==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JUN-02 1H01 . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.A.BREAULT,R.P.A.ELLSTON,S.GREEN,S.R.JAMES,P.J.JEWSBURY, . 287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 63.8 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 . 41 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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-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 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 2 0 2 0 0 1 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 . 1 1 1 0 0 3 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 . 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 46 0, 0.0 3,-0.5 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 -16.4 -12.3 30.4 -2.9 2 2 A E + 0 0 75 1,-0.2 2,-0.2 3,-0.1 22,-0.0 0.929 360.0 42.5 -81.0 -50.5 -13.1 31.6 -6.5 3 3 A N S S+ 0 0 75 20,-0.1 21,-2.3 21,-0.0 22,-0.5 -0.127 99.4 100.2 -88.9 38.0 -10.1 33.8 -7.1 4 4 A F E -A 23 0A 25 -3,-0.5 2,-0.6 19,-0.3 19,-0.2 -0.976 52.6-164.8-131.8 123.4 -7.8 31.2 -5.5 5 5 A Q E -A 22 0A 104 17,-2.6 17,-2.2 -2,-0.4 2,-0.2 -0.917 24.5-130.7-105.5 117.7 -5.6 28.7 -7.2 6 6 A K E +A 21 0A 105 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.485 25.8 178.1 -69.6 132.3 -4.3 25.9 -5.0 7 7 A V E - 0 0 62 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.804 62.2 -39.8 -99.5 -44.4 -0.6 25.3 -5.3 8 8 A E E -A 20 0A 111 12,-1.4 12,-2.8 0, 0.0 2,-0.5 -0.968 62.0 -85.0-174.8 163.5 -0.2 22.5 -2.7 9 9 A K E -A 19 0A 113 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.711 32.1-172.7 -83.1 127.1 -1.3 21.3 0.7 10 10 A I E - 0 0 84 8,-2.7 2,-0.3 -2,-0.5 9,-0.2 0.836 51.7 -80.8 -87.0 -38.8 0.7 22.9 3.5 11 11 A G E -A 18 0A 23 7,-1.7 7,-2.5 0, 0.0 2,-0.5 -0.989 48.9 -62.3 166.7-160.7 -0.6 20.9 6.3 12 12 A E E -A 17 0A 98 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.979 38.7-164.6-126.2 126.2 -3.5 20.5 8.8 13 13 A G - 0 0 18 3,-2.5 138,-0.3 -2,-0.5 139,-0.3 -0.141 42.3 -89.7 -92.0-167.2 -4.5 23.0 11.4 14 14 A T S S+ 0 0 9 136,-0.1 137,-1.5 1,-0.1 138,-0.1 0.871 124.1 23.2 -72.0 -37.2 -6.7 22.6 14.5 15 15 A Y S S- 0 0 30 1,-0.2 21,-0.4 135,-0.2 2,-0.3 0.716 127.8 -12.6-104.1 -27.6 -9.8 23.5 12.6 16 16 A G S S- 0 0 1 19,-0.2 -3,-2.5 136,-0.0 -1,-0.2 -0.989 74.3 -70.9-166.3 173.2 -9.1 22.8 8.9 17 17 A V E -AB 12 34A 13 17,-0.8 17,-2.6 -2,-0.3 2,-0.4 -0.359 41.8-145.2 -71.5 151.7 -6.7 22.0 6.1 18 18 A V E -AB 11 33A 24 -7,-2.5 -8,-2.7 15,-0.2 -7,-1.7 -0.984 15.4-173.5-125.7 129.5 -4.3 24.7 5.0 19 19 A Y E -AB 9 32A 35 13,-2.7 13,-3.5 -2,-0.4 2,-0.5 -0.849 27.6-125.9-118.1 154.3 -3.2 25.2 1.4 20 20 A K E +AB 8 31A 43 -12,-2.8 -13,-3.0 -2,-0.3 -12,-1.4 -0.861 48.9 169.3 -92.2 132.2 -0.6 27.5 -0.2 21 21 A A E -AB 6 30A 0 9,-2.8 9,-3.0 -2,-0.5 2,-0.4 -0.927 32.9-127.4-143.4 168.8 -2.6 29.3 -2.9 22 22 A R E -AB 5 29A 96 -17,-2.2 -17,-2.6 -2,-0.3 2,-0.8 -0.975 27.3-117.9-124.1 132.1 -2.4 32.2 -5.3 23 23 A N E > -A 4 0A 25 5,-3.4 4,-3.2 -2,-0.4 -19,-0.3 -0.540 21.6-148.2 -67.2 107.1 -5.0 35.0 -5.7 24 24 A K T 4 S+ 0 0 135 -21,-2.3 -1,-0.2 -2,-0.8 -20,-0.2 0.604 94.9 36.9 -54.1 -12.6 -6.3 34.5 -9.3 25 25 A L T 4 S+ 0 0 136 -22,-0.5 -1,-0.2 3,-0.1 -21,-0.1 0.776 129.3 26.1-109.2 -39.9 -6.8 38.2 -9.5 26 26 A T T 4 S- 0 0 91 -23,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.478 91.9-130.9-103.1 -5.5 -4.0 39.9 -7.6 27 27 A G < + 0 0 41 -4,-3.2 -3,-0.1 1,-0.2 2,-0.1 0.498 53.1 156.7 68.5 0.9 -1.4 37.0 -8.0 28 28 A E - 0 0 88 -5,-0.2 -5,-3.4 -6,-0.1 2,-0.5 -0.358 40.3-133.8 -62.5 133.1 -0.9 37.3 -4.3 29 29 A V E +B 22 0A 53 -7,-0.2 45,-0.7 -3,-0.1 2,-0.3 -0.792 38.3 162.8 -91.3 128.6 0.5 34.2 -2.7 30 30 A V E -BC 21 73A 0 -9,-3.0 -9,-2.8 -2,-0.5 2,-0.6 -0.823 44.6-109.2-139.5 175.7 -1.3 33.2 0.5 31 31 A A E -BC 20 72A 14 41,-2.7 41,-3.0 -2,-0.3 2,-0.6 -0.960 36.1-159.1-108.2 118.6 -2.1 30.5 3.1 32 32 A L E -BC 19 71A 4 -13,-3.5 -13,-2.7 -2,-0.6 2,-0.5 -0.898 4.6-163.7-108.7 114.5 -5.7 29.4 2.7 33 33 A X E -BC 18 70A 6 37,-2.7 37,-2.5 -2,-0.6 2,-0.6 -0.841 5.0-161.3 -97.4 127.3 -7.4 27.7 5.6 34 34 A K E -BC 17 69A 18 -17,-2.6 -17,-0.8 -2,-0.5 2,-0.5 -0.937 5.0-169.7-113.0 117.1 -10.5 25.8 4.8 35 35 A I E C 0 68A 19 33,-2.6 33,-2.8 -2,-0.6 -19,-0.2 -0.925 360.0 360.0-111.5 122.7 -12.9 24.9 7.6 36 36 A R 0 0 185 -2,-0.5 31,-0.2 -21,-0.4 30,-0.1 -0.472 360.0 360.0 -86.7 360.0 -15.8 22.6 7.0 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 46 A S > 0 0 117 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -42.5 -22.8 33.9 13.3 39 47 A T H > + 0 0 118 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.879 360.0 49.8 -66.8 -38.1 -21.0 34.9 16.6 40 48 A A H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.901 109.6 52.1 -67.0 -40.8 -17.9 33.1 15.4 41 49 A I H > S+ 0 0 42 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.923 111.5 45.1 -62.5 -45.5 -18.0 34.9 12.1 42 50 A R H X S+ 0 0 186 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.947 113.8 50.7 -63.1 -46.7 -18.3 38.3 13.7 43 51 A E H < S+ 0 0 60 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.915 115.0 42.0 -55.8 -48.5 -15.5 37.4 16.2 44 52 A I H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 4,-0.3 0.881 109.9 57.1 -68.5 -40.3 -13.2 36.3 13.4 45 53 A S H >< S+ 0 0 35 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.864 99.7 60.3 -59.8 -34.5 -14.0 39.1 11.1 46 54 A L G >< S+ 0 0 92 -4,-1.9 3,-1.3 1,-0.3 -1,-0.3 0.717 90.8 70.8 -65.4 -20.6 -13.0 41.5 13.8 47 55 A L G X S+ 0 0 12 -3,-1.4 3,-1.2 -4,-0.4 11,-0.3 0.646 76.1 80.2 -72.3 -14.3 -9.5 40.0 13.7 48 56 A K G < S+ 0 0 78 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.705 94.1 49.1 -65.7 -16.7 -8.9 41.6 10.3 49 57 A E G < S+ 0 0 162 -3,-1.3 2,-1.8 -4,-0.2 -1,-0.3 0.498 83.9 94.1 -98.5 -6.3 -8.1 44.8 12.2 50 58 A L < + 0 0 17 -3,-1.2 2,-0.4 -4,-0.2 8,-0.1 -0.537 60.4 165.0 -87.5 72.5 -5.7 43.2 14.7 51 59 A N + 0 0 69 -2,-1.8 5,-0.1 6,-0.1 -3,-0.0 -0.772 6.9 145.2 -99.6 134.6 -2.5 44.0 12.6 52 60 A H > - 0 0 44 3,-0.4 3,-2.2 -2,-0.4 54,-0.0 -0.967 55.3-112.4-161.7 145.7 1.1 43.8 13.8 53 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.763 118.1 47.2 -53.4 -27.4 4.5 42.8 12.3 54 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.4 48,-0.1 2,-0.4 0.159 98.8 79.1-104.5 20.3 4.6 39.8 14.6 55 63 A I B < S-e 135 0B 9 -3,-2.2 -3,-0.4 79,-0.3 2,-0.3 -0.994 89.6-112.4-125.2 129.8 1.1 38.5 14.0 56 64 A V - 0 0 11 79,-2.6 81,-0.2 -2,-0.4 82,-0.1 -0.483 43.0-115.7 -62.8 120.4 0.3 36.6 10.8 57 65 A K - 0 0 86 -2,-0.3 16,-2.2 -4,-0.1 2,-1.0 -0.370 14.9-142.8 -64.7 129.1 -2.0 38.9 8.9 58 66 A L E -D 72 0A 12 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.841 21.1-177.4 -92.0 102.5 -5.6 37.7 8.4 59 67 A L E - 0 0 30 12,-2.2 2,-0.3 -2,-1.0 -1,-0.2 0.937 57.7 -14.0 -68.4 -49.9 -6.2 39.0 4.9 60 68 A D E -D 71 0A 86 11,-1.3 11,-2.9 2,-0.0 2,-0.4 -0.976 47.5-139.4-153.5 164.7 -9.9 37.9 4.5 61 69 A V E -D 70 0A 23 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.995 21.1-169.9-128.9 120.5 -12.7 35.8 5.9 62 70 A I E -D 69 0A 42 7,-3.4 7,-3.2 -2,-0.4 2,-0.7 -0.919 5.7-173.3-120.7 108.6 -14.9 34.0 3.3 63 71 A H E +D 68 0A 117 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.874 29.6 136.9-101.0 109.6 -18.1 32.3 4.5 64 72 A T E > +D 67 0A 69 3,-2.2 3,-0.7 -2,-0.7 -2,-0.1 -0.975 58.0 3.4-156.3 139.5 -19.6 30.4 1.6 65 73 A E T 3 S- 0 0 84 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.927 125.3 -53.9 53.0 56.8 -21.3 27.0 1.0 66 74 A N T 3 S+ 0 0 152 1,-0.2 2,-0.3 -30,-0.1 -1,-0.2 0.769 119.1 106.2 52.6 28.6 -21.2 25.7 4.6 67 75 A K E < - D 0 64A 56 -3,-0.7 -3,-2.2 -31,-0.2 2,-0.6 -0.990 60.5-146.0-138.2 146.0 -17.4 26.4 4.7 68 76 A L E -CD 35 63A 13 -33,-2.8 -33,-2.6 -2,-0.3 2,-0.5 -0.955 14.5-165.4-116.0 116.8 -15.3 29.1 6.3 69 77 A Y E -CD 34 62A 25 -7,-3.2 -7,-3.4 -2,-0.6 2,-0.5 -0.873 1.9-166.7-103.0 128.6 -12.2 30.2 4.4 70 78 A L E -CD 33 61A 0 -37,-2.5 -37,-2.7 -2,-0.5 2,-0.6 -0.973 9.6-152.7-116.0 121.0 -9.6 32.2 6.3 71 79 A V E -CD 32 60A 2 -11,-2.9 -12,-2.2 -2,-0.5 -11,-1.3 -0.857 19.2-175.8 -98.7 118.0 -7.0 33.9 4.0 72 80 A F E -CD 31 58A 20 -41,-3.0 -41,-2.7 -2,-0.6 -14,-0.2 -0.804 35.0-100.7-115.1 154.0 -3.6 34.5 5.7 73 81 A E E -C 30 0A 50 -16,-2.2 2,-0.4 -2,-0.3 -43,-0.2 -0.468 53.5-113.8 -63.4 141.2 -0.4 36.1 4.7 74 82 A F - 0 0 35 -45,-0.7 2,-0.4 -2,-0.1 -1,-0.1 -0.685 32.8-175.2 -89.1 132.2 1.9 33.2 3.7 75 83 A L - 0 0 16 -2,-0.4 53,-0.1 1,-0.1 3,-0.0 -0.936 26.1-132.4-119.7 145.5 5.0 32.3 5.7 76 84 A H S S+ 0 0 137 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.666 76.3 7.0 -76.9 -17.2 7.4 29.6 4.4 77 85 A Q E -F 127 0B 42 50,-1.0 50,-2.3 4,-0.0 2,-0.2 -0.996 61.6-121.6-158.4 164.2 7.8 27.5 7.5 78 86 A D E > -F 126 0B 41 -2,-0.3 4,-1.2 48,-0.3 48,-0.3 -0.648 32.2-114.7-103.5 164.5 6.8 26.9 11.1 79 87 A L H > S+ 0 0 0 46,-3.0 4,-2.8 43,-1.0 5,-0.2 0.826 110.8 66.3 -65.7 -32.5 9.1 26.9 14.2 80 88 A K H > S+ 0 0 53 42,-1.1 4,-2.3 45,-0.3 -1,-0.2 0.936 101.5 46.8 -55.1 -49.9 8.5 23.2 14.8 81 89 A K H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 113.0 50.2 -60.3 -39.9 10.3 22.2 11.6 82 90 A F H X S+ 0 0 3 -4,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.895 109.4 50.4 -66.9 -41.3 13.2 24.6 12.5 83 91 A M H < S+ 0 0 22 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.909 112.1 47.9 -64.2 -40.9 13.5 23.2 16.0 84 92 A D H >< S+ 0 0 96 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.893 110.6 50.9 -66.5 -39.0 13.7 19.6 14.5 85 93 A A H 3< S+ 0 0 71 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.723 112.1 48.6 -70.2 -20.8 16.2 20.6 11.9 86 94 A S T 3X S+ 0 0 11 -4,-1.2 4,-3.0 -3,-0.2 -1,-0.3 0.203 77.2 111.9-103.0 14.6 18.3 22.2 14.7 87 95 A A T <4 S+ 0 0 60 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.814 80.9 41.5 -57.7 -35.2 18.1 19.1 17.0 88 96 A L T 4 S+ 0 0 90 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.834 132.0 20.4 -84.2 -34.5 21.8 18.3 16.7 89 97 A T T 4 S- 0 0 117 -4,-0.2 -2,-0.2 3,-0.0 -3,-0.1 0.735 100.0-135.0-105.6 -31.0 23.3 21.8 16.9 90 98 A G < - 0 0 11 -4,-3.0 -3,-0.1 -7,-0.2 99,-0.1 0.265 30.8 -69.6 85.8 146.1 20.6 23.8 18.5 91 99 A I - 0 0 14 97,-0.5 5,-0.1 1,-0.1 100,-0.0 -0.548 61.8-104.1 -71.0 126.3 19.2 27.2 17.7 92 100 A P >> - 0 0 84 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.220 26.1-122.0 -52.0 138.7 21.8 29.9 18.5 93 101 A L H 3> S+ 0 0 70 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.886 110.6 57.4 -50.9 -45.1 21.0 31.8 21.7 94 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.8 0, 0.0 188,-0.4 0.874 109.7 45.3 -56.8 -35.6 21.0 35.2 19.9 95 103 A L H <> S+ 0 0 6 -3,-0.9 4,-2.8 2,-0.2 -2,-0.2 0.868 110.9 52.8 -75.1 -36.9 18.3 33.9 17.5 96 104 A I H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.933 111.0 47.9 -62.6 -42.7 16.3 32.3 20.4 97 105 A K H X S+ 0 0 15 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.902 111.3 50.5 -64.4 -40.6 16.4 35.7 22.1 98 106 A S H X S+ 0 0 3 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.931 111.7 47.2 -63.4 -46.3 15.3 37.5 18.9 99 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.936 113.5 47.4 -61.8 -46.1 12.4 35.1 18.4 100 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.917 111.7 52.0 -60.6 -43.2 11.3 35.4 22.1 101 109 A F H X S+ 0 0 56 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.923 113.4 43.5 -58.5 -47.2 11.6 39.2 21.9 102 110 A Q H X S+ 0 0 14 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.884 111.9 52.4 -68.4 -40.3 9.4 39.4 18.7 103 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.881 107.5 52.9 -64.2 -37.2 6.8 36.9 20.0 104 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.842 106.2 53.6 -66.1 -33.2 6.5 39.0 23.2 105 113 A Q H X S+ 0 0 63 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.896 109.1 49.1 -67.2 -39.2 5.9 42.1 21.0 106 114 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.920 113.3 45.8 -65.8 -43.5 3.1 40.2 19.2 107 115 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.927 109.8 54.6 -64.8 -43.9 1.5 39.1 22.5 108 116 A A H X S+ 0 0 15 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.887 110.1 47.8 -57.2 -39.7 1.8 42.6 24.0 109 117 A F H X S+ 0 0 43 -4,-1.9 4,-0.8 2,-0.2 3,-0.2 0.973 115.6 41.5 -66.1 -55.3 -0.1 44.0 21.0 110 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-1.2 0.917 114.2 52.3 -60.5 -43.9 -2.9 41.4 21.0 111 119 A H H ><5S+ 0 0 12 -4,-3.2 3,-1.8 1,-0.3 -1,-0.2 0.830 101.0 61.6 -62.9 -30.6 -3.2 41.5 24.8 112 120 A S H 3<5S+ 0 0 74 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.770 107.3 45.8 -66.4 -22.9 -3.5 45.3 24.7 113 121 A H T <<5S- 0 0 108 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.180 122.1-110.2-101.9 14.5 -6.7 44.8 22.6 114 122 A R T < 5S+ 0 0 172 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.760 76.1 133.0 63.4 28.3 -7.9 42.1 25.0 115 123 A V < - 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