + 0 0 42 -47,-0.6 2,-0.4 -2,-0.1 -47,-0.1 -0.809 31.0 179.1-103.5 133.4 -13.2 54.4 11.6 77 83 A L - 0 0 16 -2,-0.4 53,-0.1 1,-0.1 52,-0.0 -0.970 27.0-133.6-126.6 143.2 -11.7 53.5 8.3 78 84 A H S S+ 0 0 109 -2,-0.4 2,-0.3 51,-0.1 52,-0.1 0.728 77.3 27.4 -71.8 -26.2 -12.9 50.7 6.0 79 85 A Q E -F 129 0B 9 50,-1.2 50,-2.7 204,-0.1 2,-0.3 -0.978 59.0-144.9-142.5 152.1 -9.7 48.9 5.0 80 86 A D E > -F 128 0B 45 -2,-0.3 4,-1.8 48,-0.3 48,-0.3 -0.708 34.4-109.8-107.7 163.5 -6.2 48.1 6.2 81 87 A L H > S+ 0 0 0 46,-3.0 4,-2.7 43,-0.9 5,-0.2 0.842 113.1 61.9 -62.5 -34.9 -3.1 47.8 4.0 82 88 A K H > S+ 0 0 75 42,-0.7 4,-2.0 45,-0.2 -1,-0.2 0.951 108.0 42.5 -57.0 -50.7 -2.7 44.1 4.6 83 89 A K H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 113.4 52.7 -63.5 -39.6 -6.1 43.4 3.0 84 90 A F H X S+ 0 0 12 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.892 109.2 49.6 -63.4 -39.4 -5.5 45.8 0.2 85 91 A M H < S+ 0 0 24 -4,-2.7 3,-0.3 2,-0.2 -1,-0.2 0.885 109.7 51.0 -66.3 -39.1 -2.2 44.1 -0.6 86 92 A D H >< S+ 0 0 97 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.890 109.9 50.5 -64.2 -39.2 -3.9 40.7 -0.6 87 93 A A H 3< S+ 0 0 56 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.708 113.8 44.8 -71.5 -21.0 -6.5 42.1 -3.0 88 94 A S T 3X S+ 0 0 17 -4,-1.0 4,-3.6 -3,-0.3 3,-0.4 0.222 77.9 117.7-105.7 11.3 -3.7 43.5 -5.3 89 95 A A T <4 S+ 0 0 53 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.803 74.4 48.6 -47.7 -38.8 -1.6 40.3 -5.1 90 96 A L T 4 S+ 0 0 164 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.872 128.1 18.3 -75.0 -40.5 -1.9 39.6 -8.8 91 97 A T T 4 S- 0 0 119 -3,-0.4 -2,-0.2 1,-0.1 -1,-0.1 0.583 100.4-136.9-106.8 -14.6 -0.9 43.0 -10.2 92 98 A G < - 0 0 7 -4,-3.6 -1,-0.1 -7,-0.2 90,-0.1 0.015 39.0 -56.8 76.3 166.5 0.8 44.5 -7.2 93 99 A I - 0 0 15 88,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.682 63.0-105.9 -83.5 131.3 0.3 48.1 -6.0 94 100 A P >> - 0 0 79 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.276 26.0-122.3 -56.0 139.3 1.1 50.7 -8.7 95 101 A L H 3> S+ 0 0 71 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.885 110.8 57.6 -51.2 -44.6 4.4 52.5 -7.9 96 102 A P H 3> S+ 0 0 69 0, 0.0 4,-1.8 0, 0.0 179,-0.4 0.851 109.6 45.4 -57.0 -34.1 2.7 55.9 -7.8 97 103 A L H <> S+ 0 0 7 -3,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.867 111.0 52.3 -76.5 -37.4 0.4 54.7 -5.1 98 104 A I H X S+ 0 0 5 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.948 111.8 47.1 -61.1 -47.8 3.2 53.1 -3.2 99 105 A K H X S+ 0 0 15 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.898 112.0 49.9 -61.2 -42.6 5.1 56.3 -3.3 100 106 A S H X S+ 0 0 4 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.925 112.8 46.6 -62.6 -45.6 2.1 58.3 -2.2 101 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.926 112.7 48.5 -63.7 -45.7 1.4 56.0 0.8 102 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.919 110.9 52.4 -61.0 -42.0 5.1 56.0 1.9 103 109 A F H X S+ 0 0 53 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.941 112.0 44.1 -59.7 -49.2 5.1 59.8 1.7 104 110 A Q H X S+ 0 0 14 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.898 111.8 52.9 -64.3 -41.8 2.0 60.2 3.9 105 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.903 108.1 51.2 -61.5 -40.6 3.2 57.6 6.4 106 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.846 108.0 52.5 -65.2 -33.8 6.5 59.4 6.8 107 113 A Q H X S+ 0 0 66 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.933 109.5 49.9 -66.6 -43.1 4.6 62.6 7.4 108 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.916 113.3 44.9 -59.6 -45.7 2.6 60.9 10.1 109 115 A L H X S+ 0 0 3 -4,-2.4 4,-3.8 2,-0.2 5,-0.3 0.901 109.1 55.2 -66.0 -43.3 5.8 59.5 11.8 110 116 A A H X S+ 0 0 14 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.912 110.2 48.3 -56.8 -42.2 7.6 62.9 11.5 111 117 A F H X S+ 0 0 44 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.956 115.8 41.9 -63.3 -51.2 4.7 64.4 13.4 112 118 A C H ><>S+ 0 0 7 -4,-2.3 5,-2.6 1,-0.2 3,-1.0 0.925 113.8 52.5 -62.4 -45.3 4.6 61.8 16.1 113 119 A H H ><5S+ 0 0 27 -4,-3.8 3,-1.5 1,-0.3 -1,-0.2 0.838 103.5 57.1 -60.7 -34.5 8.4 61.7 16.4 114 120 A S H 3<5S+ 0 0 76 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.739 107.9 48.3 -70.0 -20.4 8.5 65.4 16.9 115 121 A H T <<5S- 0 0 79 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.261 120.2-113.7 -98.9 10.8 6.2 65.0 19.9 116 122 A R T < 5S+ 0 0 207 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.797 71.4 139.7 62.3 31.4 8.4 62.2 21.1 117 123 A V < - 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