==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-JAN-05 1YKR . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.HAMDOUCHI,B.ZHONG,J.MENDOZA,C.JARAMILLO,F.ZHANG,H.B.BROOKS . 298 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 61.4 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 . 36 12.1 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 . 0 0.0 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 . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 3 1 0 1 0 0 2 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 . 2 3 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 29 0, 0.0 3,-1.6 0, 0.0 69,-0.0 0.000 360.0 360.0 360.0 -29.2 -13.7 32.3 -2.5 2 2 A E T 3 + 0 0 138 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.641 360.0 75.7 -71.4 -11.9 -13.5 31.8 -6.3 3 3 A N T 3 S+ 0 0 61 20,-0.1 21,-3.2 21,-0.0 22,-0.4 0.501 89.5 71.3 -76.0 -5.0 -11.1 34.8 -6.0 4 4 A F E < -A 23 0A 19 -3,-1.6 2,-0.5 19,-0.2 19,-0.2 -0.916 62.8-158.9-120.4 144.1 -8.5 32.4 -4.6 5 5 A Q E -A 22 0A 98 17,-2.3 17,-2.3 -2,-0.4 2,-0.2 -0.967 21.5-134.9-120.0 113.4 -6.4 29.7 -6.2 6 6 A K + 0 0 109 -2,-0.5 15,-0.2 15,-0.3 3,-0.1 -0.471 23.0 178.9 -68.3 131.6 -5.0 27.1 -3.9 7 7 A V - 0 0 67 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.728 64.7 -17.8-103.6 -29.2 -1.3 26.3 -4.6 8 8 A E - 0 0 104 0, 0.0 12,-2.3 0, 0.0 2,-0.4 -0.891 60.8-107.8-175.9 144.4 -0.7 23.8 -1.8 9 9 A K E +C 19 0B 105 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.646 35.9 171.8 -76.8 125.5 -2.0 22.4 1.5 10 10 A I E + 0 0 76 8,-2.5 2,-0.3 -2,-0.4 9,-0.2 0.614 56.4 12.5-111.5 -17.4 0.4 23.6 4.2 11 11 A G E -C 18 0B 24 7,-1.8 7,-2.8 1,-0.1 -1,-0.3 -0.998 45.4-142.7-160.6 155.9 -1.4 22.6 7.4 12 12 A E - 0 0 71 -2,-0.3 147,-0.3 5,-0.2 148,-0.2 0.549 48.9-167.2 -92.5 -11.0 -4.2 20.6 9.0 13 13 A G - 0 0 26 1,-0.1 147,-0.3 2,-0.1 146,-0.2 0.308 33.2 -96.6 46.7 178.0 -4.8 23.4 11.5 14 14 A T S S+ 0 0 15 144,-0.1 -1,-0.1 145,-0.1 145,-0.1 0.647 122.2 33.3-101.3 -21.8 -6.9 23.0 14.7 15 15 A Y S S- 0 0 31 1,-0.3 21,-0.8 143,-0.1 2,-0.3 0.694 130.7 -52.4-104.0 -27.9 -10.1 24.5 13.1 16 16 A G E S- D 0 35B 3 19,-0.2 -1,-0.3 -4,-0.1 2,-0.2 -0.950 80.4 -30.0 179.3-161.7 -9.7 23.2 9.6 17 17 A V E - D 0 34B 19 17,-0.6 17,-2.9 -2,-0.3 2,-0.5 -0.495 44.9-148.9 -81.1 148.1 -7.4 23.0 6.6 18 18 A V E -CD 11 33B 29 -7,-2.8 -8,-2.5 15,-0.2 -7,-1.8 -0.975 18.6-174.4-121.9 119.5 -4.8 25.7 5.8 19 19 A Y E -CD 9 32B 45 13,-3.2 13,-2.6 -2,-0.5 2,-0.3 -0.693 29.5-134.3-111.6 160.8 -3.9 26.3 2.2 20 20 A K + 0 0 42 -12,-2.3 11,-0.2 -2,-0.2 -13,-0.2 -0.382 45.7 162.6-109.4 55.9 -1.4 28.5 0.5 21 21 A A - 0 0 0 -2,-0.3 9,-2.1 -15,-0.2 2,-0.4 -0.091 32.7-126.5 -69.7 169.9 -3.7 30.0 -2.2 22 22 A R E -AB 5 29A 106 -17,-2.3 -17,-2.3 7,-0.2 2,-0.6 -0.943 21.5-115.7-118.4 143.4 -3.0 33.1 -4.3 23 23 A N E > -A 4 0A 23 5,-3.1 4,-1.8 -2,-0.4 -19,-0.2 -0.678 18.8-155.7 -79.2 118.8 -5.4 36.1 -4.7 24 24 A K T 4 S+ 0 0 130 -21,-3.2 -1,-0.1 -2,-0.6 -20,-0.1 0.695 90.0 43.9 -68.7 -20.7 -6.5 36.3 -8.3 25 25 A L T 4 S+ 0 0 139 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.922 129.5 20.6 -88.8 -55.4 -7.3 40.0 -8.1 26 26 A T T 4 S- 0 0 104 2,-0.1 -2,-0.2 1,-0.0 -1,-0.0 0.738 94.9-132.3 -86.5 -26.1 -4.3 41.4 -6.2 27 27 A G < + 0 0 33 -4,-1.8 -3,-0.1 1,-0.3 2,-0.1 0.491 52.8 149.7 86.5 4.1 -2.0 38.5 -7.0 28 28 A E - 0 0 114 -6,-0.1 -5,-3.1 1,-0.1 2,-0.4 -0.341 46.9-128.5 -73.4 149.6 -0.8 38.2 -3.4 29 29 A V B +B 22 0A 30 -7,-0.2 53,-0.7 53,-0.1 2,-0.3 -0.838 41.6 165.5 -95.8 134.8 0.2 34.9 -1.8 30 30 A V E - E 0 81B 2 -9,-2.1 2,-0.6 -2,-0.4 51,-0.2 -0.844 42.4-104.1-142.8 177.1 -1.6 34.3 1.5 31 31 A A E - E 0 80B 16 49,-3.0 49,-3.0 -2,-0.3 2,-0.5 -0.950 35.0-159.7-111.5 110.7 -2.5 31.6 4.1 32 32 A L E -DE 19 79B 3 -13,-2.6 -13,-3.2 -2,-0.6 2,-0.6 -0.823 4.0-165.6 -96.9 121.5 -6.1 30.5 3.7 33 33 A K E -DE 18 78B 4 45,-2.8 45,-2.7 -2,-0.5 2,-0.7 -0.932 6.2-155.0-109.8 121.7 -7.7 28.8 6.7 34 34 A K E -DE 17 77B 27 -17,-2.9 2,-0.7 -2,-0.6 -17,-0.6 -0.859 5.0-165.0-100.6 109.4 -11.0 27.0 6.0 35 35 A I E -DE 16 76B 8 41,-3.1 41,-1.3 -2,-0.7 2,-0.2 -0.836 24.3-127.5 -94.1 112.3 -13.2 26.7 9.1 36 36 A R + 0 0 168 -21,-0.8 2,-0.3 -2,-0.7 39,-0.1 -0.404 44.3 150.1 -65.8 125.8 -15.8 24.1 8.5 37 37 A L - 0 0 18 -2,-0.2 7,-0.1 7,-0.1 39,-0.1 -0.945 33.9-135.0-157.4 134.0 -19.4 25.2 9.1 38 38 A D - 0 0 55 -2,-0.3 6,-0.5 5,-0.1 -1,-0.0 0.281 16.7-124.7 -71.9-157.3 -22.7 24.2 7.5 39 39 A T S S+ 0 0 54 4,-0.2 -1,-0.1 3,-0.1 35,-0.1 0.692 92.1 3.2-120.9 -48.3 -25.5 26.4 6.3 40 40 A E S S+ 0 0 164 1,-0.0 -2,-0.0 3,-0.0 34,-0.0 0.805 129.1 51.4-107.4 -59.6 -28.7 25.4 8.1 41 41 A T S S- 0 0 111 -4,-0.0 -3,-0.1 1,-0.0 -1,-0.0 0.493 143.0 -15.9 -60.1 -2.1 -27.9 22.6 10.5 42 42 A E S S- 0 0 128 -5,-0.1 -3,-0.1 2,-0.0 -5,-0.0 -0.077 70.5-178.9-159.1 -91.5 -25.2 25.1 11.7 43 43 A G - 0 0 12 31,-0.2 -4,-0.2 2,-0.1 3,-0.1 0.686 58.1 -62.0 72.4 120.5 -24.0 28.1 9.8 44 44 A V - 0 0 10 30,-0.5 -7,-0.1 -6,-0.5 -2,-0.0 0.016 63.5-110.7 -34.1 121.3 -21.2 30.3 11.4 45 45 A P > - 0 0 66 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 -0.324 15.1-131.2 -60.5 136.9 -22.5 31.7 14.7 46 46 A S H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.901 106.8 59.7 -55.4 -42.7 -23.1 35.5 14.6 47 47 A T H >> S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.947 105.4 45.4 -50.4 -57.8 -21.1 35.7 17.8 48 48 A A H 3> S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.854 108.0 60.7 -56.2 -36.4 -17.9 34.3 16.3 49 49 A I H 3X S+ 0 0 41 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.904 108.8 40.7 -58.7 -44.4 -18.5 36.6 13.3 50 50 A R H X S+ 0 0 53 -4,-2.1 3,-1.8 -5,-0.2 4,-0.9 0.985 110.7 43.8 -62.8 -58.2 -15.3 38.2 17.4 52 52 A I H >X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.3 3,-0.8 0.853 106.9 61.4 -54.3 -38.8 -13.3 37.6 14.3 53 53 A S H 3< S+ 0 0 51 -4,-1.6 4,-0.3 -5,-0.3 -1,-0.3 0.713 102.4 52.3 -63.4 -20.0 -14.3 41.0 13.0 54 54 A L H - 0 0 39 -2,-0.5 3,-2.4 3,-0.4 54,-0.0 -0.979 55.2-115.8-156.5 142.3 0.7 44.9 15.2 61 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.727 117.6 49.3 -54.5 -22.1 4.1 44.1 13.5 62 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.094 100.3 76.8-106.1 23.2 4.4 41.0 15.7 63 63 A I B < S-g 143 0C 8 -3,-2.4 -3,-0.4 79,-0.3 81,-0.2 -0.999 90.0-111.8-132.4 128.1 1.0 39.7 15.0 64 64 A V - 0 0 11 79,-3.0 2,-0.3 -2,-0.4 82,-0.2 -0.418 41.9-118.8 -59.9 126.4 0.1 37.9 11.7 65 65 A K - 0 0 82 -2,-0.2 16,-2.0 -4,-0.1 2,-1.0 -0.498 12.8-139.1 -71.5 132.5 -2.3 40.3 9.9 66 66 A L E -F 80 0B 7 -11,-0.3 14,-0.2 -2,-0.3 3,-0.1 -0.821 21.0-176.7 -93.7 104.2 -5.8 39.0 9.1 67 67 A L E - 0 0 49 12,-1.7 2,-0.3 -2,-1.0 -1,-0.2 0.935 58.4 -10.8 -68.1 -51.2 -6.4 40.3 5.6 68 68 A D E -F 79 0B 85 11,-1.4 11,-3.0 2,-0.0 2,-0.5 -0.992 44.5-145.1-153.9 160.4 -10.0 39.2 5.2 69 69 A V E -F 78 0B 35 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.951 20.1-167.4-128.1 108.5 -12.9 37.1 6.5 70 70 A I E +F 77 0B 29 7,-2.1 7,-2.6 -2,-0.5 -2,-0.0 -0.869 14.9 171.3-101.6 124.2 -15.1 35.5 3.9 71 71 A H >> + 0 0 66 -2,-0.5 4,-0.7 5,-0.2 3,-0.7 0.442 32.9 131.8-109.2 -2.9 -18.4 34.1 5.1 72 72 A T G >4 + 0 0 73 1,-0.2 3,-3.0 2,-0.2 -2,-0.0 0.166 64.7 31.1 -45.3 166.7 -20.0 33.4 1.7 73 73 A E G 34 S- 0 0 131 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 0.692 130.3 -79.3 52.1 18.4 -21.6 30.0 0.9 74 74 A N G <4 S+ 0 0 74 -3,-0.7 -30,-0.5 1,-0.2 -1,-0.3 0.794 107.0 116.2 61.1 28.9 -22.4 30.0 4.6 75 75 A K << - 0 0 18 -3,-3.0 2,-0.5 -4,-0.7 -1,-0.2 -0.770 64.0-120.1-121.5 168.5 -18.8 28.9 5.2 76 76 A L E +E 35 0B 1 -41,-1.3 -41,-3.1 -2,-0.3 2,-0.4 -0.930 28.0 172.0-120.3 117.6 -15.9 30.5 7.0 77 77 A Y E -EF 34 70B 17 -7,-2.6 -7,-2.1 -2,-0.5 2,-0.5 -0.968 14.6-158.7-121.1 132.8 -12.5 31.4 5.4 78 78 A L E -EF 33 69B 0 -45,-2.7 -45,-2.8 -2,-0.4 2,-0.7 -0.952 6.5-154.6-113.5 125.1 -9.8 33.4 7.1 79 79 A V E +EF 32 68B 2 -11,-3.0 -12,-1.7 -2,-0.5 -11,-1.4 -0.885 19.4 180.0-103.6 112.0 -7.2 35.0 4.9 80 80 A F E -EF 31 66B 23 -49,-3.0 -49,-3.0 -2,-0.7 -14,-0.2 -0.745 36.7 -95.9-111.1 155.9 -3.9 35.6 6.6 81 81 A E E -E 30 0B 50 -16,-2.0 2,-0.3 -2,-0.3 -51,-0.2 -0.493 52.5-114.8 -64.8 141.2 -0.6 37.2 5.5 82 82 A F - 0 0 40 -53,-0.7 2,-0.3 -2,-0.1 -1,-0.1 -0.580 31.8-175.2 -86.3 139.7 1.7 34.3 4.4 83 83 A L - 0 0 20 -2,-0.3 53,-0.1 1,-0.1 3,-0.1 -0.860 23.0-141.4-125.6 160.5 5.0 33.3 6.0 84 84 A H S S+ 0 0 107 51,-0.6 2,-0.3 -2,-0.3 52,-0.1 0.666 79.6 28.7 -98.3 -16.5 7.5 30.7 4.9 85 85 A Q E -H 135 0C 11 50,-1.0 50,-2.7 211,-0.0 2,-0.3 -0.997 57.3-152.1-148.2 145.6 8.5 29.2 8.2 86 86 A D E > -H 134 0C 48 -2,-0.3 4,-1.9 48,-0.2 48,-0.3 -0.738 38.1-108.5-106.0 164.0 7.1 28.6 11.7 87 87 A L H > S+ 0 0 0 46,-2.9 4,-3.0 43,-1.0 5,-0.2 0.778 114.7 61.5 -61.7 -29.9 9.3 28.4 14.8 88 88 A K H > S+ 0 0 89 42,-0.9 4,-2.4 45,-0.3 -1,-0.2 0.962 107.9 42.8 -62.0 -51.3 8.9 24.6 15.1 89 89 A K H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.904 114.6 51.9 -61.9 -39.1 10.5 24.0 11.7 90 90 A F H X S+ 0 0 9 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.925 110.1 47.3 -64.5 -43.1 13.2 26.6 12.5 91 91 A M H < S+ 0 0 21 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.897 111.1 52.5 -65.3 -37.9 14.0 24.9 15.8 92 92 A D H >< S+ 0 0 100 -4,-2.4 3,-0.9 1,-0.2 4,-0.2 0.907 110.8 46.9 -63.5 -40.1 14.1 21.5 14.2 93 93 A A H 3< S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.701 115.4 46.4 -73.2 -19.9 16.5 22.9 11.5 94 94 A S T 3X S+ 0 0 18 -4,-1.3 4,-3.2 -3,-0.2 -1,-0.2 0.273 80.6 107.0-104.0 9.1 18.7 24.5 14.3 95 95 A A T <4 S+ 0 0 45 -3,-0.9 -1,-0.1 -4,-0.3 -2,-0.1 0.831 74.7 53.6 -57.1 -38.5 18.7 21.4 16.5 96 96 A L T 4 S+ 0 0 156 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.899 129.2 13.6 -67.1 -43.4 22.3 20.5 15.9 97 97 A T T 4 S- 0 0 117 -3,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.628 105.8-127.5-107.3 -20.1 23.9 23.9 16.7 98 98 A G < - 0 0 9 -4,-3.2 -3,-0.1 -7,-0.2 99,-0.1 0.241 33.3 -67.5 84.4 148.3 21.0 25.6 18.5 99 99 A I - 0 0 13 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.541 63.2-103.5 -70.7 130.7 19.5 29.0 17.8 100 100 A P >> - 0 0 80 0, 0.0 4,-2.4 0, 0.0 3,-0.9 -0.268 25.1-121.5 -56.6 139.7 22.0 31.7 18.7 101 101 A L H 3> S+ 0 0 80 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.884 111.5 57.0 -49.0 -46.9 21.2 33.4 22.0 102 102 A P H 3> S+ 0 0 56 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.884 110.6 44.3 -55.7 -36.7 20.9 36.9 20.3 103 103 A L H <> S+ 0 0 6 -3,-0.9 4,-2.7 2,-0.2 5,-0.2 0.900 111.9 52.0 -74.3 -40.8 18.2 35.5 18.0 104 104 A I H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.935 112.2 47.0 -58.6 -46.2 16.4 33.7 20.8 105 105 A K H X S+ 0 0 9 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.888 111.0 51.7 -63.1 -41.1 16.4 36.9 22.8 106 106 A S H X S+ 0 0 1 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.934 111.9 45.7 -62.7 -46.4 15.2 38.9 19.8 107 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.927 113.5 49.4 -62.3 -46.0 12.3 36.5 19.2 108 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.930 112.3 48.9 -57.5 -46.8 11.3 36.5 22.9 109 109 A F H X S+ 0 0 56 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.933 112.6 46.6 -59.3 -49.5 11.4 40.3 23.0 110 110 A Q H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.916 111.8 50.5 -62.0 -43.2 9.3 40.6 19.9 111 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.858 108.7 52.1 -65.2 -34.8 6.7 38.1 21.1 112 112 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.846 108.6 51.7 -69.0 -32.3 6.5 39.9 24.4 113 113 A Q H X S+ 0 0 59 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.949 110.6 48.1 -65.9 -46.8 5.8 43.1 22.4 114 114 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.918 114.8 45.0 -58.6 -44.8 3.1 41.3 20.5 115 115 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.920 108.1 56.6 -66.9 -42.4 1.6 39.9 23.7 116 116 A A H X S+ 0 0 22 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.924 111.5 45.9 -54.0 -43.0 1.9 43.3 25.5 117 117 A F H X S+ 0 0 51 -4,-2.3 4,-0.9 2,-0.2 3,-0.4 0.973 115.4 42.8 -63.4 -58.9 -0.2 44.7 22.6 118 118 A C H ><>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 3,-1.5 0.944 115.2 51.0 -53.7 -50.5 -2.9 42.0 22.5 119 119 A H H ><5S+ 0 0 17 -4,-3.3 3,-1.6 1,-0.3 -1,-0.2 0.802 102.5 58.5 -59.3 -32.1 -3.1 41.9 26.3 120 120 A S H 3<5S+ 0 0 71 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.726 107.5 49.9 -70.4 -19.2 -3.5 45.7 26.5 121 121 A H T <<5S- 0 0 88 -3,-1.5 -1,-0.3 -4,-0.9 -2,-0.2 0.168 120.5-111.7-100.4 14.3 -6.6 45.1 24.3 122 122 A R T < 5S+ 0 0 189 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.837 76.9 132.0 59.5 34.7 -7.9 42.3 26.6 123 123 A V < - 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