==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER KINASE 24-JUN-03 1OIR . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.F.BEATTIE,G.A.BREAULT,K.F.BYTH,J.D.CULSHAW,R.P.A.ELLSTON, . 287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 64.8 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 . 42 14.6 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 . 36 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 26.1 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 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 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 31 0, 0.0 3,-1.1 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -37.7 -12.5 29.7 -4.1 2 2 A E T 3 + 0 0 160 1,-0.2 22,-0.0 3,-0.1 0, 0.0 0.699 360.0 61.2 -63.7 -19.7 -13.1 29.9 -7.8 3 3 A N T 3 S+ 0 0 75 20,-0.1 21,-2.5 21,-0.1 22,-0.5 0.422 95.7 71.3 -84.9 -6.5 -10.7 32.8 -7.1 4 4 A F E < -A 23 0A 14 -3,-1.1 2,-0.7 19,-0.3 19,-0.2 -0.970 63.2-151.9-123.1 129.3 -7.8 30.7 -5.8 5 5 A Q E -A 22 0A 98 17,-3.2 17,-2.1 -2,-0.4 2,-0.3 -0.893 26.7-135.1 -88.7 111.3 -5.4 28.3 -7.6 6 6 A K E -A 21 0A 88 -2,-0.7 15,-0.3 15,-0.2 3,-0.1 -0.563 24.5-178.5 -69.7 125.8 -4.4 25.7 -5.0 7 7 A V E - 0 0 59 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.877 59.2 -32.9 -92.1 -52.2 -0.6 25.2 -5.3 8 8 A E E -A 20 0A 117 12,-1.3 12,-3.0 0, 0.0 2,-0.5 -0.973 60.9 -94.6-164.4 158.2 -0.0 22.5 -2.6 9 9 A K E -A 19 0A 110 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.684 34.3-178.9 -74.0 123.7 -1.2 21.2 0.7 10 10 A I E - 0 0 77 8,-2.3 2,-0.3 -2,-0.5 9,-0.2 0.661 52.6 -69.2-100.5 -20.0 1.0 22.8 3.4 11 11 A G E -A 18 0A 22 7,-1.7 7,-2.9 2,-0.0 2,-0.4 -0.995 45.7 -70.0 165.7-161.1 -0.6 21.1 6.4 12 12 A E E -A 17 0A 102 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.988 35.3-165.1-131.9 117.5 -3.4 20.5 8.8 13 13 A G - 0 0 17 3,-2.5 139,-0.3 -2,-0.4 138,-0.2 -0.165 41.7 -92.9 -88.7-174.1 -4.5 23.0 11.5 14 14 A T S S+ 0 0 11 136,-0.1 137,-1.8 1,-0.1 138,-0.1 0.858 124.3 25.6 -67.0 -34.7 -6.7 22.3 14.5 15 15 A Y S S- 0 0 33 1,-0.3 21,-0.4 135,-0.2 2,-0.3 0.717 127.7 -17.8-108.4 -29.3 -9.9 23.3 12.6 16 16 A G S S- 0 0 1 19,-0.2 -3,-2.5 136,-0.0 -1,-0.3 -0.991 72.7 -65.0-167.8 177.1 -9.1 22.7 9.0 17 17 A V E -AB 12 34A 13 17,-0.8 17,-2.7 -2,-0.3 2,-0.4 -0.355 39.2-146.4 -70.6 148.2 -6.7 22.0 6.1 18 18 A V E -AB 11 33A 23 -7,-2.9 -8,-2.3 15,-0.2 -7,-1.7 -0.976 14.9-173.8-122.8 129.0 -4.2 24.7 4.9 19 19 A Y E -AB 9 32A 55 13,-2.8 13,-3.7 -2,-0.4 2,-0.4 -0.899 27.0-126.7-116.5 145.0 -3.2 25.2 1.3 20 20 A K E +AB 8 31A 57 -12,-3.0 -13,-3.4 -2,-0.3 -12,-1.3 -0.802 47.9 174.8 -79.0 136.1 -0.6 27.4 -0.4 21 21 A A E -AB 6 30A 0 9,-2.4 9,-2.9 -2,-0.4 2,-0.4 -0.933 34.6-137.3-145.5 164.0 -2.5 29.2 -3.1 22 22 A R E -AB 5 29A 96 -17,-2.1 -17,-3.2 -2,-0.3 2,-0.6 -0.995 29.8-122.0-125.0 124.4 -2.3 31.9 -5.7 23 23 A N E > -A 4 0A 30 5,-2.9 4,-2.5 -2,-0.4 -19,-0.3 -0.568 22.6-142.1 -65.2 114.4 -5.2 34.4 -6.1 24 24 A K T 4 S+ 0 0 131 -21,-2.5 -1,-0.2 -2,-0.6 -20,-0.1 0.588 95.2 35.7 -60.0 -11.6 -6.2 33.8 -9.8 25 25 A L T 4 S+ 0 0 156 -22,-0.5 -1,-0.2 3,-0.1 -21,-0.1 0.807 127.7 28.5-108.2 -50.8 -6.8 37.5 -10.3 26 26 A T T 4 S- 0 0 95 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.532 91.4-132.8 -86.6 -11.0 -4.2 39.4 -8.3 27 27 A G < + 0 0 42 -4,-2.5 2,-0.2 1,-0.2 -3,-0.1 0.573 50.2 156.7 62.8 9.1 -1.5 36.7 -8.4 28 28 A E - 0 0 103 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.5 -0.452 40.9-132.6 -60.5 132.7 -1.0 37.2 -4.7 29 29 A V E +B 22 0A 54 -7,-0.2 45,-0.7 -2,-0.2 2,-0.3 -0.816 39.8 164.0 -89.9 127.2 0.6 34.1 -3.0 30 30 A V E -BC 21 73A 1 -9,-2.9 -9,-2.4 -2,-0.5 2,-0.5 -0.815 44.1-114.2-136.8 169.3 -1.3 33.2 0.2 31 31 A A E -BC 20 72A 10 41,-2.5 41,-3.1 -2,-0.3 2,-0.6 -0.975 35.0-159.8-105.7 125.5 -1.9 30.5 2.8 32 32 A L E -BC 19 71A 0 -13,-3.7 -13,-2.8 -2,-0.5 2,-0.5 -0.925 5.8-165.6-112.3 113.7 -5.6 29.4 2.5 33 33 A X E -BC 18 70A 6 37,-2.9 37,-2.8 -2,-0.6 2,-0.6 -0.863 5.2-159.6-100.5 130.5 -7.3 27.6 5.5 34 34 A K E -BC 17 69A 61 -17,-2.7 -17,-0.8 -2,-0.5 2,-0.6 -0.931 5.3-168.7-113.1 113.1 -10.5 25.8 4.7 35 35 A I E - C 0 68A 11 33,-2.9 33,-2.8 -2,-0.6 2,-0.7 -0.899 19.0-138.3-105.4 116.8 -12.8 25.1 7.7 36 36 A R E C 0 67A 81 -2,-0.6 31,-0.2 -21,-0.4 30,-0.1 -0.615 360.0 360.0 -74.1 111.1 -15.7 22.8 7.2 37 37 A L 0 0 96 29,-1.6 30,-0.2 -2,-0.7 -1,-0.1 0.665 360.0 360.0-104.0 360.0 -18.5 24.6 9.1 38 ! 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 39 47 A T > 0 0 133 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -35.4 -21.0 34.7 16.4 40 48 A A H > + 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.944 360.0 50.3 -60.5 -47.3 -17.8 32.9 15.2 41 49 A I H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.913 110.9 49.3 -56.0 -44.1 -18.0 34.7 11.9 42 50 A R H > S+ 0 0 163 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.955 114.5 43.5 -60.2 -50.4 -18.4 38.1 13.6 43 51 A E H X S+ 0 0 86 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.889 115.6 46.9 -64.9 -44.3 -15.4 37.5 16.0 44 52 A I H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 4,-0.4 0.903 108.9 55.8 -63.8 -42.7 -13.1 36.1 13.3 45 53 A S H >< S+ 0 0 36 -4,-2.3 3,-1.4 -5,-0.3 -1,-0.2 0.862 100.2 60.2 -59.0 -35.6 -14.1 38.9 11.0 46 54 A L H >< S+ 0 0 91 -4,-1.7 3,-1.5 1,-0.2 -1,-0.3 0.747 90.0 71.7 -61.0 -25.8 -12.9 41.4 13.7 47 55 A L G X< S+ 0 0 19 -3,-1.2 3,-1.4 -4,-0.7 11,-0.3 0.678 75.1 80.7 -70.5 -17.1 -9.4 39.9 13.6 48 56 A K G < S+ 0 0 84 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.1 0.758 95.1 47.3 -57.6 -26.8 -8.8 41.5 10.1 49 57 A E G < S+ 0 0 162 -3,-1.5 2,-1.8 -4,-0.2 -1,-0.3 0.501 85.1 94.7 -90.1 -6.3 -8.0 44.8 12.0 50 58 A L < + 0 0 16 -3,-1.4 2,-0.4 -4,-0.2 -1,-0.1 -0.516 61.4 164.5 -87.0 71.6 -5.7 43.1 14.6 51 59 A N + 0 0 71 -2,-1.8 5,-0.1 6,-0.1 6,-0.1 -0.781 7.3 144.1-104.9 129.2 -2.6 43.9 12.5 52 60 A H > - 0 0 42 -2,-0.4 3,-2.0 3,-0.4 54,-0.0 -0.980 55.9-112.4-156.9 149.4 1.0 43.8 13.8 53 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.790 118.8 47.1 -55.1 -26.5 4.4 42.8 12.3 54 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.4 48,-0.1 2,-0.4 0.151 99.2 80.7-106.4 17.6 4.6 39.7 14.6 55 63 A I B < S-e 135 0B 10 -3,-2.0 -3,-0.4 79,-0.3 81,-0.2 -0.988 90.7-110.3-119.0 133.9 1.0 38.5 13.9 56 64 A V - 0 0 9 79,-2.2 2,-0.2 -2,-0.4 82,-0.1 -0.427 43.5-109.4 -62.9 125.3 0.3 36.5 10.7 57 65 A K - 0 0 90 -2,-0.1 16,-2.3 -4,-0.1 2,-1.0 -0.441 20.8-151.1 -66.2 124.5 -1.8 38.8 8.5 58 66 A L E +D 72 0A 14 -11,-0.3 14,-0.2 -2,-0.2 3,-0.1 -0.851 19.3 179.4 -92.0 93.9 -5.4 37.8 8.1 59 67 A L E - 0 0 34 12,-1.8 2,-0.3 -2,-1.0 13,-0.2 0.846 56.8 -11.9 -66.8 -40.1 -6.1 39.1 4.6 60 68 A D E -D 71 0A 87 11,-1.3 11,-2.6 2,-0.0 2,-0.4 -0.989 48.2-140.5-163.7 158.0 -9.7 38.0 4.2 61 69 A V E -D 70 0A 21 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -1.000 19.9-170.4-129.1 121.9 -12.5 35.9 5.6 62 70 A I E -D 69 0A 42 7,-2.5 7,-3.4 -2,-0.4 2,-0.7 -0.964 3.9-171.9-119.7 116.9 -14.8 34.2 3.1 63 71 A H E +D 68 0A 111 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.895 28.5 138.4-109.3 103.0 -17.9 32.5 4.3 64 72 A T E > +D 67 0A 58 3,-1.7 3,-0.7 -2,-0.7 -2,-0.1 -0.996 56.7 0.6-145.3 143.4 -19.6 30.4 1.5 65 73 A E T 3 S- 0 0 148 -2,-0.3 -1,-0.1 1,-0.3 -28,-0.1 0.907 124.3 -50.7 55.5 55.9 -21.3 27.1 1.1 66 74 A N T 3 S+ 0 0 132 1,-0.2 -29,-1.6 -30,-0.1 2,-0.3 0.791 119.9 103.0 57.8 26.1 -21.1 25.7 4.6 67 75 A K E < -CD 36 64A 73 -3,-0.7 -3,-1.7 -31,-0.2 2,-0.5 -0.995 60.2-149.1-140.7 144.7 -17.3 26.5 4.7 68 76 A L E -CD 35 63A 3 -33,-2.8 -33,-2.9 -2,-0.3 2,-0.4 -0.971 16.1-163.2-115.5 117.9 -15.3 29.2 6.3 69 77 A Y E -CD 34 62A 15 -7,-3.4 -7,-2.5 -2,-0.5 2,-0.5 -0.842 2.0-161.9-103.1 131.9 -12.1 30.2 4.4 70 78 A L E -CD 33 61A 0 -37,-2.8 -37,-2.9 -2,-0.4 2,-0.7 -0.971 6.3-154.4-115.0 123.8 -9.4 32.2 6.1 71 79 A V E +CD 32 60A 4 -11,-2.6 -12,-1.8 -2,-0.5 -11,-1.3 -0.860 20.1 178.7-101.9 114.3 -6.9 33.9 3.8 72 80 A F E -CD 31 58A 23 -41,-3.1 -41,-2.5 -2,-0.7 -14,-0.2 -0.756 35.9 -99.4-111.3 154.5 -3.5 34.5 5.4 73 81 A E E -C 30 0A 45 -16,-2.3 2,-0.5 -2,-0.3 -43,-0.2 -0.421 51.1-107.0 -58.5 150.3 -0.2 36.0 4.3 74 82 A F - 0 0 66 -45,-0.7 2,-0.3 -2,-0.1 -1,-0.1 -0.764 34.9-168.9 -92.1 125.1 2.2 33.2 3.3 75 83 A L - 0 0 17 -2,-0.5 53,-0.2 1,-0.1 3,-0.1 -0.752 29.5-118.4-109.3 159.0 5.2 32.4 5.5 76 84 A H S S- 0 0 101 51,-0.5 2,-0.3 -2,-0.3 52,-0.2 0.888 77.3 -40.4 -63.6 -48.7 8.1 30.1 4.7 77 85 A Q E -F 127 0B 36 50,-1.6 50,-2.7 -3,-0.0 2,-0.2 -0.973 61.8 -84.8-166.3 173.5 7.7 27.5 7.4 78 86 A D E > -F 126 0B 50 -2,-0.3 4,-1.3 48,-0.2 3,-0.3 -0.578 31.9-120.0 -91.2 156.6 6.7 26.7 11.0 79 87 A L H > S+ 0 0 0 46,-3.1 4,-2.8 43,-0.8 44,-0.2 0.799 107.8 65.4 -62.2 -33.1 9.0 26.9 14.1 80 88 A K H > S+ 0 0 11 42,-0.7 4,-2.6 45,-0.3 -1,-0.2 0.925 102.8 47.5 -57.9 -44.9 8.4 23.1 14.9 81 89 A K H > S+ 0 0 135 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.903 112.2 49.5 -63.9 -40.2 10.1 22.1 11.7 82 90 A F H X S+ 0 0 9 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.923 111.3 49.4 -63.7 -44.2 13.1 24.4 12.4 83 91 A M H < S+ 0 0 23 -4,-2.8 -2,-0.2 1,-0.2 7,-0.2 0.931 111.8 49.1 -59.2 -51.9 13.4 23.1 16.0 84 92 A D H >< S+ 0 0 124 -4,-2.6 3,-1.1 1,-0.2 4,-0.2 0.878 112.3 47.1 -48.9 -48.2 13.3 19.5 14.6 85 93 A A H 3< S+ 0 0 83 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.748 113.1 51.2 -70.6 -22.2 16.0 20.3 12.0 86 94 A S T 3X S+ 0 0 12 -4,-1.6 4,-3.6 -5,-0.2 3,-0.4 0.269 78.1 108.1 -94.8 8.7 18.1 22.0 14.7 87 95 A A T <4 S+ 0 0 58 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.859 78.5 45.6 -57.2 -41.3 17.9 19.0 17.2 88 96 A L T 4 S+ 0 0 101 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.776 131.1 18.7 -77.3 -27.3 21.6 18.0 16.8 89 97 A T T 4 S- 0 0 108 -3,-0.4 -2,-0.2 -4,-0.1 -1,-0.1 0.650 99.1-127.0-117.6 -23.6 23.0 21.5 17.1 90 98 A G < - 0 0 11 -4,-3.6 -3,-0.1 -7,-0.2 99,-0.1 0.238 30.7 -78.8 83.6 146.9 20.5 23.8 18.7 91 99 A I - 0 0 10 97,-0.5 5,-0.1 1,-0.1 100,-0.0 -0.722 63.0-101.3 -74.3 124.3 19.1 27.2 17.6 92 100 A P >> - 0 0 83 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.193 28.0-118.1 -50.1 139.8 21.8 29.7 18.5 93 101 A L H 3> S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.863 111.4 56.2 -48.3 -48.7 21.0 31.7 21.6 94 102 A P H 3> S+ 0 0 66 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.863 110.1 46.8 -56.8 -36.5 20.9 35.1 19.9 95 103 A L H <> S+ 0 0 7 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.883 110.1 51.9 -70.8 -40.2 18.3 33.8 17.4 96 104 A I H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.934 111.7 48.3 -57.0 -45.6 16.2 32.2 20.3 97 105 A K H X S+ 0 0 16 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.876 110.3 51.1 -66.9 -40.2 16.3 35.6 22.0 98 106 A S H X S+ 0 0 3 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.919 111.1 47.8 -56.5 -48.9 15.3 37.4 18.8 99 107 A Y H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.912 112.6 48.3 -63.4 -44.1 12.3 35.1 18.3 100 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.895 111.3 51.0 -63.4 -42.5 11.2 35.4 22.0 101 109 A F H X S+ 0 0 56 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.903 113.9 43.7 -59.6 -45.1 11.5 39.2 21.8 102 110 A Q H X S+ 0 0 16 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.882 112.6 52.1 -70.5 -37.3 9.4 39.3 18.6 103 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.907 108.4 51.5 -67.9 -40.6 6.8 36.9 20.0 104 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.854 106.2 54.5 -62.8 -38.0 6.4 39.0 23.1 105 113 A Q H X S+ 0 0 62 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.900 109.2 48.9 -58.9 -41.4 5.8 42.1 20.9 106 114 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.882 112.7 46.7 -68.7 -40.7 3.0 40.1 19.2 107 115 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.921 110.1 52.9 -63.8 -45.3 1.5 39.1 22.5 108 116 A A H X S+ 0 0 20 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.892 110.6 48.8 -62.0 -38.9 1.7 42.6 24.0 109 117 A F H X S+ 0 0 42 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.974 115.0 41.9 -63.3 -54.9 -0.1 43.9 20.9 110 118 A C H ><>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 3,-0.6 0.905 115.3 50.3 -61.3 -42.7 -2.9 41.3 21.0 111 119 A H H ><5S+ 0 0 26 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.830 102.6 60.4 -66.4 -35.5 -3.3 41.5 24.8 112 120 A S H 3<5S+ 0 0 88 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.794 107.4 46.9 -59.1 -29.7 -3.5 45.3 24.6 113 121 A H T <<5S- 0 0 108 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.237 122.1-111.4 -94.9 13.3 -6.6 44.8 22.5 114 122 A R T < 5S+ 0 0 83 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.764 75.3 134.9 64.0 28.4 -7.9 42.2 24.9 115 123 A V < - 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