==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-MAR-13 4JJR . COMPND 2 MOLECULE: CASEIN KINASE I ISOFORM DELTA; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR N.A.ZERINGO,J.J.BELLIZZI . 567 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 64.6 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 . 96 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 21 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 2 0 0 1 4 1 0 2 0 0 2 0 0 2 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 . 5 5 2 1 0 3 4 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 2 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 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 64 0, 0.0 8,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 114.6 1.1 43.4 7.0 2 4 A R E -A 8 0A 137 6,-0.2 2,-0.5 3,-0.0 3,-0.4 -0.964 360.0-150.0-124.4 132.5 0.9 42.5 3.3 3 5 A V E >> S-A 7 0A 10 4,-3.4 4,-2.4 -2,-0.4 3,-1.4 -0.854 91.7 -4.9 -93.3 131.9 0.5 39.2 1.4 4 6 A G T 34 S- 0 0 23 -2,-0.5 -1,-0.2 1,-0.3 4,-0.1 0.786 114.8 -83.9 53.5 32.6 2.2 39.2 -2.0 5 7 A N T 34 S+ 0 0 128 -3,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.509 128.2 60.4 54.2 7.6 3.1 42.9 -1.5 6 8 A R T <4 S+ 0 0 110 -3,-1.4 21,-1.9 1,-0.2 2,-0.7 0.595 86.8 69.0-131.8 -28.4 -0.4 44.0 -2.8 7 9 A Y E < -AB 3 26A 8 -4,-2.4 -4,-3.4 19,-0.2 19,-0.2 -0.864 68.0-143.9-109.7 109.9 -3.0 42.5 -0.5 8 10 A R E -AB 2 25A 95 17,-2.5 17,-2.1 -2,-0.7 2,-0.2 -0.523 25.7-126.9 -68.9 133.0 -3.3 43.7 3.1 9 11 A L E + B 0 24A 19 -8,-1.7 15,-0.2 -2,-0.2 2,-0.1 -0.569 34.3 171.2 -89.6 143.4 -4.2 40.9 5.4 10 12 A G E - 0 0 13 13,-2.2 361,-0.1 -2,-0.2 363,-0.1 -0.309 34.8 -32.2-129.8-148.5 -7.2 41.0 7.8 11 13 A R E - 0 0 38 359,-0.3 12,-2.9 361,-0.2 2,-0.2 -0.345 64.0 -96.9 -80.1 154.7 -9.4 39.0 10.2 12 14 A K E + B 0 22A 68 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.523 42.9 173.7 -67.2 133.1 -10.1 35.3 9.9 13 15 A I E - 0 0 1 8,-2.6 2,-0.3 -2,-0.2 9,-0.2 0.484 51.4 -47.0-122.5 -9.4 -13.5 34.9 8.2 14 16 A G E - B 0 21A 20 7,-1.5 7,-2.1 289,-0.1 2,-0.3 -0.984 49.3 -93.6 174.6-161.9 -13.9 31.2 7.6 15 17 A S E - B 0 20A 81 -2,-0.3 5,-0.2 5,-0.2 2,-0.0 -0.980 16.9-163.5-145.3 153.0 -12.6 27.8 6.5 16 18 A G - 0 0 24 3,-1.2 5,-0.1 -2,-0.3 -1,-0.1 0.240 62.8 -58.5-102.6-125.8 -12.7 25.9 3.3 17 19 A S S S- 0 0 45 1,-0.1 3,-0.0 3,-0.1 -2,-0.0 0.845 123.8 -7.2 -89.2 -35.3 -11.9 22.2 3.2 18 20 A F S S+ 0 0 59 2,-0.0 2,-0.3 25,-0.0 25,-0.2 -0.331 118.2 53.6-166.3 60.7 -8.4 22.4 4.5 19 21 A G S S- 0 0 17 19,-0.1 -3,-1.2 24,-0.1 2,-0.3 -0.908 77.2-100.1-175.5 172.9 -7.0 25.9 5.0 20 22 A D E -BC 15 37A 52 17,-2.0 17,-2.7 -2,-0.3 2,-0.4 -0.813 27.5-142.4-108.5 153.0 -8.0 29.0 6.7 21 23 A I E -BC 14 36A 17 -7,-2.1 -8,-2.6 -2,-0.3 -7,-1.5 -0.936 17.2-174.8-120.5 135.1 -9.6 32.0 5.0 22 24 A Y E -BC 12 35A 2 13,-2.3 13,-2.6 -2,-0.4 -10,-0.2 -0.909 27.8-112.2-126.9 151.3 -8.9 35.6 5.9 23 25 A L E + C 0 34A 10 -12,-2.9 -13,-2.2 -2,-0.3 2,-0.3 -0.501 44.4 172.0 -75.7 151.7 -10.4 38.9 4.8 24 26 A G E -BC 9 33A 1 9,-1.8 9,-2.5 -15,-0.2 2,-0.4 -0.978 27.2-133.8-154.4 167.4 -8.1 41.1 2.7 25 27 A T E -BC 8 32A 24 -17,-2.1 -17,-2.5 -2,-0.3 2,-1.2 -0.978 12.3-142.8-130.9 126.1 -7.8 44.3 0.7 26 28 A D E >>> -BC 7 31A 3 5,-3.4 5,-1.6 -2,-0.4 3,-0.9 -0.730 22.0-170.8 -76.6 102.6 -6.1 44.7 -2.7 27 29 A I T 345S+ 0 0 89 -21,-1.9 -1,-0.2 -2,-1.2 -20,-0.1 0.709 79.9 63.5 -74.1 -18.8 -4.8 48.2 -1.8 28 30 A A T 345S+ 0 0 59 -22,-0.6 -1,-0.3 1,-0.1 -21,-0.1 -0.089 120.0 18.5 -89.8 31.8 -3.7 48.6 -5.4 29 31 A A T <45S- 0 0 64 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.1 0.708 102.0-118.5-136.6 -51.8 -7.3 48.4 -6.7 30 32 A G T <5 + 0 0 68 -4,-0.8 2,-0.3 1,-0.1 -3,-0.2 0.489 61.7 140.9-100.8 125.6 -8.9 49.0 -4.2 31 33 A E E < -C 26 0A 52 -5,-1.6 -5,-3.4 47,-0.0 2,-0.4 -0.931 49.1-122.5-130.2 142.4 -10.9 45.7 -3.7 32 34 A E E +C 25 0A 45 -2,-0.3 47,-1.3 -7,-0.2 2,-0.3 -0.713 41.2 176.3 -81.1 133.4 -12.0 43.4 -0.9 33 35 A V E -CD 24 78A 0 -9,-2.5 -9,-1.8 -2,-0.4 2,-0.4 -0.866 30.3-120.9-133.0 165.8 -10.7 39.9 -1.4 34 36 A A E -CD 23 77A 8 43,-2.7 43,-2.8 -2,-0.3 2,-0.5 -0.922 24.6-159.3-109.7 138.2 -10.6 36.5 0.3 35 37 A I E -CD 22 76A 0 -13,-2.6 -13,-2.3 -2,-0.4 2,-0.5 -0.957 2.2-158.1-125.2 116.8 -7.3 34.9 1.1 36 38 A K E -CD 21 75A 12 39,-2.7 39,-2.3 -2,-0.5 2,-0.4 -0.806 12.0-164.6 -98.6 132.6 -6.8 31.2 1.7 37 39 A L E -CD 20 74A 12 -17,-2.7 -17,-2.0 -2,-0.5 2,-0.4 -0.904 5.7-170.9-119.5 144.5 -3.7 30.1 3.7 38 40 A E E - D 0 73A 19 35,-1.8 35,-2.4 -2,-0.4 2,-0.2 -0.981 26.4-118.8-141.3 123.9 -2.2 26.6 4.0 39 41 A C E D 0 72A 97 -2,-0.4 33,-0.2 33,-0.2 32,-0.0 -0.411 360.0 360.0 -60.5 120.6 0.6 25.4 6.3 40 42 A V 0 0 132 31,-2.0 -1,-0.1 -2,-0.2 32,-0.1 0.981 360.0 360.0 -63.3 360.0 3.6 24.1 4.3 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 47 A P 0 0 146 0, 0.0 -2,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 139.7 -0.5 19.8 0.8 43 48 A Q > + 0 0 70 -25,-0.2 4,-2.0 2,-0.1 5,-0.2 0.533 360.0 89.9-141.4 -18.3 -3.6 20.6 -1.3 44 49 A L H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.878 88.4 53.3 -60.1 -41.7 -3.9 24.4 -2.0 45 50 A H H > S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 108.6 49.9 -64.6 -41.7 -1.9 24.4 -5.2 46 51 A I H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 111.3 48.7 -59.1 -47.9 -4.0 21.6 -6.8 47 52 A E H X S+ 0 0 4 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.884 109.6 53.1 -59.9 -38.8 -7.2 23.4 -5.9 48 53 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.871 105.5 53.0 -68.4 -36.1 -5.8 26.5 -7.4 49 54 A K H X S+ 0 0 113 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.926 110.5 49.3 -60.5 -42.4 -5.0 24.7 -10.7 50 55 A I H X S+ 0 0 7 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.948 109.5 50.1 -61.9 -49.1 -8.6 23.5 -10.7 51 56 A Y H X S+ 0 0 5 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.890 109.6 52.0 -53.5 -42.9 -9.9 27.1 -10.1 52 57 A K H >< S+ 0 0 94 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.857 107.1 52.2 -66.0 -34.8 -7.7 28.3 -12.9 53 58 A M H 3< S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.806 109.8 50.8 -67.4 -28.2 -9.2 25.7 -15.2 54 59 A M H >< S+ 0 0 0 -4,-1.6 3,-1.5 -3,-0.2 -1,-0.2 0.591 82.2 122.9 -84.9 -11.1 -12.7 26.9 -14.3 55 60 A Q T << + 0 0 58 -4,-0.8 3,-0.1 -3,-0.5 7,-0.1 -0.180 65.4 32.8 -57.4 139.9 -12.0 30.6 -15.0 56 61 A G T 3 S+ 0 0 80 1,-0.4 -1,-0.2 4,-0.3 3,-0.1 -0.084 87.7 117.3 106.2 -33.4 -14.3 32.3 -17.5 57 62 A G S X S- 0 0 14 -3,-1.5 3,-1.3 1,-0.1 -1,-0.4 -0.286 77.5 -93.6 -64.4 152.1 -17.4 30.3 -16.7 58 63 A V T 3 S+ 0 0 91 1,-0.2 -1,-0.1 -3,-0.1 55,-0.1 -0.461 109.5 14.0 -64.3 135.5 -20.5 32.1 -15.3 59 64 A G T 3 S+ 0 0 3 1,-0.2 83,-2.2 -2,-0.2 -1,-0.2 0.736 91.0 127.9 69.8 24.0 -20.5 32.0 -11.5 60 65 A I < - 0 0 9 -3,-1.3 -4,-0.3 81,-0.2 -1,-0.2 -0.966 61.7-122.1-108.8 122.9 -16.9 31.0 -11.1 61 66 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.307 27.6-115.8 -64.4 145.1 -15.0 33.2 -8.7 62 67 A T - 0 0 48 -7,-0.1 16,-2.1 -6,-0.0 2,-0.6 -0.665 16.1-133.3 -88.8 134.5 -11.9 34.9 -10.2 63 68 A I E -E 77 0A 24 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.751 20.2-175.8 -83.2 120.8 -8.5 34.1 -8.8 64 69 A R E - 0 0 101 12,-2.7 2,-0.3 -2,-0.6 13,-0.2 0.870 67.0 -3.3 -85.7 -36.6 -6.6 37.4 -8.3 65 70 A W E -E 76 0A 83 11,-2.1 11,-3.1 2,-0.0 2,-0.4 -0.983 54.2-164.8-159.7 140.0 -3.3 35.8 -7.2 66 71 A C E +E 75 0A 36 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.993 39.4 91.9-127.9 137.1 -1.7 32.5 -6.5 67 72 A G E -E 74 0A 26 7,-2.4 7,-2.7 -2,-0.4 2,-0.3 -0.954 58.2 -83.3 177.9-160.0 1.6 31.9 -4.7 68 73 A A E +E 73 0A 66 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.999 29.7 173.2-142.2 142.1 3.5 31.2 -1.5 69 74 A E E > -E 72 0A 83 3,-2.5 3,-2.1 -2,-0.3 -2,-0.0 -0.986 56.4 -31.2-149.7 138.4 4.8 33.4 1.4 70 75 A G T 3 S- 0 0 73 -2,-0.3 311,-0.1 1,-0.3 310,-0.0 -0.284 124.9 -19.6 54.9-132.7 6.4 32.6 4.7 71 76 A D T 3 S+ 0 0 82 309,-0.2 -31,-2.0 -31,-0.1 2,-0.4 0.235 125.1 85.6 -87.8 16.0 5.1 29.4 6.2 72 77 A Y E < -DE 39 69A 35 -3,-2.1 -3,-2.5 -33,-0.2 2,-0.4 -0.914 66.5-142.7-129.1 142.5 2.1 29.5 4.0 73 78 A N E -DE 38 68A 38 -35,-2.4 -35,-1.8 -2,-0.4 2,-0.4 -0.818 38.0-155.5 -84.2 141.4 0.7 28.7 0.6 74 79 A V E -DE 37 67A 1 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.4 -0.976 22.2-176.7-134.2 129.3 -1.6 31.5 -0.4 75 80 A M E -DE 36 66A 1 -39,-2.3 -39,-2.7 -2,-0.4 2,-0.5 -0.986 11.2-159.1-122.3 126.6 -4.6 31.9 -2.8 76 81 A V E +DE 35 65A 0 -11,-3.1 -12,-2.7 -2,-0.4 -11,-2.1 -0.915 18.2 171.7-111.1 123.6 -6.3 35.3 -3.4 77 82 A M E -DE 34 63A 23 -43,-2.8 -43,-2.7 -2,-0.5 -14,-0.2 -0.820 42.2 -90.6-127.3 152.7 -9.8 35.3 -4.7 78 83 A E E -D 33 0A 36 -16,-2.1 2,-0.4 -2,-0.3 -45,-0.2 -0.492 47.4-121.2 -63.1 136.2 -12.5 37.9 -5.3 79 84 A L - 0 0 18 -47,-1.3 2,-0.1 -2,-0.2 -47,-0.1 -0.692 35.5-169.7 -81.7 130.5 -14.6 38.1 -2.1 80 85 A L - 0 0 9 -2,-0.4 221,-0.3 1,-0.2 52,-0.2 -0.268 22.8 -83.2-106.4-164.6 -18.3 37.3 -2.9 81 86 A G - 0 0 0 50,-3.5 -1,-0.2 1,-0.2 219,-0.2 0.037 64.6 -46.2 -90.6-161.4 -21.5 37.6 -0.9 82 87 A P - 0 0 8 0, 0.0 49,-2.5 0, 0.0 -1,-0.2 -0.265 60.4-109.7 -68.0 151.6 -23.2 35.4 1.7 83 88 A S B > -F 130 0B 2 47,-0.2 4,-2.3 217,-0.1 47,-0.3 -0.313 29.6-106.4 -73.9 166.6 -23.6 31.7 1.2 84 89 A L H > S+ 0 0 0 45,-2.1 4,-1.7 42,-1.4 43,-0.2 0.790 122.8 54.9 -64.4 -28.6 -27.0 30.1 0.5 85 90 A E H > S+ 0 0 24 41,-0.7 4,-2.4 44,-0.3 -1,-0.2 0.918 107.3 49.0 -68.2 -45.4 -26.9 28.7 4.1 86 91 A D H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.938 114.2 45.1 -55.8 -51.1 -26.3 32.2 5.5 87 92 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.837 109.0 57.2 -63.4 -35.5 -29.2 33.6 3.5 88 93 A F H <>S+ 0 0 0 -4,-1.7 5,-2.6 1,-0.2 6,-0.6 0.922 107.8 47.7 -61.9 -45.2 -31.3 30.6 4.4 89 94 A N H ><5S+ 0 0 18 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.871 108.8 53.5 -62.8 -39.0 -30.8 31.5 8.1 90 95 A F H 3<5S+ 0 0 5 -4,-2.1 271,-0.4 1,-0.3 -1,-0.2 0.811 105.3 55.3 -64.2 -28.5 -31.7 35.2 7.4 91 96 A C T ><5S- 0 0 11 -4,-1.5 3,-0.8 -3,-0.2 -1,-0.3 0.033 126.1-100.3 -96.0 26.4 -34.9 34.1 5.8 92 97 A S T < 5 - 0 0 47 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.790 69.5 -67.4 63.7 31.7 -35.9 32.1 9.0 93 98 A R T 3 - 0 0 48 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.351 29.6-108.4 -71.7 162.1 -40.4 30.3 -1.1 97 102 A L H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 119.3 54.9 -59.4 -41.5 -41.0 28.0 -4.0 98 103 A K H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 108.9 47.5 -57.7 -47.0 -40.1 30.8 -6.5 99 104 A T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 110.7 52.0 -61.9 -43.3 -36.7 31.3 -4.8 100 105 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.898 112.1 45.5 -60.8 -42.3 -36.0 27.6 -4.7 101 106 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.899 111.3 52.3 -69.9 -38.7 -36.7 27.3 -8.5 102 107 A L H X S+ 0 0 3 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.889 113.2 45.4 -61.7 -40.4 -34.6 30.4 -9.2 103 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.905 109.7 55.4 -68.3 -40.5 -31.8 28.9 -7.3 104 109 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.889 103.0 55.2 -62.3 -43.7 -32.2 25.5 -8.9 105 110 A D H X S+ 0 0 28 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.979 115.0 37.6 -51.7 -60.1 -31.9 26.9 -12.4 106 111 A Q H X S+ 0 0 16 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.866 115.1 53.6 -60.6 -43.0 -28.5 28.5 -11.7 107 112 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.909 108.2 49.5 -63.4 -45.3 -27.2 25.7 -9.5 108 113 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.910 111.5 51.8 -58.1 -42.7 -27.9 23.0 -12.2 109 114 A S H X S+ 0 0 33 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.912 108.7 49.1 -59.7 -44.3 -26.1 25.3 -14.6 110 115 A R H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.944 111.6 48.8 -60.0 -49.1 -23.0 25.6 -12.4 111 116 A I H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.906 110.3 52.5 -58.6 -40.6 -22.8 21.9 -11.8 112 117 A E H X S+ 0 0 57 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.898 108.4 50.2 -63.8 -41.0 -23.1 21.4 -15.6 113 118 A Y H X S+ 0 0 46 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.950 109.1 50.3 -62.0 -48.0 -20.2 23.8 -16.3 114 119 A I H <>S+ 0 0 0 -4,-2.5 5,-1.8 1,-0.2 3,-0.5 0.906 111.8 49.3 -57.1 -41.8 -17.9 22.1 -13.8 115 120 A H H ><5S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.879 104.5 58.4 -62.3 -37.2 -18.8 18.8 -15.5 116 121 A S H 3<5S+ 0 0 56 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.750 102.2 56.1 -65.7 -23.3 -18.1 20.4 -18.9 117 122 A K T 3<5S- 0 0 84 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.108 123.5-103.2 -97.6 23.4 -14.6 21.1 -17.6 118 123 A N T < 5S+ 0 0 29 -3,-1.8 33,-2.0 1,-0.2 34,-0.9 0.488 84.6 109.3 77.8 6.5 -13.9 17.4 -16.8 119 124 A F E < -H 150 0C 8 -5,-1.8 2,-0.4 31,-0.2 31,-0.2 -0.843 54.5-149.4-117.4 151.9 -14.4 17.7 -13.0 120 125 A I E -H 149 0C 0 29,-3.0 29,-2.0 -2,-0.3 65,-0.1 -0.962 12.5-149.1-111.6 139.3 -16.9 16.6 -10.4 121 126 A H - 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