==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-APR-07 2UZN . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.M.RICHARDSON,P.DOKURNO,J.B.MURRAY,A.E.SURGENOR . 279 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 65.9 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 . 40 14.3 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 . 1 0.4 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 . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 26.9 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 1 0 1 0 1 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 1 2 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 35 0, 0.0 3,-1.4 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 -14.4 -12.8 66.7 -2.5 2 2 A E T 3 + 0 0 180 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.698 360.0 63.8 -71.8 -16.0 -13.3 66.8 -6.2 3 3 A N T 3 S+ 0 0 60 21,-0.1 21,-1.0 20,-0.1 22,-0.5 0.057 96.8 78.5 -85.6 23.8 -10.7 69.7 -6.3 4 4 A F E < -A 23 0A 30 -3,-1.4 2,-0.6 19,-0.2 19,-0.2 -0.994 60.0-159.0-141.9 131.0 -8.0 67.3 -5.1 5 5 A Q E -A 22 0A 65 17,-2.0 17,-2.8 -2,-0.4 2,-0.6 -0.945 29.6-130.7-102.2 120.3 -5.9 64.6 -6.6 6 6 A K E -A 21 0A 64 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.627 23.9-175.5 -79.5 117.0 -4.6 62.3 -3.9 7 7 A V E - 0 0 57 13,-1.9 2,-0.2 -2,-0.6 14,-0.2 0.677 60.8 -23.8 -84.0 -23.1 -0.9 61.9 -4.4 8 8 A E E -A 20 0A 109 12,-1.2 12,-3.2 0, 0.0 2,-0.7 -0.805 61.6-101.9 169.2 135.6 -0.2 59.3 -1.7 9 9 A K E +A 19 0A 158 -2,-0.2 10,-0.2 10,-0.2 3,-0.1 -0.700 37.6 178.1 -80.4 113.1 -1.5 57.9 1.6 10 10 A I E - 0 0 66 8,-1.2 2,-0.3 -2,-0.7 9,-0.2 0.367 53.1 -32.6-105.2 6.4 0.7 59.5 4.2 11 11 A G E -A 18 0A 34 7,-0.9 7,-0.7 2,-0.0 2,-0.3 -0.988 49.1-119.3 165.3-173.3 -0.8 58.1 7.4 12 12 A E E +A 17 0A 175 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.969 23.3 167.4-158.6 154.2 -3.8 56.8 9.5 13 13 A G - 0 0 44 3,-0.7 -2,-0.0 -2,-0.3 4,-0.0 -0.710 47.4 -99.2-149.0-163.5 -5.6 57.8 12.7 14 14 A T S S+ 0 0 108 -2,-0.2 3,-0.1 3,-0.0 -1,-0.0 0.662 120.7 51.7-103.3 -27.4 -8.8 57.2 14.8 15 15 A Y S S- 0 0 49 1,-0.3 2,-0.3 -3,-0.0 129,-0.0 0.938 127.7 -72.4 -67.1 -47.8 -10.5 60.3 13.5 16 16 A G - 0 0 18 2,-0.0 -3,-0.7 0, 0.0 2,-0.3 -0.962 59.1 -50.5 176.4-167.4 -9.8 59.3 9.9 17 17 A V E -AB 12 34A 32 17,-1.1 17,-3.1 -2,-0.3 2,-0.4 -0.731 38.4-144.0-103.1 147.3 -7.2 58.9 7.1 18 18 A V E -AB 11 33A 25 -7,-0.7 -8,-1.2 -2,-0.3 -7,-0.9 -0.909 17.0-176.9-114.7 134.9 -4.5 61.4 5.8 19 19 A Y E -AB 9 32A 69 13,-2.3 13,-3.0 -2,-0.4 2,-0.3 -0.968 29.4-124.4-131.1 139.6 -3.4 61.8 2.2 20 20 A K E -AB 8 31A 50 -12,-3.2 -13,-1.9 -2,-0.3 -12,-1.2 -0.680 46.5-179.4 -73.4 145.3 -0.9 64.0 0.4 21 21 A A E -AB 6 30A 0 9,-1.6 9,-2.5 -2,-0.3 2,-0.5 -0.998 30.0-136.8-158.5 142.3 -2.8 65.8 -2.2 22 22 A R E -AB 5 29A 107 -17,-2.8 -17,-2.0 -2,-0.3 2,-0.8 -0.922 26.5-126.0-111.4 120.7 -2.5 68.3 -5.0 23 23 A N E > -A 4 0A 15 5,-2.3 4,-3.1 -2,-0.5 -19,-0.2 -0.507 10.2-149.6 -68.4 103.5 -5.0 71.1 -5.4 24 24 A K T 4 S+ 0 0 141 -21,-1.0 -1,-0.2 -2,-0.8 -20,-0.1 0.837 96.8 37.5 -39.1 -43.9 -6.4 71.0 -9.0 25 25 A L T 4 S+ 0 0 134 -22,-0.5 -1,-0.1 1,-0.1 -21,-0.0 0.972 128.3 23.8 -71.4 -81.6 -6.8 74.8 -8.7 26 26 A T T 4 S- 0 0 82 1,-0.1 -2,-0.2 2,-0.0 -1,-0.1 0.667 87.9-132.5 -63.8 -22.3 -3.9 76.3 -6.7 27 27 A G < + 0 0 40 -4,-3.1 -1,-0.1 1,-0.3 -3,-0.1 0.176 55.9 149.4 79.4 -17.2 -1.4 73.6 -7.3 28 28 A E - 0 0 90 -6,-0.1 -5,-2.3 -5,-0.1 2,-0.5 -0.057 48.5-129.3 -45.4 144.1 -0.6 73.6 -3.5 29 29 A V E +B 22 0A 67 -7,-0.2 45,-0.7 -3,-0.1 2,-0.3 -0.890 41.3 166.7-100.2 128.5 0.5 70.4 -1.9 30 30 A V E -BC 21 73A 1 -9,-2.5 -9,-1.6 -2,-0.5 2,-0.6 -0.825 39.5-112.8-133.8 167.0 -1.6 69.9 1.2 31 31 A A E -BC 20 72A 13 41,-2.8 41,-3.2 -2,-0.3 2,-0.6 -0.967 30.3-155.5-109.5 125.7 -2.5 67.2 3.7 32 32 A L E -BC 19 71A 5 -13,-3.0 -13,-2.3 -2,-0.6 2,-0.6 -0.907 5.5-165.0-101.2 113.8 -6.0 65.9 3.4 33 33 A K E -BC 18 70A 11 37,-2.5 37,-1.8 -2,-0.6 2,-0.7 -0.887 6.6-157.0 -95.0 116.5 -7.7 64.3 6.5 34 34 A K E BC 17 69A 63 -17,-3.1 -17,-1.1 -2,-0.6 35,-0.2 -0.863 360.0 360.0 -88.0 114.6 -10.9 62.4 5.6 35 35 A I 0 0 61 33,-2.5 -1,-0.2 -2,-0.7 34,-0.2 0.725 360.0 360.0-106.2 360.0 -13.0 62.2 8.8 36 ! 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 37 45 A P 0 0 147 0, 0.0 29,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.4 -22.0 66.2 13.3 38 46 A S > + 0 0 61 3,-0.0 4,-1.0 0, 0.0 5,-0.1 0.506 360.0 44.6-152.5 -46.2 -22.7 69.9 14.1 39 47 A T H > S+ 0 0 92 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.549 104.9 69.4 -90.0 -10.8 -20.8 71.5 17.0 40 48 A A H > S+ 0 0 7 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.863 98.3 51.2 -59.2 -42.0 -17.8 69.7 15.6 41 49 A I H > S+ 0 0 44 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.939 110.7 44.5 -66.4 -48.9 -18.1 72.2 12.7 42 50 A R H X S+ 0 0 176 -4,-1.0 4,-1.0 1,-0.2 -1,-0.2 0.786 117.6 47.7 -64.2 -28.2 -18.2 75.3 14.9 43 51 A E H X S+ 0 0 51 -4,-1.1 4,-0.5 2,-0.2 -2,-0.2 0.824 116.4 42.8 -80.9 -33.9 -15.3 73.9 16.9 44 52 A I H >X S+ 0 0 0 -4,-2.4 3,-1.2 2,-0.2 4,-1.1 0.936 112.2 52.3 -76.1 -45.0 -13.3 73.0 13.8 45 53 A S H 3< S+ 0 0 41 -4,-3.5 3,-0.2 1,-0.3 -2,-0.2 0.824 105.8 56.0 -62.6 -32.6 -14.0 76.3 12.0 46 54 A L H >< S+ 0 0 117 -4,-1.0 3,-0.7 -5,-0.2 -1,-0.3 0.680 101.5 56.7 -68.7 -22.1 -12.8 78.2 15.1 47 55 A L H X< S+ 0 0 11 -3,-1.2 3,-1.8 -4,-0.5 11,-0.3 0.723 91.4 72.3 -78.3 -25.8 -9.4 76.4 15.1 48 56 A K T 3< S+ 0 0 56 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.562 95.8 52.4 -59.4 -7.9 -9.1 77.7 11.6 49 57 A E T < S+ 0 0 142 -3,-0.7 2,-1.2 1,-0.1 -1,-0.3 0.394 85.5 94.0-112.5 1.6 -8.5 81.0 13.3 50 58 A L < + 0 0 13 -3,-1.8 2,-0.5 8,-0.0 8,-0.2 -0.716 56.8 166.7 -96.0 85.8 -5.8 79.6 15.5 51 59 A N + 0 0 74 -2,-1.2 5,-0.1 6,-0.1 -3,-0.0 -0.898 6.0 145.7-112.4 137.1 -2.8 80.5 13.5 52 60 A H > - 0 0 43 -2,-0.5 3,-1.7 3,-0.4 -2,-0.0 -0.943 56.1-113.2-161.0 144.2 0.8 80.4 14.7 53 61 A P T 3 S+ 0 0 96 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.657 118.2 51.0 -52.6 -20.3 4.2 79.5 13.1 54 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.4 2,-0.1 2,-0.4 0.422 95.0 79.2-108.3 6.7 4.3 76.4 15.4 55 63 A I B < S-e 135 0B 8 -3,-1.7 -3,-0.4 79,-0.3 2,-0.3 -0.924 90.4-112.3-109.9 128.8 0.8 75.0 14.6 56 64 A V - 0 0 9 79,-2.6 2,-0.3 -2,-0.4 82,-0.1 -0.518 47.2-114.7 -59.0 121.0 0.3 73.0 11.4 57 65 A K - 0 0 77 -2,-0.3 16,-2.7 -4,-0.1 2,-0.8 -0.507 13.7-139.9 -70.4 123.2 -2.0 75.5 9.6 58 66 A L E -D 72 0A 10 -2,-0.3 14,-0.3 -11,-0.3 3,-0.1 -0.763 22.2-175.5 -71.6 108.8 -5.6 74.3 8.9 59 67 A L E - 0 0 35 12,-1.9 2,-0.3 -2,-0.8 13,-0.2 0.835 59.2 -17.9 -78.4 -34.0 -6.0 75.7 5.4 60 68 A D E -D 71 0A 82 11,-1.6 11,-2.8 2,-0.0 2,-0.4 -0.955 49.0-139.4-174.4 148.7 -9.7 74.8 4.9 61 69 A V E -D 70 0A 28 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.988 21.0-158.9-121.4 126.6 -12.5 72.6 6.2 62 70 A I E -D 69 0A 42 7,-3.5 7,-1.1 -2,-0.4 2,-0.7 -0.932 3.1-164.7-119.2 117.3 -14.8 71.0 3.5 63 71 A H E +D 68 0A 107 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.864 30.6 131.8-106.5 110.0 -18.3 69.8 4.5 64 72 A T E > +D 67 0A 53 3,-2.2 3,-4.5 -2,-0.7 -2,-0.0 -0.988 62.5 6.0-150.2 154.8 -20.0 67.4 2.0 65 73 A E T 3 S- 0 0 165 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.674 121.7 -67.4 51.2 22.5 -21.9 64.1 1.8 66 74 A N T 3 S+ 0 0 163 1,-0.3 2,-0.4 -29,-0.0 -1,-0.3 0.802 116.3 115.3 54.4 30.1 -21.9 64.0 5.6 67 75 A K E < - D 0 64A 91 -3,-4.5 -3,-2.2 2,-0.0 2,-0.3 -0.937 55.7-150.1-117.5 149.1 -18.1 63.5 5.2 68 76 A L E - D 0 63A 18 -2,-0.4 -33,-2.5 -5,-0.2 2,-0.4 -0.907 10.1-170.2-120.7 148.9 -15.7 66.1 6.5 69 77 A Y E -CD 34 62A 16 -7,-1.1 -7,-3.5 -2,-0.3 2,-0.5 -0.994 7.2-161.2-142.0 133.7 -12.2 67.0 5.1 70 78 A L E -CD 33 61A 0 -37,-1.8 -37,-2.5 -2,-0.4 2,-0.7 -0.982 7.5-156.3-119.7 116.5 -9.6 69.2 6.6 71 79 A V E -CD 32 60A 5 -11,-2.8 -12,-1.9 -2,-0.5 -11,-1.6 -0.891 21.2-177.5 -91.7 112.8 -6.9 70.4 4.2 72 80 A F E -CD 31 58A 23 -41,-3.2 -41,-2.8 -2,-0.7 -14,-0.2 -0.733 36.0 -91.1-103.2 161.6 -3.8 71.3 6.2 73 81 A E E -C 30 0A 50 -16,-2.7 2,-0.5 -2,-0.3 -43,-0.2 -0.428 51.7-120.1 -61.8 147.3 -0.4 72.7 5.2 74 82 A F - 0 0 36 -45,-0.7 2,-0.4 -2,-0.1 -45,-0.1 -0.825 29.8-177.7-105.8 126.5 1.9 69.9 4.4 75 83 A L - 0 0 14 -2,-0.5 53,-0.1 1,-0.1 52,-0.0 -0.960 24.8-136.2-117.1 149.5 5.2 69.1 6.2 76 84 A H S S+ 0 0 101 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.737 76.0 31.4 -84.7 -27.5 7.3 66.2 5.0 77 85 A Q E -F 127 0B 5 50,-1.3 50,-2.3 4,-0.0 2,-0.2 -0.899 60.5-146.9-130.3 156.0 8.4 64.5 8.2 78 86 A D E > -F 126 0B 43 -2,-0.3 4,-1.7 48,-0.3 48,-0.2 -0.738 33.4-108.2-111.3 172.1 7.1 63.9 11.7 79 87 A L H > S+ 0 0 0 46,-2.3 4,-1.8 43,-1.1 44,-0.2 0.804 113.2 56.5 -69.2 -32.3 9.2 63.6 14.9 80 88 A K H > S+ 0 0 80 42,-0.9 4,-1.9 2,-0.2 5,-0.2 0.943 108.7 46.7 -66.7 -50.9 8.8 59.9 15.4 81 89 A K H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 113.6 48.9 -51.8 -48.6 10.2 59.1 12.0 82 90 A F H X S+ 0 0 10 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.818 111.1 52.1 -60.8 -35.8 13.1 61.5 12.6 83 91 A M H < S+ 0 0 21 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.857 110.7 44.7 -70.7 -37.5 13.7 59.9 15.9 84 92 A D H >< S+ 0 0 95 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.883 111.9 55.8 -75.9 -38.4 13.9 56.4 14.5 85 93 A A H 3< S+ 0 0 58 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.775 112.5 40.8 -51.2 -39.8 16.1 57.8 11.8 86 94 A S T 3X S+ 0 0 26 -4,-1.3 4,-2.9 1,-0.2 -1,-0.2 -0.072 77.5 122.7-109.9 34.0 18.6 59.2 14.3 87 95 A A T <4 S+ 0 0 46 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.666 71.5 48.9 -71.0 -23.8 18.6 56.3 16.8 88 96 A L T 4 S+ 0 0 168 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.761 128.6 20.2 -96.6 -27.0 22.4 55.5 16.7 89 97 A T T 4 S- 0 0 119 -3,-0.1 -2,-0.2 3,-0.0 -3,-0.1 0.680 100.3-138.8-106.6 -23.5 23.6 59.1 17.2 90 98 A G < - 0 0 8 -4,-2.9 -3,-0.1 -7,-0.1 3,-0.1 0.511 37.4 -61.3 74.7 140.3 20.6 60.8 18.7 91 99 A I - 0 0 12 88,-0.3 5,-0.1 1,-0.1 -8,-0.0 -0.239 65.9-107.0 -51.6 128.5 19.3 64.2 17.9 92 100 A P >> - 0 0 74 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.321 27.6-117.7 -61.5 145.8 22.0 66.7 18.8 93 101 A L H 3> S+ 0 0 68 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.845 111.4 56.5 -61.2 -39.4 21.2 68.7 21.9 94 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.7 0, 0.0 179,-0.4 0.888 112.6 47.5 -59.6 -28.3 21.1 72.2 20.4 95 103 A L H <> S+ 0 0 9 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.904 109.7 49.9 -77.0 -38.9 18.5 70.7 18.1 96 104 A I H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.983 112.2 48.8 -58.6 -53.9 16.5 69.0 20.9 97 105 A K H X S+ 0 0 13 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.848 112.1 48.9 -53.5 -40.2 16.5 72.3 22.8 98 106 A S H X S+ 0 0 2 -4,-1.7 4,-2.6 -5,-0.3 5,-0.3 0.959 110.6 49.6 -64.1 -52.6 15.3 74.3 19.7 99 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.948 113.5 47.5 -48.0 -51.7 12.5 71.8 19.0 100 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.865 109.5 52.6 -60.3 -44.7 11.4 72.1 22.6 101 109 A F H X S+ 0 0 49 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.979 112.4 44.0 -57.1 -54.6 11.5 75.9 22.6 102 110 A Q H X S+ 0 0 13 -4,-2.6 4,-3.4 2,-0.2 -2,-0.2 0.878 112.1 52.5 -59.6 -45.4 9.3 76.2 19.5 103 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.922 110.9 47.7 -52.3 -48.8 6.8 73.5 20.7 104 112 A L H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 -1,-0.2 0.809 109.1 54.0 -64.6 -30.0 6.5 75.4 24.0 105 113 A Q H X S+ 0 0 73 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.991 109.9 48.6 -66.2 -53.9 6.0 78.6 21.9 106 114 A G H X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.892 115.4 42.8 -43.1 -54.4 3.2 76.8 20.1 107 115 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.910 106.4 60.7 -69.0 -41.8 1.6 75.6 23.3 108 116 A A H X S+ 0 0 11 -4,-3.4 4,-1.5 -5,-0.2 -1,-0.2 0.951 109.2 46.9 -46.3 -48.5 2.1 79.0 25.0 109 117 A F H X S+ 0 0 53 -4,-2.3 4,-1.2 1,-0.2 3,-0.3 0.939 114.9 41.3 -56.8 -58.3 -0.1 80.4 22.1 110 118 A C H <>S+ 0 0 0 -4,-2.0 5,-2.9 1,-0.2 3,-0.3 0.885 111.2 57.3 -60.4 -39.4 -3.0 77.8 22.2 111 119 A H H ><5S+ 0 0 30 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.839 98.8 60.3 -66.6 -34.1 -3.0 77.7 26.0 112 120 A S H 3<5S+ 0 0 92 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.912 107.6 45.7 -50.3 -48.1 -3.7 81.5 26.0 113 121 A H T 3<5S- 0 0 94 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.345 119.6-115.4 -80.5 9.5 -6.8 80.9 24.1 114 122 A R T < 5S+ 0 0 203 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.763 72.4 139.5 54.2 24.9 -7.6 78.0 26.5 115 123 A V < - 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0 0 32 -3,-1.1 3,-0.0 -61,-0.3 -61,-0.0 -0.695 46.0-166.9 -73.1 129.1 -7.5 56.3 42.5 220 237 A K > - 0 0 106 -2,-0.4 3,-1.8 1,-0.1 -2,-0.1 -0.980 24.4-141.5-116.7 132.7 -7.4 53.0 44.5 221 238 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.735 102.1 68.0 -57.1 -22.0 -5.8 53.0 48.0 222 239 A S T 3 + 0 0 103 -3,-0.0 3,-0.1 3,-0.0 -3,-0.0 0.428 66.5 124.7 -85.8 -1.8 -4.5 49.6 47.0 223 240 A F S < S- 0 0 11 -3,-1.8 -19,-0.0 1,-0.1 -4,-0.0 -0.360 73.8-104.4 -48.6 135.6 -2.1 51.0 44.3 224 241 A P - 0 0 53 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.164 32.2-120.3 -63.2 164.2 1.4 49.7 45.2 225 242 A K - 0 0 173 -3,-0.1 2,-0.4 -22,-0.1 -25,-0.0 -0.857 32.8-179.8-121.1 101.7 3.8 52.2 46.8 226 243 A W - 0 0 77 -2,-0.6 -22,-1.5 -27,-0.1 2,-0.1 -0.792 27.2-119.4-101.5 139.7 7.1 52.9 45.0 227 244 A A - 0 0 85 -2,-0.4 -24,-0.5 -24,-0.2 2,-0.0 -0.426 36.6-105.3 -62.2 144.1 9.8 55.2 46.0 228 245 A R B -H 202 0C 117 -26,-0.3 2,-0.3 -2,-0.1 -26,-0.3 -0.329 34.3-141.3 -57.0 151.1 10.7 58.0 43.7 229 246 A Q - 0 0 76 -28,-2.4 2,-0.3 -2,-0.0 -1,-0.0 -0.847 21.6 -96.9-113.3 161.4 13.9 57.6 41.6 230 247 A D >> - 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0 0 72 -3,-0.5 6,-0.2 1,-0.1 -3,-0.1 -0.455 50.5-141.3 -67.5 137.3 5.1 67.4 38.2 252 269 A Y S S+ 0 0 12 -2,-0.1 -97,-0.2 1,-0.1 -1,-0.1 0.958 85.4 75.4 -66.3 -44.7 2.1 65.3 39.5 253 270 A D S >> S- 0 0 18 -44,-0.4 3,-3.0 1,-0.2 4,-1.9 -0.533 73.6-152.0 -77.4 110.1 0.1 68.3 40.7 254 271 A P T 34 S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 -88,-0.1 0.722 97.0 54.0 -54.0 -25.7 -1.4 69.8 37.6 255 272 A N T 34 S+ 0 0 140 1,-0.2 -2,-0.1 -89,-0.0 -3,-0.0 0.566 111.3 43.3 -84.6 -10.1 -1.4 73.2 39.4 256 273 A K T <4 S+ 0 0 142 -3,-3.0 -1,-0.2 2,-0.1 3,-0.1 0.596 89.6 109.1-100.7 -21.3 2.3 72.9 40.3 257 274 A R S < S- 0 0 14 -4,-1.9 -8,-0.2 -6,-0.2 -9,-0.1 -0.281 82.3-100.1 -58.8 142.6 3.3 71.7 36.8 258 275 A I - 0 0 17 -10,-2.2 2,-0.3 -13,-0.2 -1,-0.1 -0.313 33.6-131.0 -66.7 142.2 5.2 74.4 34.8 259 276 A S > - 0 0 59 1,-0.1 4,-2.1 -3,-0.1 5,-0.3 -0.711 20.2-115.0 -91.0 153.0 3.2 76.3 32.3 260 277 A A H > S+ 0 0 2 -2,-0.3 4,-1.8 1,-0.2 3,-0.4 0.945 117.3 54.7 -52.4 -54.7 4.5 76.7 28.7 261 278 A K H > S+ 0 0 146 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.883 112.4 44.1 -41.9 -49.0 4.9 80.5 29.2 262 279 A A H >4 S+ 0 0 47 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.803 108.0 55.7 -72.3 -32.5 7.0 79.9 32.4 263 280 A A H >< S+ 0 0 0 -4,-2.1 3,-1.4 -3,-0.4 6,-0.3 0.782 97.3 66.8 -68.3 -29.5 9.2 77.1 30.9 264 281 A L H 3< S+ 0 0 24 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.860 99.8 49.6 -62.3 -30.7 10.1 79.6 28.2 265 282 A A T << S+ 0 0 87 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.397 85.5 120.4 -89.6 1.8 11.9 81.7 30.8 266 283 A H S X S- 0 0 19 -3,-1.4 3,-1.6 -4,-0.1 4,-0.1 -0.377 75.3-118.1 -65.8 144.6 13.9 78.8 32.2 267 284 A P G > S+ 0 0 58 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.610 106.6 76.5 -59.1 -17.0 17.7 78.9 32.1 268 285 A F G > S+ 0 0 1 -27,-0.3 3,-0.5 1,-0.2 -26,-0.1 0.883 97.0 46.3 -57.4 -39.0 17.8 75.8 29.8 269 286 A F G X S+ 0 0 11 -3,-1.6 3,-2.0 -6,-0.3 -1,-0.2 0.390 82.4 105.0 -87.8 7.5 16.7 78.0 26.9 270 287 A Q G < S+ 0 0 158 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.868 92.2 29.6 -57.1 -43.7 19.3 80.6 27.8 271 288 A D G < S+ 0 0 109 -3,-0.5 -1,-0.3 -4,-0.3 2,-0.1 -0.145 89.0 152.9-107.1 38.6 21.6 79.6 24.9 272 289 A V < + 0 0 41 -3,-2.0 2,-0.2 -175,-0.1 -3,-0.1 -0.449 15.1 172.3 -73.0 141.6 18.8 78.4 22.6 273 290 A T - 0 0 87 -179,-0.4 -1,-0.0 -2,-0.1 -2,-0.0 -0.499 35.7-112.9-127.3-165.3 19.6 78.6 18.8 274 291 A K + 0 0 130 -2,-0.2 -179,-0.1 -176,-0.0 2,-0.0 -0.464 38.5 173.5-140.3 70.9 17.9 77.4 15.6 275 292 A P - 0 0 39 0, 0.0 -2,-0.0 0, 0.0 -145,-0.0 -0.303 30.1-118.7 -72.0 160.5 19.9 74.7 14.0 276 293 A V - 0 0 98 1,-0.1 -146,-0.1 -2,-0.0 -147,-0.1 -0.828 27.4-117.1-105.4 140.4 18.6 72.8 10.9 277 294 A P - 0 0 12 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.175 12.3-124.1 -71.7 163.3 18.0 69.1 10.9 278 295 A H + 0 0 166 1,-0.2 -149,-0.0 -196,-0.1 -2,-0.0 -0.872 50.7 161.0-100.1 93.0 19.7 66.4 8.8 279 296 A L - 0 0 8 -2,-0.7 -1,-0.2 -150,-0.1 -194,-0.0 0.990 34.3-164.8 -86.3 -71.0 16.4 65.0 7.3 280 297 A R 0 0 206 1,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.976 360.0 360.0 65.9 62.9 16.3 62.8 4.1 281 298 A L 0 0 97 -204,-0.0 -1,-0.0 0, 0.0 -152,-0.0 0.308 360.0 360.0-113.3 360.0 12.5 63.3 3.7