==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 19-OCT-12 4HNI . COMPND 2 MOLECULE: CASEIN KINASE I ISOFORM EPSILON; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.HUANG,A.M.LONG,H.ZHAO . 568 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 26 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 1 3 0 0 2 0 0 1 1 2 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 7 3 0 1 3 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 . 2 3 0 0 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 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 3 A L 0 0 173 0, 0.0 8,-0.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 133.1 -8.7 -19.6 -25.8 2 4 A R E -A 8 0A 163 6,-0.2 2,-0.4 3,-0.1 6,-0.3 -0.331 360.0-178.2 -54.3 117.8 -8.3 -16.6 -23.5 3 5 A V E > +A 7 0A 7 4,-4.7 4,-2.4 1,-0.2 3,-0.3 -0.960 56.7 16.7-128.7 146.0 -9.5 -13.6 -25.5 4 6 A G T 4 S- 0 0 9 -2,-0.4 2,-3.5 1,-0.3 -1,-0.2 0.875 116.1 -86.2 66.0 34.2 -9.8 -9.9 -24.8 5 7 A N T 4 S+ 0 0 113 -3,-0.2 -1,-0.3 1,-0.2 -3,-0.1 -0.005 129.0 44.3 59.2 -36.0 -7.3 -10.6 -22.0 6 8 A K T 4 S+ 0 0 93 -2,-3.5 21,-1.4 -3,-0.3 22,-0.5 0.330 91.9 85.4-120.2 7.7 -10.2 -11.5 -19.6 7 9 A Y E < -AB 3 26A 15 -4,-2.4 -4,-4.7 19,-0.2 2,-0.4 -0.949 58.4-152.2-119.7 122.0 -12.7 -13.7 -21.6 8 10 A R E -AB 2 25A 152 17,-2.0 17,-2.1 -2,-0.5 -6,-0.2 -0.720 21.1-132.5 -86.7 130.4 -12.2 -17.5 -21.9 9 11 A L + 0 0 25 -8,-0.6 2,-0.3 -2,-0.4 15,-0.1 -0.105 32.9 172.3 -71.8 179.8 -13.7 -18.9 -25.1 10 12 A G - 0 0 30 13,-0.2 14,-0.1 1,-0.1 -1,-0.1 -0.935 35.5 -18.2-167.2-169.3 -16.0 -21.9 -25.0 11 13 A R - 0 0 223 -2,-0.3 12,-2.6 11,-0.2 2,-0.5 -0.073 66.3-116.4 -43.2 138.8 -18.4 -24.3 -26.8 12 14 A K E -C 22 0B 125 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.757 30.8-177.7 -90.4 132.3 -19.8 -22.9 -30.0 13 15 A I E + 0 0 106 8,-2.8 2,-0.3 -2,-0.5 9,-0.2 0.615 60.3 11.2 -97.7 -26.1 -23.5 -22.5 -29.9 14 16 A G E -C 21 0B 24 7,-1.7 7,-3.1 2,-0.0 -1,-0.3 -0.987 51.2-153.8-161.8 150.1 -24.3 -21.2 -33.4 15 17 A S + 0 0 75 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.694 27.1 151.2-113.1 169.2 -23.0 -20.6 -36.9 16 18 A G > - 0 0 28 -2,-0.2 3,-3.0 3,-0.2 -2,-0.0 -0.852 62.6 -89.6 169.0 155.2 -24.2 -18.0 -39.4 17 19 A S T 3 S+ 0 0 141 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.722 127.2 58.0 -46.1 -22.1 -23.4 -15.8 -42.4 18 20 A F T 3 S- 0 0 62 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.673 121.3 -97.3 -82.4 -26.6 -22.6 -13.4 -39.5 19 21 A G < - 0 0 12 -3,-3.0 2,-0.4 19,-0.1 -1,-0.3 -0.934 54.0 -48.4 136.5-158.0 -19.9 -15.6 -37.9 20 22 A D E - D 0 37B 40 17,-1.5 17,-2.2 -2,-0.3 2,-0.5 -0.929 38.0-141.6-122.3 141.1 -20.0 -18.0 -35.0 21 23 A I E -CD 14 36B 31 -7,-3.1 -8,-2.8 -2,-0.4 -7,-1.7 -0.857 20.7-174.9-101.0 125.5 -21.4 -17.6 -31.5 22 24 A Y E -CD 12 35B 55 13,-3.7 13,-3.2 -2,-0.5 -10,-0.2 -0.883 25.3-127.1-117.9 148.6 -19.5 -19.2 -28.6 23 25 A L E + D 0 34B 48 -12,-2.6 2,-0.3 -2,-0.3 11,-0.2 -0.598 46.8 155.4 -84.2 154.9 -20.5 -19.4 -25.0 24 26 A G E - D 0 33B 5 9,-2.0 9,-2.6 -2,-0.2 2,-0.3 -0.936 26.7-132.2-165.0-175.1 -17.6 -18.0 -22.9 25 27 A A E -B 8 0A 33 -17,-2.1 -17,-2.0 -2,-0.3 2,-0.8 -0.945 21.5-106.5-151.0 171.6 -16.8 -16.4 -19.6 26 28 A N E > -B 7 0A 11 5,-0.4 4,-3.0 -2,-0.3 -19,-0.2 -0.861 20.9-157.6-105.8 98.9 -15.0 -13.6 -17.7 27 29 A I T 4 S+ 0 0 105 -21,-1.4 -1,-0.2 -2,-0.8 -20,-0.1 0.828 92.7 48.4 -40.5 -43.0 -11.9 -15.1 -15.9 28 30 A A T 4 S+ 0 0 76 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.994 131.5 9.4 -62.5 -78.5 -12.1 -12.1 -13.5 29 31 A S T 4 S- 0 0 84 2,-0.1 -2,-0.2 -4,-0.0 -1,-0.1 0.790 93.5-127.6 -75.5 -34.4 -15.8 -11.9 -12.4 30 32 A G < + 0 0 56 -4,-3.0 2,-0.5 1,-0.2 -3,-0.1 0.967 45.8 160.0 80.2 62.5 -17.1 -15.2 -13.9 31 33 A E - 0 0 93 -5,-0.0 -5,-0.4 44,-0.0 -1,-0.2 -0.985 43.3-120.8-119.5 122.9 -20.1 -14.1 -15.9 32 34 A E + 0 0 110 -2,-0.5 44,-0.8 -7,-0.2 2,-0.3 -0.345 44.8 175.2 -56.9 139.4 -21.4 -16.4 -18.6 33 35 A V E -DE 24 75B 1 -9,-2.6 -9,-2.0 42,-0.2 2,-0.4 -0.962 31.1-119.3-147.2 163.0 -21.2 -14.4 -21.9 34 36 A A E -DE 23 74B 17 40,-2.7 40,-2.1 -2,-0.3 2,-0.4 -0.858 27.3-166.9-105.3 140.9 -21.8 -14.9 -25.6 35 37 A I E -DE 22 73B 1 -13,-3.2 -13,-3.7 -2,-0.4 2,-0.5 -0.993 7.7-156.6-133.4 134.8 -18.9 -14.3 -28.1 36 38 A K E -D 21 0B 16 36,-2.3 2,-0.5 -2,-0.4 36,-0.5 -0.925 6.9-156.2-113.2 125.6 -19.0 -13.9 -31.9 37 39 A L E -D 20 0B 22 -17,-2.2 -17,-1.5 -2,-0.5 2,-0.4 -0.867 11.9-175.5-103.3 129.9 -15.9 -14.7 -34.0 38 40 A E E -F 70 0B 59 32,-2.1 32,-3.2 -2,-0.5 -19,-0.1 -0.983 32.9-102.3-129.4 130.6 -15.6 -13.0 -37.4 39 41 A C E F 69 0B 99 -2,-0.4 30,-0.2 30,-0.2 29,-0.1 -0.239 360.0 360.0 -51.3 117.1 -12.9 -13.6 -40.1 40 42 A V 0 0 122 28,-3.0 -1,-0.2 -2,-0.1 29,-0.1 0.843 360.0 360.0 -60.7 360.0 -10.3 -10.8 -40.2 41 ! 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 42 50 A H > 0 0 154 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -32.3 -17.6 -3.5 -36.8 43 51 A I H > + 0 0 127 2,-0.2 4,-1.0 1,-0.2 100,-0.1 0.817 360.0 51.0 -72.0 -28.5 -20.8 -2.2 -38.6 44 52 A E H > S+ 0 0 4 98,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.850 102.5 61.1 -72.6 -36.8 -22.7 -4.2 -35.8 45 53 A S H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.937 99.9 53.1 -58.1 -46.8 -20.6 -2.4 -33.3 46 54 A K H < S+ 0 0 94 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.865 109.7 49.7 -58.5 -35.1 -21.9 1.0 -34.4 47 55 A F H >< S+ 0 0 0 -4,-1.0 3,-0.6 2,-0.2 4,-0.4 0.938 112.9 45.1 -68.4 -47.0 -25.4 -0.2 -33.9 48 56 A Y H >X S+ 0 0 8 -4,-2.4 3,-1.3 1,-0.2 4,-0.9 0.930 110.9 50.1 -65.3 -45.6 -24.9 -1.6 -30.4 49 57 A K T 3< S+ 0 0 131 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.592 115.2 46.5 -71.6 -6.6 -22.9 1.3 -28.9 50 58 A M T <4 S+ 0 0 50 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.420 112.6 47.2-112.3 0.5 -25.6 3.6 -30.2 51 59 A M T X4 S+ 0 0 0 -3,-1.3 3,-2.0 -4,-0.4 -2,-0.2 0.362 85.7 135.8-113.1 -4.9 -28.5 1.5 -28.9 52 60 A Q T 3< + 0 0 83 -4,-0.9 3,-0.1 1,-0.3 7,-0.1 -0.146 64.7 22.0 -49.5 132.4 -26.8 1.2 -25.6 53 61 A G T 3 S+ 0 0 14 1,-0.3 -1,-0.3 4,-0.3 288,-0.2 0.109 90.3 132.0 96.8 -21.7 -29.0 1.6 -22.6 54 62 A G X - 0 0 6 -3,-2.0 3,-1.8 286,-0.1 -1,-0.3 -0.264 68.7 -97.5 -66.9 150.1 -32.2 0.8 -24.4 55 63 A V T 3 S+ 0 0 71 1,-0.3 -1,-0.1 284,-0.1 55,-0.1 -0.515 111.3 11.0 -66.3 126.3 -34.7 -1.6 -23.0 56 64 A G T 3 S+ 0 0 3 -2,-0.3 83,-2.3 1,-0.2 -1,-0.3 0.632 95.7 124.6 80.0 12.8 -34.2 -5.0 -24.6 57 65 A I < - 0 0 10 -3,-1.8 -4,-0.3 81,-0.2 -1,-0.2 -0.934 61.6-126.7-106.9 115.9 -30.9 -4.0 -26.2 58 66 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -7,-0.1 -0.241 21.9-114.4 -61.6 148.3 -28.1 -6.4 -25.2 59 67 A S - 0 0 58 -7,-0.1 16,-1.8 -6,-0.1 2,-0.5 -0.687 17.5-142.6 -85.7 131.2 -24.9 -5.0 -23.6 60 68 A I E -G 74 0B 50 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.814 16.0-174.4 -90.4 130.5 -21.7 -5.3 -25.6 61 69 A K E + 0 0 80 12,-4.8 2,-0.3 -2,-0.5 13,-0.2 0.617 63.9 3.9-101.1 -13.1 -18.9 -6.0 -23.1 62 70 A W E -G 73 0B 75 11,-1.1 11,-1.9 2,-0.0 2,-0.3 -0.825 56.8-167.3-174.4 131.7 -15.9 -5.9 -25.4 63 71 A C E +G 72 0B 60 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.917 36.6 74.1-123.9 148.5 -15.0 -5.2 -29.1 64 72 A G E S-G 71 0B 29 7,-1.5 7,-4.1 -2,-0.3 2,-0.4 -0.915 70.3 -55.2 149.0-176.8 -11.9 -5.9 -31.1 65 73 A A E -G 70 0B 63 -2,-0.3 2,-0.5 5,-0.3 5,-0.2 -0.827 28.1-167.9-102.5 139.7 -9.6 -8.2 -33.0 66 74 A E E > -G 69 0B 64 3,-2.5 3,-1.4 -2,-0.4 -2,-0.0 -0.884 67.7 -64.1-124.7 89.4 -8.0 -11.2 -31.2 67 75 A G T 3 S- 0 0 62 -2,-0.5 -1,-0.3 1,-0.2 0, 0.0 -0.316 121.4 -1.4 62.3-144.8 -5.4 -12.2 -33.8 68 76 A D T 3 S+ 0 0 119 -3,-0.1 -28,-3.0 -29,-0.1 2,-0.3 0.474 125.0 71.7 -55.3 -6.1 -7.0 -13.3 -37.1 69 77 A Y E < S-FG 39 66B 105 -3,-1.4 -3,-2.5 -30,-0.2 2,-0.5 -0.814 73.7-128.7-120.7 159.9 -10.5 -12.8 -35.8 70 78 A N E -FG 38 65B 39 -32,-3.2 -32,-2.1 -2,-0.3 2,-0.3 -0.891 32.6-157.5-101.5 126.0 -13.0 -10.1 -34.9 71 79 A V E + G 0 64B 2 -7,-4.1 -7,-1.5 -2,-0.5 2,-0.3 -0.718 18.5 178.7-107.9 157.6 -14.5 -10.5 -31.5 72 80 A M E - G 0 63B 17 -36,-0.5 -36,-2.3 -2,-0.3 2,-0.5 -0.907 8.6-165.9-155.5 120.6 -17.7 -9.2 -29.9 73 81 A V E +EG 35 62B 0 -11,-1.9 -12,-4.8 -2,-0.3 -11,-1.1 -0.959 14.1 169.1-117.5 121.3 -18.7 -10.1 -26.4 74 82 A M E -EG 34 60B 34 -40,-2.1 -40,-2.7 -2,-0.5 -14,-0.2 -0.867 43.0 -80.3-125.7 162.3 -22.2 -9.4 -25.2 75 83 A E E -E 33 0B 42 -16,-1.8 2,-0.2 -2,-0.3 -42,-0.2 -0.187 54.9-101.6 -56.0 150.5 -24.2 -10.4 -22.1 76 84 A L - 0 0 44 -44,-0.8 2,-0.2 -3,-0.0 54,-0.2 -0.542 44.0-171.0 -77.1 141.1 -25.7 -13.9 -22.2 77 85 A L - 0 0 22 -2,-0.2 52,-0.2 1,-0.2 3,-0.1 -0.602 17.4-106.9-121.2-176.3 -29.4 -14.0 -23.0 78 86 A G - 0 0 19 50,-3.1 -1,-0.2 1,-0.3 52,-0.1 0.114 57.0 -38.9 -95.7-150.6 -32.1 -16.7 -23.0 79 87 A P - 0 0 61 0, 0.0 49,-3.0 0, 0.0 -1,-0.3 -0.246 59.2-114.1 -70.4 163.0 -33.9 -18.7 -25.7 80 88 A S B >> -H 127 0C 11 47,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.584 26.5-110.9 -93.3 162.8 -35.1 -17.2 -29.0 81 89 A L H 3> S+ 0 0 0 45,-2.3 4,-1.8 42,-1.0 43,-0.2 0.790 120.3 57.8 -63.9 -26.3 -38.8 -16.8 -29.7 82 90 A E H 3> S+ 0 0 20 41,-0.6 4,-1.4 44,-0.3 -1,-0.3 0.848 106.2 48.5 -72.5 -31.4 -38.4 -19.4 -32.4 83 91 A D H <> S+ 0 0 88 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.947 113.5 46.3 -70.0 -46.5 -37.1 -21.9 -29.8 84 92 A L H X S+ 0 0 15 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.796 106.1 60.3 -63.1 -32.6 -40.0 -21.1 -27.5 85 93 A F H <>S+ 0 0 0 -4,-1.8 5,-3.0 -5,-0.2 6,-0.5 0.912 109.1 43.1 -62.8 -41.2 -42.3 -21.4 -30.5 86 94 A N H ><5S+ 0 0 80 -4,-1.4 3,-1.6 1,-0.2 -2,-0.2 0.870 107.0 59.6 -71.2 -36.9 -41.1 -25.0 -30.8 87 95 A F H 3<5S+ 0 0 156 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 108.1 48.5 -60.0 -27.6 -41.3 -25.5 -27.1 88 96 A C T ><5S- 0 0 21 -4,-1.3 3,-1.3 -3,-0.2 -1,-0.3 -0.164 125.1 -99.0-106.8 36.4 -45.0 -24.7 -27.5 89 97 A S T < 5 - 0 0 103 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.803 68.8 -74.2 53.0 32.3 -45.8 -27.0 -30.4 90 98 A R T 3 - 0 0 45 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.245 28.7-112.2 -65.0 159.9 -52.1 -18.3 -27.7 94 102 A L H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.896 117.4 56.1 -61.1 -37.8 -53.5 -15.0 -28.9 95 103 A K H > S+ 0 0 33 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.904 107.2 46.1 -61.4 -44.6 -52.5 -13.5 -25.5 96 104 A T H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.910 112.1 52.7 -66.4 -38.2 -48.9 -14.4 -25.8 97 105 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.932 112.8 43.9 -61.9 -43.7 -48.9 -13.1 -29.4 98 106 A L H X S+ 0 0 7 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.875 112.4 52.7 -69.7 -36.2 -50.4 -9.8 -28.2 99 107 A L H X S+ 0 0 15 -4,-2.8 4,-1.3 1,-0.2 3,-0.3 0.953 114.4 42.0 -61.8 -49.6 -48.0 -9.7 -25.2 100 108 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.861 107.5 62.3 -64.1 -39.1 -45.0 -10.1 -27.6 101 109 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.870 102.3 50.4 -57.7 -37.8 -46.5 -7.8 -30.2 102 110 A D H X S+ 0 0 40 -4,-1.5 4,-1.4 -3,-0.3 -1,-0.2 0.921 114.6 42.4 -67.7 -43.6 -46.3 -4.8 -27.7 103 111 A Q H X S+ 0 0 22 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.922 113.9 50.8 -67.4 -46.6 -42.7 -5.4 -26.8 104 112 A M H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.849 108.5 51.6 -63.2 -36.6 -41.5 -6.2 -30.3 105 113 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.920 110.3 51.2 -66.2 -39.5 -43.1 -3.0 -31.7 106 114 A S H X S+ 0 0 34 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.850 107.5 50.4 -65.7 -38.8 -41.3 -1.0 -28.9 107 115 A R H X S+ 0 0 16 -4,-2.0 4,-2.4 2,-0.2 3,-0.3 0.974 111.6 49.1 -62.4 -52.7 -37.9 -2.5 -29.6 108 116 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.3 -2,-0.2 0.890 110.5 50.1 -53.8 -44.0 -38.2 -1.6 -33.3 109 117 A E H X S+ 0 0 61 -4,-2.2 4,-2.8 1,-0.2 -1,-0.3 0.857 108.6 54.1 -64.6 -32.6 -39.4 1.9 -32.5 110 118 A Y H < S+ 0 0 16 -4,-1.8 4,-0.5 -3,-0.3 -2,-0.2 0.940 108.9 46.7 -65.5 -46.1 -36.4 2.2 -30.2 111 119 A I H ><>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-1.0 0.914 113.8 50.3 -60.9 -42.0 -34.0 1.3 -32.9 112 120 A H H ><5S+ 0 0 2 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.903 101.6 58.9 -65.5 -41.4 -35.8 3.7 -35.2 113 121 A S T 3<5S+ 0 0 38 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.642 106.2 54.5 -64.4 -8.8 -35.6 6.6 -32.8 114 122 A K T < 5S- 0 0 53 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 -0.130 123.6 -99.8-120.2 41.2 -31.9 6.1 -33.0 115 123 A N T < 5S+ 0 0 18 -3,-1.5 33,-1.4 1,-0.2 34,-0.7 0.617 85.7 112.6 55.2 26.5 -31.5 6.3 -36.8 116 124 A F E < -J 147 0D 5 -5,-1.9 2,-0.4 31,-0.3 -2,-0.2 -0.909 48.8-158.3-127.0 151.6 -31.3 2.5 -37.5 117 125 A I E -J 146 0D 0 29,-1.7 29,-1.8 -2,-0.3 67,-0.1 -0.985 16.1-144.0-124.1 137.2 -33.5 -0.1 -39.2 118 126 A H - 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