==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAR-10 2X8E . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.READ,J.BREED,H.HAYE,E.MCCALL,S.ROWSELL,A.VALLENTINE, A.W . 259 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 16.6 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 23 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 0 1 0 0 1 0 0 1 0 0 0 1 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 . 4 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 0 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 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 9 A W 0 0 130 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 148.6 12.3 -3.9 33.5 2 10 A D E -A 19 0A 73 17,-1.5 17,-1.8 0, 0.0 2,-0.5 -0.999 360.0-113.5-140.1 140.8 9.7 -6.6 33.8 3 11 A L E +A 18 0A 73 -2,-0.3 15,-0.3 15,-0.2 3,-0.1 -0.581 31.2 174.2 -87.4 116.2 7.6 -8.3 31.1 4 12 A V E - 0 0 75 13,-1.6 2,-0.2 -2,-0.5 -1,-0.2 0.977 59.7 -16.0 -85.4 -65.1 3.8 -7.6 31.3 5 13 A Q E - 0 0 113 12,-0.4 12,-1.6 0, 0.0 2,-0.6 -0.736 68.0 -97.7-133.7-175.2 2.1 -9.1 28.2 6 14 A T E -A 16 0A 88 10,-0.2 10,-0.2 -2,-0.2 3,-0.2 -0.905 33.0-178.4-117.4 108.4 3.0 -10.5 24.8 7 15 A L E - 0 0 59 8,-0.9 9,-0.2 -2,-0.6 -1,-0.1 0.780 62.7 -15.7 -82.7 -37.9 2.5 -8.0 21.9 8 16 A G E +A 15 0A 36 7,-1.7 7,-1.5 0, 0.0 -1,-0.2 -0.491 60.9 175.6-176.6 99.4 3.4 -9.7 18.6 9 17 A E + 0 0 65 5,-0.2 2,-0.3 -3,-0.2 5,-0.2 0.344 21.0 130.4 -83.6-147.5 5.3 -12.9 18.0 10 18 A G S S- 0 0 74 3,-0.3 -1,-0.1 1,-0.2 4,-0.1 -0.705 76.8 -34.6 142.0 -81.9 6.0 -14.7 14.7 11 19 A A S S+ 0 0 91 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.463 124.4 52.5-137.7 -72.2 9.5 -15.8 13.8 12 20 A Y S S- 0 0 113 -3,-0.1 21,-0.4 20,-0.1 2,-0.3 0.765 121.0 -91.0 -49.9 -29.3 12.5 -13.5 14.9 13 21 A G - 0 0 20 19,-0.2 -3,-0.3 -5,-0.1 2,-0.3 -0.877 58.1 -49.9 164.6-118.0 10.9 -13.8 18.4 14 22 A E E - B 0 31A 72 17,-0.5 17,-1.6 -2,-0.3 2,-0.6 -0.961 27.4-139.4-146.8 137.8 8.3 -11.7 20.2 15 23 A V E -AB 8 30A 39 -7,-1.5 -7,-1.7 -2,-0.3 -8,-0.9 -0.895 36.4-172.1 -82.9 123.2 7.9 -8.1 20.9 16 24 A Q E -AB 6 29A 38 13,-1.7 13,-2.2 -2,-0.6 2,-0.3 -0.917 25.2-114.4-115.3 149.1 6.7 -8.2 24.5 17 25 A L E - 0 0 14 -12,-1.6 -13,-1.6 -2,-0.3 2,-0.4 -0.631 34.1-172.4 -77.6 138.5 5.4 -5.3 26.6 18 26 A A E -A 3 0A 1 -2,-0.3 9,-2.2 -15,-0.3 2,-0.4 -0.972 8.8-166.8-137.4 120.9 7.6 -4.5 29.6 19 27 A V E -AC 2 26A 40 -17,-1.8 -17,-1.5 -2,-0.4 2,-0.3 -0.886 24.3-125.1-102.6 137.5 6.9 -2.0 32.3 20 28 A N > - 0 0 25 5,-3.0 4,-0.7 -2,-0.4 5,-0.4 -0.638 17.0-133.0 -80.8 141.5 9.6 -0.8 34.6 21 29 A R T 4 S+ 0 0 170 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.926 92.8 12.4 -61.6 -51.2 8.8 -1.4 38.3 22 30 A V T 4 S+ 0 0 127 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.867 117.3 61.8 -99.3 -43.1 9.8 2.0 39.8 23 31 A T T 4 S- 0 0 82 2,-0.1 -2,-0.1 1,-0.1 -1,-0.1 0.662 92.2-128.8 -69.7 -18.8 10.3 4.5 36.9 24 32 A E < + 0 0 93 -4,-0.7 2,-0.3 1,-0.3 -3,-0.1 0.980 64.3 125.2 64.4 58.6 6.7 4.4 35.5 25 33 A E - 0 0 36 -5,-0.4 -5,-3.0 2,-0.0 2,-0.4 -0.986 41.2-164.7-144.3 137.7 7.8 3.8 31.9 26 34 A A B +C 19 0A 37 -2,-0.3 50,-0.4 -7,-0.3 2,-0.3 -0.995 16.8 162.7-122.9 130.9 6.7 1.0 29.6 27 35 A V - 0 0 21 -9,-2.2 48,-0.2 -2,-0.4 -11,-0.1 -0.908 37.3-102.5-155.2 130.3 8.6 0.2 26.4 28 36 A A - 0 0 6 46,-0.4 46,-2.3 -2,-0.3 2,-0.4 0.158 24.9-153.3 -55.7 157.6 8.5 -2.9 24.1 29 37 A V E -BD 16 73A 8 -13,-2.2 -13,-1.7 44,-0.2 2,-0.3 -0.918 3.7-152.4-139.5 105.7 11.2 -5.6 24.0 30 38 A K E -BD 15 72A 9 42,-2.2 42,-2.0 -2,-0.4 2,-0.5 -0.609 15.6-153.4 -74.4 138.5 12.0 -7.8 20.9 31 39 A I E -BD 14 71A 35 -17,-1.6 2,-0.6 -2,-0.3 -17,-0.5 -0.940 12.8-175.6-123.9 108.8 13.4 -11.2 22.0 32 40 A V E - D 0 70A 6 38,-2.5 38,-1.3 -2,-0.5 2,-0.8 -0.908 13.7-162.4-117.0 114.3 15.7 -13.0 19.5 33 41 A D E - D 0 69A 99 -2,-0.6 36,-0.2 -21,-0.4 35,-0.1 -0.828 14.7-150.5 -93.9 109.8 17.1 -16.5 20.2 34 42 A M + 0 0 42 34,-2.2 2,-0.9 -2,-0.8 -1,-0.1 0.573 61.6 115.4 -65.5 -14.2 20.0 -16.8 17.7 35 43 A K 0 0 79 33,-0.2 -2,-0.1 3,-0.1 -1,-0.0 -0.435 360.0 360.0 -60.3 99.0 19.7 -20.6 17.3 36 44 A R 0 0 115 -2,-0.9 -2,-0.0 0, 0.0 0, 0.0 -0.864 360.0 360.0-170.7 360.0 18.7 -20.6 13.6 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 48 A C >> 0 0 54 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -38.1 20.9 -15.1 12.6 39 49 A P H 3> + 0 0 81 0, 0.0 4,-0.8 0, 0.0 -4,-0.0 0.872 360.0 47.3 -62.0 -35.5 23.8 -13.5 14.6 40 50 A E H 34 S+ 0 0 87 1,-0.2 4,-0.2 2,-0.2 0, 0.0 0.661 114.4 48.9 -76.6 -19.1 25.0 -11.6 11.6 41 51 A N H <> S+ 0 0 103 -3,-0.5 4,-1.3 2,-0.2 3,-0.4 0.796 104.8 54.9 -83.3 -39.6 21.4 -10.4 10.8 42 52 A I H X S+ 0 0 11 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.769 105.3 54.1 -71.9 -26.0 20.5 -9.2 14.3 43 53 A K H X S+ 0 0 56 -4,-0.8 4,-2.0 -5,-0.2 -1,-0.2 0.698 103.8 57.4 -78.1 -21.4 23.6 -6.9 14.4 44 54 A K H > S+ 0 0 86 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.839 103.6 51.7 -76.1 -36.1 22.4 -5.3 11.1 45 55 A E H X S+ 0 0 12 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.840 112.8 45.2 -67.7 -35.2 19.1 -4.3 12.6 46 56 A I H X S+ 0 0 16 -4,-1.0 4,-2.8 2,-0.2 5,-0.2 0.903 110.9 53.6 -71.4 -46.7 20.9 -2.7 15.5 47 57 A C H >X S+ 0 0 74 -4,-2.0 4,-1.0 1,-0.2 3,-0.5 0.985 115.9 39.8 -45.9 -66.7 23.3 -1.0 13.1 48 58 A I H 3X S+ 0 0 1 -4,-2.6 4,-0.5 1,-0.2 3,-0.3 0.807 113.7 53.9 -59.8 -35.3 20.4 0.4 11.1 49 59 A N H >< S+ 0 0 4 -4,-2.0 3,-1.3 1,-0.2 11,-0.3 0.900 102.3 57.8 -65.6 -40.0 18.3 1.2 14.3 50 60 A K H << S+ 0 0 169 -4,-2.8 -1,-0.2 -3,-0.5 -2,-0.2 0.756 103.6 56.0 -60.2 -28.0 21.2 3.3 15.9 51 61 A M H 3< S+ 0 0 86 -4,-1.0 2,-0.3 -3,-0.3 -1,-0.3 0.723 93.8 89.0 -68.3 -26.3 21.1 5.5 12.7 52 62 A L << + 0 0 15 -3,-1.3 8,-0.4 -4,-0.5 2,-0.1 -0.598 35.9 153.0 -96.2 140.1 17.4 6.3 13.0 53 63 A N + 0 0 114 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.613 25.3 129.1-161.1 92.8 15.7 9.2 14.8 54 64 A H > - 0 0 26 3,-0.4 3,-1.9 -2,-0.1 5,-0.1 -1.000 60.7-122.7-155.4 147.8 12.3 10.5 13.6 55 65 A E T 3 S+ 0 0 131 -2,-0.3 52,-0.1 1,-0.3 4,-0.1 0.674 115.0 46.5 -64.7 -20.4 8.8 11.3 14.8 56 66 A N T 3 S+ 0 0 17 50,-0.2 80,-1.5 79,-0.1 2,-0.4 -0.021 102.1 76.9-110.2 26.2 7.3 8.8 12.3 57 67 A V B < S-f 136 0B 3 -3,-1.9 2,-0.6 78,-0.3 -3,-0.4 -0.998 92.0-103.6-136.6 135.0 9.7 5.9 13.0 58 68 A V - 0 0 6 78,-2.9 80,-0.1 -2,-0.4 -6,-0.1 -0.402 46.9-124.8 -59.9 103.8 9.7 3.6 16.0 59 69 A K - 0 0 62 -2,-0.6 16,-2.6 -5,-0.1 2,-0.3 -0.065 16.0-139.2 -52.7 146.9 12.5 4.9 18.3 60 70 A F E +E 74 0A 36 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.847 21.4 175.6-104.7 147.2 15.3 2.5 19.4 61 71 A Y E - 0 0 123 12,-2.8 2,-0.3 1,-0.4 13,-0.1 0.745 50.5 -58.1-118.6 -51.2 16.7 2.7 23.0 62 72 A G E -E 73 0A 18 11,-0.8 11,-3.1 2,-0.0 -1,-0.4 -0.966 40.1-127.0-175.6-174.5 19.3 -0.1 23.6 63 73 A H E -E 72 0A 76 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.979 3.0-155.1-155.6 147.6 20.0 -3.8 23.6 64 74 A R E -E 71 0A 126 7,-1.3 7,-0.5 -2,-0.3 2,-0.2 -0.893 9.2-155.1-128.4 103.8 21.3 -6.5 26.0 65 75 A R E +E 70 0A 61 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.547 18.7 175.2 -62.9 135.6 22.9 -9.7 24.6 66 76 A E E > -E 69 0A 119 3,-3.1 3,-1.2 1,-0.4 2,-0.2 -0.628 57.8 -57.4-150.6 84.5 22.5 -12.4 27.2 67 77 A G T 3 S- 0 0 71 1,-0.2 -1,-0.4 -2,-0.2 0, 0.0 -0.570 121.1 -15.0 72.2-142.1 23.7 -15.9 26.1 68 78 A N T 3 S+ 0 0 57 -2,-0.2 -34,-2.2 -3,-0.1 2,-0.3 0.611 123.6 94.5 -62.4 -11.5 21.8 -17.0 23.0 69 79 A I E < -DE 33 66A 18 -3,-1.2 -3,-3.1 -36,-0.2 2,-0.4 -0.657 53.4-169.3 -97.0 140.3 19.3 -14.2 23.7 70 80 A Q E -DE 32 65A 13 -38,-1.3 -38,-2.5 -2,-0.3 2,-0.5 -0.988 5.6-159.7-126.1 131.9 19.2 -10.7 22.3 71 81 A Y E -DE 31 64A 67 -7,-0.5 -7,-1.3 -2,-0.4 2,-0.6 -0.956 1.1-165.3-117.7 117.4 16.9 -7.9 23.6 72 82 A L E -DE 30 63A 0 -42,-2.0 -42,-2.2 -2,-0.5 2,-0.7 -0.901 14.7-145.6-101.7 116.2 16.1 -4.9 21.4 73 83 A F E +DE 29 62A 20 -11,-3.1 -12,-2.8 -2,-0.6 -11,-0.8 -0.740 28.0 178.2 -88.9 113.5 14.5 -2.1 23.4 74 84 A L E - E 0 60A 18 -46,-2.3 -46,-0.4 -2,-0.7 -14,-0.2 -0.928 35.7 -91.2-128.7 135.0 12.0 -0.3 21.2 75 85 A E - 0 0 28 -16,-2.6 2,-0.4 -2,-0.4 -48,-0.1 -0.057 44.9-121.9 -38.6 128.8 9.5 2.6 21.6 76 86 A Y - 0 0 66 -50,-0.4 2,-0.7 -48,-0.1 -1,-0.1 -0.695 19.0-159.9 -84.0 128.9 6.1 1.4 22.7 77 87 A C > - 0 0 10 -2,-0.4 3,-1.7 1,-0.1 51,-0.4 -0.834 6.1-172.7-113.8 92.7 3.2 2.3 20.4 78 88 A S T 3 S+ 0 0 57 -2,-0.7 51,-0.2 1,-0.3 -1,-0.1 0.536 74.7 69.5 -78.8 -7.2 0.1 2.0 22.5 79 89 A G T 3 S- 0 0 16 49,-1.8 -1,-0.3 1,-0.2 50,-0.2 0.370 95.2-142.8 -83.2 2.1 -2.4 2.5 19.6 80 90 A G < - 0 0 33 -3,-1.7 48,-1.3 48,-0.5 -1,-0.2 -0.235 41.4 -22.1 72.0-157.4 -1.5 -0.9 18.1 81 91 A E B -G 127 0B 58 46,-0.2 3,-0.3 1,-0.1 46,-0.2 -0.463 43.1-132.8 -88.5 157.5 -1.3 -1.7 14.4 82 92 A L S > S+ 0 0 1 44,-1.4 3,-0.7 41,-1.0 42,-0.2 0.508 104.9 74.9 -80.2 -9.0 -2.8 0.2 11.5 83 93 A F G > S+ 0 0 101 40,-0.5 3,-1.0 1,-0.2 -1,-0.2 0.858 91.2 53.1 -65.0 -39.4 -3.8 -3.4 10.4 84 94 A D G 3 S+ 0 0 115 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.280 102.9 58.0 -84.5 6.7 -6.5 -3.4 13.1 85 95 A R G < S+ 0 0 89 -3,-0.7 2,-0.6 2,-0.0 -1,-0.2 0.182 83.0 91.5-118.9 13.8 -8.1 -0.1 11.9 86 96 A I S < S- 0 0 28 -3,-1.0 6,-0.2 6,-0.1 105,-0.1 -0.966 70.6-147.0-106.9 119.0 -8.8 -1.3 8.4 87 97 A E B >> -I 91 0C 116 4,-2.2 4,-2.9 -2,-0.6 3,-1.9 -0.728 29.2 -98.3 -89.2 130.3 -12.3 -2.7 8.2 88 98 A P T 34 S- 0 0 94 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.153 101.2 -6.4 -59.7 146.0 -12.8 -5.6 5.7 89 99 A D T 34 S+ 0 0 92 105,-1.7 105,-0.2 1,-0.2 106,-0.1 0.439 137.0 61.2 33.1 13.7 -14.3 -4.6 2.4 90 100 A I T <4 S- 0 0 115 -3,-1.9 2,-0.7 104,-0.2 104,-0.2 0.675 72.4-176.0-113.4 -60.3 -14.8 -1.1 3.9 91 101 A G B < -I 87 0C 3 -4,-2.9 -4,-2.2 102,-0.2 101,-0.2 -0.855 41.5 -60.9 102.4-111.4 -11.4 0.3 4.8 92 102 A M - 0 0 26 -2,-0.7 5,-0.1 99,-0.7 -6,-0.1 -0.982 60.4 -61.1-165.4 167.0 -11.6 3.7 6.6 93 103 A P >> - 0 0 78 0, 0.0 4,-2.4 0, 0.0 3,-1.0 -0.299 47.3-126.4 -55.3 131.7 -12.8 7.3 6.3 94 104 A E H 3> S+ 0 0 44 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.843 109.5 55.3 -52.3 -41.2 -11.0 9.1 3.5 95 105 A P H 3> S+ 0 0 46 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.832 109.9 46.4 -61.4 -34.5 -9.8 11.9 5.8 96 106 A D H <> S+ 0 0 71 -3,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.870 111.0 53.4 -70.3 -37.9 -8.2 9.3 8.2 97 107 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -3,-0.2 0.930 111.1 45.7 -57.3 -47.9 -6.6 7.6 5.2 98 108 A Q H X S+ 0 0 26 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.913 108.2 54.6 -65.8 -49.5 -5.0 10.8 4.0 99 109 A R H X S+ 0 0 80 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.830 111.9 46.3 -51.5 -38.1 -3.7 11.9 7.4 100 110 A F H X S+ 0 0 6 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.844 107.9 55.0 -77.2 -38.1 -1.9 8.5 7.7 101 111 A F H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.943 107.8 50.9 -59.7 -45.8 -0.5 8.6 4.2 102 112 A H H X S+ 0 0 60 -4,-2.3 4,-1.3 1,-0.3 -2,-0.2 0.967 112.7 44.1 -55.9 -58.0 1.1 12.0 4.9 103 113 A Q H X S+ 0 0 31 -4,-1.6 4,-0.7 1,-0.2 -1,-0.3 0.746 113.7 53.7 -57.3 -28.0 2.7 10.8 8.1 104 114 A L H X S+ 0 0 2 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.856 107.1 49.7 -74.9 -38.9 3.7 7.6 6.1 105 115 A M H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.671 108.4 54.2 -69.0 -19.4 5.4 9.8 3.4 106 116 A A H X S+ 0 0 34 -4,-1.3 4,-0.8 -5,-0.2 -1,-0.2 0.732 108.2 49.0 -84.8 -25.8 7.3 11.7 6.1 107 117 A G H X S+ 0 0 0 -4,-0.7 4,-1.8 -3,-0.2 -2,-0.2 0.905 117.7 39.1 -78.7 -44.4 8.7 8.5 7.6 108 118 A V H X S+ 0 0 1 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.861 110.6 57.9 -76.8 -39.5 9.9 7.1 4.3 109 119 A V H X S+ 0 0 51 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.889 111.2 46.1 -52.3 -37.1 11.1 10.5 2.9 110 120 A Y H X S+ 0 0 51 -4,-0.8 4,-1.4 2,-0.2 -2,-0.2 0.914 112.1 48.6 -75.1 -44.1 13.3 10.5 6.0 111 121 A L H ><>S+ 0 0 0 -4,-1.8 5,-2.3 1,-0.2 3,-0.8 0.963 112.4 48.5 -55.7 -54.4 14.5 6.9 5.6 112 122 A H H ><5S+ 0 0 11 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.887 107.1 57.7 -58.8 -37.4 15.3 7.4 2.0 113 123 A G H 3<5S+ 0 0 54 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.807 110.8 40.9 -65.3 -30.9 17.2 10.6 2.9 114 124 A I T <<5S- 0 0 59 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.068 124.0-105.0-102.7 24.3 19.6 8.8 5.3 115 125 A G T < 5S+ 0 0 1 -3,-1.6 30,-1.4 1,-0.2 31,-1.1 0.624 76.6 128.6 68.6 19.8 19.8 5.9 2.8 116 126 A I E < -J 144 0D 0 -5,-2.3 2,-0.4 28,-0.2 -1,-0.2 -0.769 37.4-164.9 -97.1 151.5 17.7 3.3 4.5 117 127 A T E -J 143 0D 0 26,-1.4 26,-1.3 -2,-0.3 60,-0.1 -0.975 13.9-151.1-131.3 119.9 14.8 1.3 2.8 118 128 A H - 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