==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-OCT-08 3EZV . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.KIEFER,J.E.DAY,N.L.CASPERS,K.J.MATHIS,K.K.KRETZMER, . 277 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 64.6 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 14.4 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 . 17 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 27.1 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 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 . 0 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 41 0, 0.0 3,-1.4 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -20.8 -13.5 32.3 -2.8 2 2 A E T 3 + 0 0 147 1,-0.3 22,-0.1 3,-0.0 0, 0.0 0.592 360.0 75.7 -69.5 -9.2 -13.3 31.7 -6.6 3 3 A N T 3 S+ 0 0 66 20,-0.1 21,-1.8 21,-0.1 22,-0.5 0.326 90.3 70.3 -82.0 7.2 -10.9 34.6 -6.2 4 4 A F E < -A 23 0A 23 -3,-1.4 2,-0.5 19,-0.2 19,-0.2 -0.987 59.8-160.1-136.4 136.3 -8.3 32.2 -4.8 5 5 A Q E -A 22 0A 100 17,-2.5 17,-2.6 -2,-0.4 2,-0.3 -0.958 25.2-131.7-111.4 121.8 -6.2 29.4 -6.2 6 6 A K E -A 21 0A 135 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.533 23.1-179.1 -76.7 134.7 -4.9 26.9 -3.6 7 7 A V E - 0 0 67 13,-3.8 2,-0.3 1,-0.4 14,-0.2 0.832 62.5 -24.3-100.9 -47.9 -1.2 26.2 -4.0 8 8 A E E -A 20 0A 113 12,-1.6 12,-3.0 0, 0.0 2,-0.5 -0.956 65.2 -95.2-166.1 153.2 -0.6 23.7 -1.3 9 9 A K E +A 19 0A 107 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.593 38.1 177.0 -73.3 120.3 -1.9 22.4 2.0 10 10 A I E - 0 0 80 8,-2.8 2,-0.3 -2,-0.5 9,-0.2 0.771 57.4 -6.5 -94.3 -37.8 0.0 24.2 4.8 11 11 A G E -A 18 0A 25 7,-2.1 7,-2.9 2,-0.0 2,-0.4 -0.991 49.3-146.8-159.3 158.5 -1.6 23.0 8.0 12 12 A E E +A 17 0A 149 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.999 25.0 163.1-133.5 136.3 -4.5 21.0 9.5 13 13 A G - 0 0 49 3,-2.7 -2,-0.0 -2,-0.4 5,-0.0 -0.585 51.6 -98.0-132.0-164.7 -6.3 21.7 12.8 14 14 A T S S+ 0 0 133 -2,-0.2 3,-0.1 1,-0.0 131,-0.0 0.388 122.1 44.1-101.4 -2.3 -9.4 20.8 14.6 15 15 A Y S S- 0 0 157 1,-0.3 21,-1.4 20,-0.0 2,-0.2 0.792 127.2 -43.9 -99.9 -56.9 -11.1 24.1 13.5 16 16 A G E - B 0 35A 13 19,-0.2 -3,-2.7 20,-0.1 -1,-0.3 -0.719 57.3 -86.4-150.8-159.3 -10.1 24.1 9.9 17 17 A V E -AB 12 34A 24 17,-1.5 17,-3.0 -5,-0.2 2,-0.5 -0.939 29.9-140.7-125.5 149.8 -7.4 23.6 7.3 18 18 A V E -AB 11 33A 22 -7,-2.9 -8,-2.8 -2,-0.3 -7,-2.1 -0.951 18.5-176.4-118.2 130.1 -4.8 26.1 6.1 19 19 A Y E -AB 9 32A 33 13,-2.7 13,-3.8 -2,-0.5 2,-0.5 -0.924 29.9-125.7-120.4 146.8 -3.6 26.5 2.5 20 20 A K E +AB 8 31A 49 -12,-3.0 -13,-3.8 -2,-0.4 -12,-1.6 -0.809 49.0 170.6 -79.6 128.9 -1.0 28.6 0.7 21 21 A A E -AB 6 30A 0 9,-2.5 9,-2.7 -2,-0.5 2,-0.4 -0.939 32.4-129.1-141.0 159.0 -3.1 30.2 -2.0 22 22 A R E -AB 5 29A 99 -17,-2.6 -17,-2.5 -2,-0.3 2,-0.8 -0.960 21.8-127.4-113.8 133.2 -2.8 33.0 -4.6 23 23 A N E > -A 4 0A 21 5,-3.0 4,-2.2 -2,-0.4 -19,-0.2 -0.686 15.4-149.7 -74.0 110.0 -5.3 35.7 -5.0 24 24 A K T 4 S+ 0 0 128 -21,-1.8 -1,-0.2 -2,-0.8 -20,-0.1 0.585 95.1 32.9 -59.3 -6.8 -6.2 35.5 -8.7 25 25 A L T 4 S+ 0 0 139 -22,-0.5 -1,-0.1 3,-0.1 -21,-0.1 0.778 121.7 37.7-113.6 -74.9 -6.8 39.2 -8.4 26 26 A T T 4 S- 0 0 91 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.767 94.3-138.1 -51.5 -27.7 -4.5 41.0 -5.9 27 27 A G < + 0 0 44 -4,-2.2 -1,-0.1 1,-0.3 -3,-0.1 0.270 56.0 139.8 82.3 -11.5 -1.8 38.6 -7.1 28 28 A E - 0 0 108 -6,-0.1 -5,-3.0 1,-0.1 2,-0.5 -0.227 54.4-130.8 -69.7 152.5 -0.7 38.1 -3.5 29 29 A V E +B 22 0A 43 -7,-0.2 47,-0.6 -3,-0.1 2,-0.3 -0.900 40.8 166.4-100.3 131.4 0.3 34.9 -2.0 30 30 A V E -BC 21 75A 3 -9,-2.7 -9,-2.5 -2,-0.5 2,-0.6 -0.843 42.1-106.3-139.8 170.3 -1.6 34.4 1.3 31 31 A A E -BC 20 74A 13 43,-2.7 43,-3.4 -2,-0.3 2,-0.6 -0.946 35.9-159.4-104.9 121.3 -2.4 31.8 3.9 32 32 A L E -BC 19 73A 6 -13,-3.8 -13,-2.7 -2,-0.6 2,-0.6 -0.902 3.7-161.4-110.8 115.3 -6.0 30.8 3.6 33 33 A K E -BC 18 72A 22 39,-3.2 39,-2.5 -2,-0.6 2,-0.8 -0.871 5.2-155.2 -98.7 121.0 -7.8 29.2 6.5 34 34 A K E -BC 17 71A 45 -17,-3.0 -17,-1.5 -2,-0.6 2,-0.5 -0.850 8.1-157.7 -97.8 106.7 -11.0 27.2 5.7 35 35 A I E BC 16 70A 37 35,-3.6 35,-1.8 -2,-0.8 -19,-0.2 -0.735 360.0 360.0 -86.7 126.0 -13.2 27.1 8.8 36 36 A R 0 0 96 -21,-1.4 -1,-0.1 -2,-0.5 -20,-0.1 0.306 360.0 360.0-127.7 360.0 -15.7 24.2 8.6 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 44 A V 0 0 97 0, 0.0 5,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 148.7 -22.0 29.7 12.1 39 45 A P > - 0 0 80 0, 0.0 4,-1.0 0, 0.0 0, 0.0 0.056 360.0-150.2 -41.3 134.0 -22.4 32.0 15.1 40 46 A S H > S+ 0 0 57 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.797 99.9 60.7 -73.4 -31.5 -23.0 35.7 14.4 41 47 A T H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.812 103.7 50.3 -65.4 -30.3 -21.2 36.5 17.6 42 48 A A H > S+ 0 0 23 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.815 103.2 59.3 -76.2 -32.6 -18.1 34.8 16.1 43 49 A I H X S+ 0 0 58 -4,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.890 112.1 40.3 -59.7 -38.6 -18.5 36.9 13.0 44 50 A R H X S+ 0 0 157 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.822 111.9 55.9 -81.5 -32.7 -18.2 40.0 15.2 45 51 A E H X S+ 0 0 73 -4,-1.8 4,-0.9 2,-0.2 3,-0.4 0.926 113.7 41.0 -60.8 -46.1 -15.4 38.4 17.3 46 52 A I H >X S+ 0 0 11 -4,-2.8 4,-1.2 1,-0.2 3,-0.6 0.891 107.0 62.2 -69.6 -40.8 -13.4 37.8 14.2 47 53 A S H 3< S+ 0 0 48 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.748 104.4 51.3 -56.5 -23.4 -14.3 41.2 12.8 48 54 A L H >X S+ 0 0 119 -4,-0.9 3,-1.0 -3,-0.4 4,-0.8 0.789 99.6 60.3 -86.8 -29.1 -12.5 42.6 15.8 49 55 A L H << S+ 0 0 40 -4,-0.9 11,-0.3 -3,-0.6 -2,-0.2 0.763 93.5 68.9 -67.9 -22.9 -9.3 40.6 15.3 50 56 A K T 3< S+ 0 0 72 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.784 100.9 45.4 -66.0 -28.6 -9.0 42.4 11.9 51 57 A E T <4 S+ 0 0 132 -3,-1.0 2,-2.5 -4,-0.3 -1,-0.2 0.699 85.9 95.5 -85.7 -22.1 -8.3 45.7 13.6 52 58 A L < + 0 0 18 -4,-0.8 2,-0.4 -3,-0.2 8,-0.2 -0.455 60.6 166.7 -72.7 77.8 -5.8 44.1 16.0 53 59 A N + 0 0 77 -2,-2.5 5,-0.1 6,-0.1 -3,-0.0 -0.846 5.1 146.6-107.8 131.7 -2.9 45.0 13.8 54 60 A H > - 0 0 44 3,-0.5 3,-2.3 -2,-0.4 54,-0.0 -0.976 55.5-112.3-162.2 145.1 0.8 44.8 15.0 55 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.737 118.5 46.4 -54.7 -24.8 4.2 44.1 13.5 56 62 A N T 3 S+ 0 0 10 80,-0.1 81,-3.1 48,-0.1 2,-0.4 0.171 98.7 79.8-110.3 17.3 4.4 40.9 15.6 57 63 A I B < S-e 137 0B 10 -3,-2.3 -3,-0.5 79,-0.3 81,-0.2 -0.995 89.0-112.9-121.9 128.5 0.9 39.6 14.9 58 64 A V - 0 0 11 79,-2.9 2,-0.2 -2,-0.4 -2,-0.1 -0.391 43.7-110.3 -61.6 127.2 0.2 37.8 11.6 59 65 A K - 0 0 102 -2,-0.1 16,-2.6 -4,-0.1 2,-0.9 -0.395 14.2-144.6 -70.8 127.8 -2.1 40.1 9.6 60 66 A L E -D 74 0A 13 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.838 22.5-178.9 -82.4 106.2 -5.7 39.1 9.0 61 67 A L E - 0 0 52 12,-2.3 2,-0.3 -2,-0.9 13,-0.2 0.905 58.5 -11.4 -77.4 -44.0 -6.1 40.5 5.5 62 68 A D E -D 73 0A 87 11,-1.6 11,-3.0 -3,-0.1 2,-0.5 -0.994 50.9-140.0-157.6 154.1 -9.7 39.6 5.0 63 69 A V E -D 72 0A 36 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.981 19.4-165.7-117.8 126.3 -12.6 37.6 6.3 64 70 A I E -D 71 0A 37 7,-3.5 7,-2.9 -2,-0.5 2,-0.7 -0.923 5.6-175.6-120.8 110.9 -14.8 35.8 3.8 65 71 A H E +D 70 0A 86 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.890 19.1 151.4-107.0 107.7 -18.2 34.4 4.9 66 72 A T E > -D 69 0A 44 3,-1.6 3,-1.9 -2,-0.7 -2,-0.1 -0.999 59.2 -38.0-137.8 134.3 -20.0 32.5 2.2 67 73 A E T 3 S- 0 0 157 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.149 118.2 -25.2 51.8-142.4 -22.5 29.7 2.6 68 74 A N T 3 S+ 0 0 139 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.069 122.7 85.4 -91.4 24.2 -21.7 27.2 5.4 69 75 A K E < - D 0 66A 56 -3,-1.9 -3,-1.6 -31,-0.0 2,-0.4 -0.950 58.4-158.5-125.3 149.0 -18.0 28.1 5.2 70 76 A L E -CD 35 65A 17 -35,-1.8 -35,-3.6 -2,-0.4 2,-0.4 -0.995 11.2-166.1-122.5 127.5 -15.8 30.7 6.7 71 77 A Y E -CD 34 64A 23 -7,-2.9 -7,-3.5 -2,-0.4 2,-0.5 -0.955 4.0-163.1-115.6 133.0 -12.5 31.6 5.1 72 78 A L E -CD 33 63A 13 -39,-2.5 -39,-3.2 -2,-0.4 2,-0.7 -0.970 8.4-153.2-114.5 126.0 -9.8 33.7 6.8 73 79 A V E -CD 32 62A 3 -11,-3.0 -12,-2.3 -2,-0.5 -11,-1.6 -0.882 20.1-176.3-105.0 117.3 -7.1 35.2 4.6 74 80 A F E -CD 31 60A 48 -43,-3.4 -43,-2.7 -2,-0.7 -14,-0.2 -0.785 34.9 -94.3-112.7 152.6 -3.8 35.8 6.4 75 81 A E E -C 30 0A 47 -16,-2.6 2,-0.4 -2,-0.3 -45,-0.2 -0.396 49.0-123.3 -50.8 133.6 -0.5 37.3 5.5 76 82 A F - 0 0 42 -47,-0.6 2,-0.3 -2,-0.1 -47,-0.1 -0.769 28.1-175.1 -91.3 131.5 1.8 34.5 4.4 77 83 A L - 0 0 15 -2,-0.4 53,-0.1 53,-0.1 3,-0.1 -0.898 25.3-129.9-121.3 160.9 5.1 33.8 6.1 78 84 A H S S+ 0 0 105 51,-0.5 2,-0.3 -2,-0.3 52,-0.1 0.643 75.9 18.8 -94.3 -13.7 7.7 31.3 5.0 79 85 A Q E -F 129 0B 14 50,-1.0 50,-2.8 198,-0.0 2,-0.3 -0.999 60.3-131.8-154.3 151.7 8.5 29.2 8.1 80 86 A D E > -F 128 0B 47 -2,-0.3 4,-2.0 48,-0.2 48,-0.2 -0.701 30.1-117.3 -99.4 156.8 7.4 28.3 11.6 81 87 A L H > S+ 0 0 0 46,-3.0 4,-3.1 43,-0.9 5,-0.2 0.829 112.6 61.7 -60.4 -35.0 9.6 28.4 14.7 82 88 A K H > S+ 0 0 42 42,-1.1 4,-2.7 45,-0.3 -1,-0.2 0.945 106.2 44.0 -56.1 -49.7 9.2 24.6 15.1 83 89 A K H > S+ 0 0 116 -3,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.922 114.3 50.4 -63.7 -41.7 10.8 23.9 11.8 84 90 A F H X S+ 0 0 9 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.907 110.5 49.2 -64.1 -42.4 13.5 26.5 12.5 85 91 A M H < S+ 0 0 20 -4,-3.1 4,-0.3 2,-0.2 3,-0.3 0.916 112.1 49.0 -58.5 -46.9 14.2 24.9 15.9 86 92 A D H >< S+ 0 0 102 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.932 112.2 48.4 -59.5 -44.8 14.3 21.5 14.3 87 93 A A H 3< S+ 0 0 75 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.720 115.5 44.3 -68.6 -22.2 16.8 22.8 11.7 88 94 A S T >X S+ 0 0 14 -4,-1.3 4,-4.3 -3,-0.3 3,-0.6 0.326 81.0 111.1-101.4 6.7 18.9 24.5 14.4 89 95 A A T <4 S+ 0 0 42 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.722 77.0 44.8 -60.7 -27.3 18.9 21.4 16.7 90 96 A L T 34 S+ 0 0 168 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.789 128.4 25.7 -90.8 -26.9 22.5 20.5 16.3 91 97 A T T <4 S- 0 0 114 -3,-0.6 -2,-0.2 -4,-0.1 -1,-0.1 0.755 103.5-133.2-101.0 -34.3 24.0 23.9 16.7 92 98 A G < - 0 0 15 -4,-4.3 -3,-0.1 -7,-0.2 86,-0.1 0.139 31.5 -73.7 87.1 147.7 21.3 25.6 18.7 93 99 A I - 0 0 16 84,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.634 59.9-106.8 -72.1 129.6 19.7 29.0 18.0 94 100 A P >> - 0 0 80 0, 0.0 4,-2.0 0, 0.0 3,-1.4 -0.326 26.5-118.3 -60.3 142.2 22.3 31.7 18.9 95 101 A L H 3> S+ 0 0 66 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.820 111.0 58.5 -50.3 -43.3 21.3 33.5 22.1 96 102 A P H 3> S+ 0 0 64 0, 0.0 4,-1.8 0, 0.0 175,-0.4 0.854 109.9 45.1 -58.7 -32.7 21.1 36.9 20.5 97 103 A L H <> S+ 0 0 7 -3,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.888 111.1 51.9 -78.7 -41.4 18.4 35.6 18.1 98 104 A I H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.919 111.6 48.7 -54.9 -45.0 16.6 33.8 20.9 99 105 A K H X S+ 0 0 11 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.917 110.8 49.8 -64.9 -43.3 16.5 37.1 22.8 100 106 A S H X S+ 0 0 5 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.907 112.3 46.9 -62.6 -45.9 15.3 39.0 19.8 101 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.911 113.5 48.6 -62.9 -44.9 12.5 36.5 19.1 102 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.942 112.6 48.4 -58.0 -50.1 11.5 36.5 22.8 103 109 A F H X S+ 0 0 49 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.924 112.0 48.5 -56.0 -48.4 11.5 40.3 22.9 104 110 A Q H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.868 111.2 50.5 -63.7 -37.0 9.4 40.6 19.8 105 111 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.903 107.8 52.5 -71.7 -36.3 6.9 38.1 21.0 106 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.827 108.6 52.3 -64.9 -29.8 6.5 40.0 24.3 107 113 A Q H X S+ 0 0 73 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.943 110.0 47.6 -69.2 -45.3 5.8 43.1 22.3 108 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.903 115.4 45.3 -59.5 -42.2 3.1 41.2 20.4 109 115 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.893 107.6 56.1 -72.2 -40.6 1.6 39.9 23.6 110 116 A A H X S+ 0 0 24 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.920 111.5 46.9 -55.6 -43.7 1.8 43.3 25.4 111 117 A F H X S+ 0 0 51 -4,-2.1 4,-1.1 2,-0.2 3,-0.5 0.977 114.7 43.8 -59.6 -60.4 -0.2 44.7 22.5 112 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 3,-1.3 0.937 115.1 49.5 -47.2 -56.0 -2.8 41.9 22.5 113 119 A H H ><5S+ 0 0 28 -4,-3.1 3,-1.6 1,-0.3 -1,-0.2 0.773 102.7 59.5 -61.9 -29.3 -3.1 41.9 26.2 114 120 A S H 3<5S+ 0 0 73 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.765 108.1 48.1 -73.3 -19.7 -3.6 45.7 26.4 115 121 A H T <<5S- 0 0 82 -3,-1.3 -1,-0.3 -4,-1.1 -2,-0.2 0.119 120.8-113.5-100.6 19.6 -6.6 45.0 24.2 116 122 A R T < 5S+ 0 0 197 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.789 72.0 140.1 53.7 30.6 -7.7 42.3 26.5 117 123 A V < - 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0 0 35 -5,-2.6 3,-0.4 -6,-0.2 -1,-0.3 -0.465 18.1-166.8 -63.3 128.2 -9.8 27.6 36.1 159 178 A K S S+ 0 0 175 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.841 77.2 44.1 -90.2 -33.7 -12.5 28.8 33.8 160 179 A Y S S+ 0 0 217 -6,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.476 80.5 166.4-113.3 61.2 -11.8 32.5 33.7 161 180 A Y - 0 0 69 -2,-0.5 2,-0.2 -3,-0.4 -2,-0.0 -0.066 22.3-126.8 -77.8 174.7 -8.1 32.5 33.2 162 181 A S > - 0 0 45 1,-0.0 3,-2.4 -42,-0.0 4,-0.3 -0.528 32.6 -83.4-121.1 178.8 -6.0 35.5 32.2 163 182 A T T >> S+ 0 0 49 1,-0.3 3,-1.4 -2,-0.2 4,-1.0 0.730 112.5 82.2 -52.1 -23.1 -3.4 36.9 29.9 164 183 A A H 3> S+ 0 0 7 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.727 76.2 69.4 -59.0 -20.6 -0.9 35.3 32.2 165 184 A V H <> S+ 0 0 1 -3,-2.4 4,-2.1 1,-0.2 -1,-0.3 0.894 96.8 51.6 -68.0 -33.4 -1.5 32.0 30.4 166 185 A D H <> S+ 0 0 0 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.882 106.6 53.3 -70.7 -37.1 0.3 33.3 27.3 167 186 A I H X S+ 0 0 2 -4,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.887 108.1 51.0 -62.7 -40.4 3.3 34.4 29.4 168 187 A W H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.968 110.7 48.2 -62.9 -49.9 3.5 30.8 30.8 169 188 A S H X S+ 0 0 4 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.902 111.6 49.5 -55.3 -45.8 3.4 29.4 27.2 170 189 A L H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.883 106.9 56.1 -65.7 -35.0 6.1 31.8 26.0 171 190 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 76,-0.2 -1,-0.2 0.926 107.7 48.8 -57.8 -45.5 8.3 30.9 29.0 172 191 A C H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 11,-0.3 0.871 112.3 48.1 -62.5 -36.3 8.1 27.2 28.0 173 192 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.902 109.1 53.8 -72.9 -40.8 9.0 28.2 24.4 174 193 A F H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 3,-0.3 0.950 109.8 47.9 -52.1 -54.7 11.9 30.3 25.7 175 194 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 6,-0.3 0.880 110.7 52.3 -51.9 -44.5 13.2 27.4 27.6 176 195 A E H X S+ 0 0 13 -4,-1.7 4,-1.9 1,-0.2 5,-0.3 0.846 106.0 52.0 -67.2 -36.3 12.9 25.1 24.6 177 196 A M H < S+ 0 0 4 -4,-2.0 -84,-0.6 -3,-0.3 -1,-0.2 0.892 114.3 45.2 -68.8 -36.0 14.8 27.4 22.3 178 197 A V H < S+ 0 0 19 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.862 124.5 28.6 -75.0 -40.0 17.7 27.5 24.8 179 198 A T H < S- 0 0 42 -4,-2.3 -2,-0.2 2,-0.3 -3,-0.2 0.630 95.1-129.3-100.7 -15.1 17.9 23.8 25.7 180 199 A R S < S+ 0 0 134 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.1 0.723 79.0 93.5 65.2 25.9 16.7 22.3 22.4 181 200 A R S S- 0 0 200 -6,-0.3 -2,-0.3 -5,-0.3 -1,-0.2 -0.994 86.6 -99.8-140.2 143.0 14.2 20.2 24.3 182 201 A A - 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0 0 6 -4,-2.1 24,-0.2 24,-0.4 -1,-0.2 0.215 45.0 -63.5 88.9 147.3 7.4 21.6 42.9 202 221 A T - 0 0 16 22,-2.2 24,-0.1 -4,-0.1 2,-0.1 -0.499 62.7-121.0 -63.1 124.1 3.9 20.7 43.8 203 222 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.388 38.5 172.5 -69.3 147.3 2.1 24.1 44.2 204 223 A D > - 0 0 70 -2,-0.1 4,-2.2 -3,-0.0 3,-0.3 -0.790 51.1 -80.4-140.8-175.5 0.5 24.8 47.6 205 224 A E T 4 S+ 0 0 81 -2,-0.2 6,-0.0 1,-0.2 0, 0.0 0.719 120.5 64.6 -64.8 -22.4 -1.2 27.7 49.4 206 225 A V T 4 S+ 0 0 123 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.956 117.1 22.2 -66.7 -51.4 2.2 29.2 50.2 207 226 A V T 4 S+ 0 0 79 -3,-0.3 44,-0.5 1,-0.2 -2,-0.2 0.703 137.3 32.3 -90.6 -18.6 3.3 29.9 46.7 208 227 A W S >< S- 0 0 11 -4,-2.2 3,-2.3 42,-0.1 4,-0.3 -0.695 77.1-150.8-143.2 82.6 -0.2 30.0 45.1 209 228 A P T 3 S+ 0 0 84 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.342 86.2 18.9 -56.7 128.9 -3.0 31.3 47.3 210 229 A G T > S+ 0 0 32 4,-0.0 3,-1.8 -2,-0.0 4,-0.1 0.249 86.5 119.3 96.3 -10.8 -6.3 29.7 46.3 211 230 A V G X + 0 0 0 -3,-2.3 3,-2.0 1,-0.3 6,-0.2 0.887 68.7 58.6 -56.9 -41.3 -4.7 26.8 44.4 212 231 A T G 3 S+ 0 0 61 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.524 103.9 53.0 -71.9 -4.6 -6.2 24.1 46.7 213 232 A S G < S+ 0 0 100 -3,-1.8 -1,-0.3 5,-0.1 -2,-0.2 0.215 79.2 121.5-115.0 14.3 -9.7 25.3 45.8 214 233 A M S X S- 0 0 31 -3,-2.0 3,-1.9 -4,-0.1 -57,-0.1 -0.556 77.4-107.5 -74.6 145.8 -9.3 25.1 42.1 215 234 A P T 3 S+ 0 0 87 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.767 114.2 29.8 -43.8 -47.0 -11.8 22.8 40.3 216 235 A D T 3 S+ 0 0 74 -60,-2.7 2,-0.2 2,-0.1 -59,-0.2 0.267 87.9 121.4-105.4 10.9 -9.4 20.0 39.4 217 236 A Y < - 0 0 31 -3,-1.9 3,-0.0 -61,-0.4 -5,-0.0 -0.573 45.0-162.9 -70.4 137.2 -7.0 20.3 42.3 218 237 A K > - 0 0 101 -2,-0.2 3,-2.3 1,-0.1 -5,-0.1 -0.992 23.8-144.7-124.5 127.2 -6.8 17.1 44.4 219 238 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.780 102.5 67.2 -55.0 -25.2 -5.4 16.9 47.9 220 239 A S T 3 S+ 0 0 102 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.448 70.7 125.1 -80.9 -0.8 -4.1 13.5 46.8 221 240 A F S < S- 0 0 10 -3,-2.3 -19,-0.0 1,-0.1 -4,-0.0 -0.345 73.2-104.9 -50.3 135.5 -1.7 15.1 44.3 222 241 A P - 0 0 52 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.360 29.3-125.3 -62.5 147.1 1.8 13.9 45.1 223 242 A K + 0 0 152 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.843 34.4 176.2 -98.9 103.2 4.1 16.4 46.8 224 243 A W - 0 0 78 -2,-0.8 -22,-2.2 -21,-0.0 2,-0.2 -0.795 27.5-119.8-102.3 151.7 7.3 16.9 44.9 225 244 A A - 0 0 86 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.1 -0.568 36.3 -95.8 -84.8 149.9 10.1 19.4 45.8 226 245 A R - 0 0 117 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.1 -0.424 39.1-129.1 -66.5 137.2 11.1 22.2 43.4 227 246 A Q - 0 0 72 -28,-2.9 2,-0.3 -2,-0.1 -1,-0.1 -0.463 32.5 -90.3 -81.1 158.4 14.1 21.4 41.3 228 247 A D >> - 0 0 108 1,-0.1 3,-1.3 -2,-0.1 4,-0.5 -0.547 30.4-139.7 -70.8 132.3 17.1 23.7 41.0 229 248 A F H >> S+ 0 0 27 -2,-0.3 4,-1.5 1,-0.3 3,-0.7 0.769 99.4 65.2 -68.9 -26.3 16.5 26.1 38.2 230 249 A S H 34 S+ 0 0 51 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.707 101.8 52.3 -69.3 -18.7 20.2 25.9 37.1 231 250 A K H <4 S+ 0 0 143 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.674 104.6 57.9 -84.0 -20.1 19.4 22.3 36.3 232 251 A V H << S+ 0 0 24 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.1 0.922 126.5 8.3 -84.7 -44.1 16.4 23.2 34.2 233 252 A V S >< S+ 0 0 0 -4,-1.5 3,-3.0 1,-0.2 -1,-0.2 -0.225 80.5 173.4-127.7 46.2 17.8 25.5 31.5 234 253 A P T 3 + 0 0 69 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.659 69.0 52.9 -31.7 -65.1 21.5 25.1 32.2 235 254 A P T 3 S+ 0 0 95 0, 0.0 -5,-0.0 0, 0.0 -56,-0.0 0.750 88.7 103.4 -47.2 -28.9 23.2 27.0 29.4 236 255 A L S < S- 0 0 6 -3,-3.0 -3,-0.1 1,-0.1 -61,-0.0 -0.212 72.3-121.7 -68.6 139.7 21.1 30.1 30.2 237 256 A D > - 0 0 62 1,-0.1 4,-2.7 4,-0.0 5,-0.3 -0.233 31.3 -98.1 -76.4 168.1 22.7 33.1 32.0 238 257 A E H > S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.794 122.4 53.0 -60.1 -34.3 21.4 34.5 35.3 239 258 A D H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.929 112.9 45.2 -66.7 -45.8 19.4 37.3 33.6 240 259 A G H > S+ 0 0 0 -3,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.926 114.4 47.8 -57.1 -50.8 17.7 34.8 31.3 241 260 A R H X S+ 0 0 46 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.895 110.4 53.1 -61.2 -41.3 17.0 32.4 34.2 242 261 A S H X S+ 0 0 47 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.955 112.3 43.7 -57.5 -51.7 15.7 35.2 36.3 243 262 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 3,-0.4 0.937 112.8 52.3 -60.9 -48.3 13.2 36.3 33.6 244 263 A L H >X S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.2 3,-0.5 0.921 105.8 54.2 -53.3 -47.2 12.2 32.7 32.9 245 264 A S H 3< S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.854 108.7 49.1 -58.7 -35.3 11.4 32.0 36.6 246 265 A Q H >< S+ 0 0 69 -4,-1.5 10,-2.5 -3,-0.4 3,-0.6 0.757 109.3 51.7 -76.0 -25.3 9.1 35.1 36.6 247 266 A M H << S+ 0 0 0 -4,-1.6 -76,-0.2 -3,-0.5 -2,-0.2 0.736 112.2 48.8 -78.7 -20.1 7.3 33.9 33.4 248 267 A L T 3< S+ 0 0 1 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.118 76.1 138.3-109.6 19.9 6.8 30.5 35.1 249 268 A H < - 0 0 68 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.441 52.7-137.5 -62.4 135.7 5.4 31.6 38.5 250 269 A Y S S+ 0 0 12 -2,-0.1 -97,-0.2 -50,-0.1 -1,-0.1 0.943 87.5 74.9 -57.2 -53.4 2.6 29.4 39.6 251 270 A D S >> S- 0 0 20 -44,-0.5 3,-2.3 1,-0.2 4,-2.1 -0.539 74.9-149.7 -69.5 112.7 0.4 32.2 40.8 252 271 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.736 98.7 55.3 -56.0 -21.8 -1.0 33.9 37.6 253 272 A N T 34 S+ 0 0 134 1,-0.2 -2,-0.1 -89,-0.0 -3,-0.0 0.608 110.5 43.3 -87.3 -12.8 -1.0 37.2 39.6 254 273 A K T <4 S+ 0 0 138 -3,-2.3 -1,-0.2 2,-0.1 3,-0.1 0.671 90.6 106.6 -97.1 -25.0 2.6 36.9 40.5 255 274 A R S < S- 0 0 12 -4,-2.1 -8,-0.2 -6,-0.2 -9,-0.1 -0.280 83.6-102.0 -56.7 136.2 3.5 35.8 36.9 256 275 A I - 0 0 20 -10,-2.5 -1,-0.1 -13,-0.2 2,-0.1 -0.249 33.0-124.0 -65.7 146.6 5.3 38.7 35.1 257 276 A S > - 0 0 61 1,-0.1 4,-1.8 -3,-0.1 5,-0.1 -0.396 20.3-115.3 -81.1 166.4 3.3 40.7 32.6 258 277 A A H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -148,-0.1 0.942 117.7 51.2 -65.4 -48.9 4.4 41.1 29.0 259 278 A K H > S+ 0 0 173 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.920 112.6 44.4 -52.9 -51.4 4.9 44.8 29.6 260 279 A A H >4 S+ 0 0 48 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.841 108.7 57.9 -64.4 -33.7 7.1 44.3 32.7 261 280 A A H >< S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.3 -1,-0.2 0.885 97.0 62.3 -66.9 -34.8 9.1 41.5 31.0 262 281 A L H 3< S+ 0 0 43 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.755 102.4 51.6 -62.1 -22.7 10.1 43.9 28.2 263 282 A A T << S+ 0 0 82 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.372 83.3 124.4 -92.9 2.4 11.9 46.0 30.9 264 283 A H S X S- 0 0 16 -3,-2.1 3,-2.3 -4,-0.1 4,-0.1 -0.353 73.5-118.7 -67.6 144.8 13.8 43.1 32.3 265 284 A P G > S+ 0 0 69 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.764 108.3 75.3 -51.8 -30.6 17.6 43.4 32.4 266 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.810 94.8 51.5 -51.6 -30.2 17.9 40.4 30.0 267 286 A F G X S+ 0 0 12 -3,-2.3 3,-1.3 -6,-0.2 -1,-0.3 0.317 76.7 101.2 -96.4 11.7 16.8 42.8 27.3 268 287 A Q T < S+ 0 0 163 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.866 93.9 32.6 -64.1 -36.3 19.4 45.5 27.9 269 288 A D T 3 S+ 0 0 108 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.062 87.4 148.2-108.7 24.0 21.6 44.2 25.0 270 289 A V < + 0 0 40 -3,-1.3 2,-0.2 -171,-0.1 -173,-0.1 -0.289 17.2 168.8 -62.6 141.8 18.8 43.0 22.8 271 290 A T - 0 0 85 -175,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.794 37.8-110.2-139.1-177.9 19.4 43.3 19.0 272 291 A K - 0 0 125 -2,-0.2 -175,-0.1 -172,-0.0 -138,-0.1 -0.723 36.1-178.3-123.2 82.0 17.7 42.0 15.8 273 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.253 27.3-119.5 -70.2 168.4 19.9 39.4 14.1 274 293 A V - 0 0 106 -141,-0.0 2,-0.1 3,-0.0 -142,-0.1 -0.930 26.1-133.6-105.4 135.5 18.8 37.9 10.9 275 294 A P - 0 0 14 0, 0.0 2,-0.9 0, 0.0 -142,-0.1 -0.446 15.4-117.9 -80.6 160.7 18.3 34.2 10.9 276 295 A H - 0 0 157 -2,-0.1 2,-0.5 2,-0.0 -145,-0.0 -0.877 39.5-172.4 -95.0 106.2 19.6 31.8 8.2 277 296 A L - 0 0 23 -2,-0.9 2,-0.8 -146,-0.1 -146,-0.0 -0.871 19.6-154.7-102.5 130.7 16.4 30.3 6.7 278 297 A R 0 0 211 -2,-0.5 -2,-0.0 1,-0.1 -191,-0.0 -0.919 360.0 360.0 -98.5 105.7 16.4 27.5 4.2 279 298 A L 0 0 141 -2,-0.8 -1,-0.1 -200,-0.0 -2,-0.0 0.634 360.0 360.0-101.5 360.0 13.2 28.0 2.3