==== 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 3EZR . 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, . 273 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 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 . 38 13.9 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 . 21 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 27.5 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 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 48 0, 0.0 3,-2.2 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -20.6 -13.3 32.1 -2.9 2 2 A E T 3 + 0 0 141 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.716 360.0 66.1 -62.8 -19.2 -13.2 32.3 -6.7 3 3 A N T 3 S+ 0 0 54 20,-0.1 21,-3.0 21,-0.1 22,-0.5 0.330 95.5 72.0 -79.0 5.4 -10.9 35.2 -5.9 4 4 A F E < -A 23 0A 20 -3,-2.2 2,-0.6 19,-0.2 19,-0.2 -0.988 63.2-159.0-131.0 128.7 -8.4 32.8 -4.4 5 5 A Q E -A 22 0A 104 17,-2.5 17,-2.4 -2,-0.4 2,-0.2 -0.920 23.0-135.1-102.8 114.1 -6.1 30.2 -6.1 6 6 A K E +A 21 0A 107 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.505 24.2 178.7 -71.4 132.1 -5.0 27.5 -3.7 7 7 A V E - 0 0 75 13,-3.5 2,-0.3 1,-0.4 14,-0.2 0.857 60.7 -29.1 -97.7 -53.7 -1.2 26.7 -4.0 8 8 A E E -A 20 0A 117 12,-1.5 12,-3.0 0, 0.0 2,-0.5 -0.981 64.0 -91.6-163.4 156.4 -0.7 24.0 -1.3 9 9 A K E -A 19 0A 105 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.625 35.3-179.4 -75.2 117.8 -2.0 22.8 2.0 10 10 A I E - 0 0 82 8,-2.6 2,-0.3 -2,-0.5 9,-0.2 0.853 58.8 -22.7 -84.1 -43.3 -0.0 24.4 4.8 11 11 A G E -A 18 0A 25 7,-2.1 7,-3.4 2,-0.0 2,-0.8 -0.994 45.8-117.7-164.5 162.3 -1.7 22.8 7.8 12 12 A E E -A 17 0A 154 -2,-0.3 5,-0.2 5,-0.2 7,-0.0 -0.867 51.0-163.8-106.2 90.1 -4.6 21.0 9.4 13 13 A G - 0 0 34 3,-1.5 4,-0.1 -2,-0.8 5,-0.0 0.207 32.5 -94.3 -68.3-171.7 -5.5 23.6 12.0 14 14 A T S S+ 0 0 92 1,-0.2 3,-0.1 3,-0.0 -1,-0.1 0.892 123.5 19.8 -71.2 -41.9 -7.6 23.4 15.2 15 15 A Y S S- 0 0 131 1,-0.3 21,-1.9 21,-0.1 2,-0.2 0.223 134.0 -23.0-115.5 10.5 -10.8 24.7 13.5 16 16 A G S S- 0 0 18 19,-0.2 -3,-1.5 20,-0.1 -1,-0.3 -0.846 76.4 -63.4 158.6 165.9 -10.0 24.1 9.8 17 17 A V E -A 12 0A 28 17,-0.5 17,-2.2 -2,-0.2 2,-0.5 -0.437 40.1-145.4 -77.0 145.8 -7.4 23.5 7.1 18 18 A V E -AB 11 33A 28 -7,-3.4 -8,-2.6 15,-0.2 -7,-2.1 -0.953 16.8-173.3-115.5 129.5 -4.9 26.2 6.1 19 19 A Y E -AB 9 32A 54 13,-2.9 13,-3.4 -2,-0.5 2,-0.5 -0.910 28.7-125.3-119.0 147.5 -3.7 26.7 2.5 20 20 A K E +AB 8 31A 45 -12,-3.0 -13,-3.5 -2,-0.3 -12,-1.5 -0.792 50.5 165.9 -78.4 130.6 -1.0 28.9 0.9 21 21 A A E -AB 6 30A 0 9,-2.6 9,-3.0 -2,-0.5 2,-0.5 -0.937 37.9-118.9-144.8 163.3 -3.0 30.7 -1.8 22 22 A R E -AB 5 29A 106 -17,-2.4 -17,-2.5 -2,-0.3 2,-0.7 -0.956 22.0-134.5-107.5 128.5 -2.9 33.7 -4.1 23 23 A N E > -A 4 0A 9 5,-3.3 4,-2.8 -2,-0.5 5,-0.3 -0.734 15.7-156.3 -74.3 112.2 -5.4 36.5 -3.8 24 24 A K T 4 S+ 0 0 126 -21,-3.0 -1,-0.2 -2,-0.7 -20,-0.1 0.728 87.5 52.6 -67.7 -23.6 -6.4 37.0 -7.5 25 25 A L T 4 S+ 0 0 132 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.938 125.9 20.3 -75.3 -49.7 -7.5 40.6 -6.9 26 26 A T T 4 S- 0 0 104 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.625 95.7-128.6 -95.5 -19.6 -4.3 41.9 -5.2 27 27 A G < + 0 0 35 -4,-2.8 -3,-0.2 1,-0.3 2,-0.1 0.478 58.8 146.4 81.3 4.1 -1.9 39.2 -6.5 28 28 A E - 0 0 111 -5,-0.3 -5,-3.3 -6,-0.1 2,-0.5 -0.444 51.7-127.3 -80.4 146.4 -0.7 38.7 -2.9 29 29 A V E +B 22 0A 33 -7,-0.2 47,-0.6 -2,-0.1 2,-0.3 -0.817 43.5 170.3 -89.8 126.6 0.4 35.3 -1.5 30 30 A V E -BC 21 75A 1 -9,-3.0 -9,-2.6 -2,-0.5 2,-0.6 -0.810 40.8-110.6-135.2 167.4 -1.6 34.7 1.6 31 31 A A E -BC 20 74A 13 43,-2.5 43,-3.3 -2,-0.3 2,-0.5 -0.953 35.9-160.7-103.1 120.6 -2.5 32.0 4.2 32 32 A L E -BC 19 73A 2 -13,-3.4 -13,-2.9 -2,-0.6 2,-0.5 -0.912 6.6-166.9-111.7 118.7 -6.1 31.0 3.8 33 33 A K E -BC 18 72A 10 39,-3.2 39,-2.7 -2,-0.5 2,-0.7 -0.926 7.5-155.9-104.7 122.8 -8.0 29.2 6.6 34 34 A K E - C 0 71A 43 -17,-2.2 -17,-0.5 -2,-0.5 2,-0.3 -0.892 15.6-147.1 -96.5 111.6 -11.3 27.6 5.8 35 35 A I E C 0 70A 32 35,-3.0 35,-0.7 -2,-0.7 -19,-0.2 -0.601 360.0 360.0 -78.7 136.2 -13.3 27.4 9.0 36 36 A R 0 0 108 -21,-1.9 -1,-0.2 -2,-0.3 -20,-0.1 0.876 360.0 360.0 -95.2 360.0 -15.6 24.4 9.3 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 76 0, 0.0 5,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 135.3 -21.5 30.0 11.2 39 45 A P > - 0 0 76 0, 0.0 4,-1.5 0, 0.0 0, 0.0 -0.165 360.0-142.7 -64.6 148.1 -22.4 32.1 14.3 40 46 A S H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.827 106.1 59.8 -72.9 -35.5 -23.0 35.9 14.2 41 47 A T H > S+ 0 0 99 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.809 104.7 52.0 -58.1 -32.0 -21.3 36.2 17.6 42 48 A A H > S+ 0 0 29 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.931 104.3 54.5 -69.0 -48.9 -18.3 34.7 15.7 43 49 A I H X S+ 0 0 40 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.903 110.9 45.4 -51.9 -47.9 -18.4 37.3 12.9 44 50 A R H X S+ 0 0 155 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.898 113.3 48.7 -67.3 -43.3 -18.2 40.2 15.3 45 51 A E H X S+ 0 0 108 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.909 116.5 42.3 -63.3 -45.2 -15.4 38.8 17.5 46 52 A I H X S+ 0 0 36 -4,-2.7 4,-0.8 1,-0.2 3,-0.3 0.871 108.1 60.4 -69.9 -37.7 -13.3 37.9 14.5 47 53 A S H < S+ 0 0 39 -4,-2.4 3,-0.4 -5,-0.3 4,-0.4 0.816 101.8 54.9 -59.2 -32.3 -14.1 41.3 12.8 48 54 A L H >X S+ 0 0 97 -4,-1.3 3,-1.7 1,-0.2 4,-0.6 0.889 99.0 60.6 -66.1 -41.0 -12.5 43.0 15.8 49 55 A L H 3< S+ 0 0 33 -4,-1.0 11,-0.3 1,-0.3 3,-0.2 0.673 89.5 70.9 -65.4 -19.0 -9.2 41.1 15.4 50 56 A K T 3< S+ 0 0 76 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.815 98.3 51.0 -60.7 -32.1 -8.8 42.6 11.9 51 57 A E T <4 S+ 0 0 149 -3,-1.7 2,-2.2 -4,-0.4 -1,-0.2 0.750 83.6 95.1 -77.7 -24.9 -8.1 45.9 13.7 52 58 A L < + 0 0 22 -4,-0.6 2,-0.4 -3,-0.2 -1,-0.1 -0.417 58.7 169.4 -72.8 76.9 -5.5 44.5 16.1 53 59 A N + 0 0 75 -2,-2.2 5,-0.1 6,-0.1 -3,-0.0 -0.792 7.0 142.6-104.5 130.7 -2.4 45.4 14.0 54 60 A H > - 0 0 42 3,-0.5 3,-2.2 -2,-0.4 54,-0.0 -0.966 56.2-112.5-162.6 143.4 1.2 45.1 15.2 55 61 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 53,-0.0 0.732 117.5 46.6 -55.6 -27.2 4.6 44.1 13.6 56 62 A N T 3 S+ 0 0 9 48,-0.1 81,-2.7 80,-0.1 2,-0.4 0.107 99.7 79.7-104.7 19.6 4.8 41.0 15.8 57 63 A I B < S-e 137 0B 10 -3,-2.2 -3,-0.5 79,-0.3 2,-0.2 -0.998 87.3-117.5-124.2 126.3 1.3 39.8 15.1 58 64 A V - 0 0 14 79,-2.7 2,-0.2 -2,-0.4 82,-0.1 -0.450 41.2-115.9 -62.4 125.2 0.4 38.0 11.9 59 65 A K - 0 0 71 -2,-0.2 16,-2.5 -4,-0.1 2,-0.8 -0.429 10.1-140.2 -73.2 134.8 -2.1 40.3 10.1 60 66 A L E +D 74 0A 12 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.865 26.2 178.9 -85.4 110.6 -5.6 39.2 9.4 61 67 A L E + 0 0 59 12,-2.2 2,-0.3 -2,-0.8 13,-0.2 0.912 57.8 4.8 -82.0 -47.8 -6.1 40.7 5.9 62 68 A D E -D 73 0A 67 11,-1.5 11,-2.7 2,-0.0 2,-0.5 -0.994 49.9-155.5-143.5 144.8 -9.7 39.7 5.0 63 69 A V E -D 72 0A 31 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.958 20.2-169.8-121.5 109.7 -12.6 37.9 6.6 64 70 A I E -D 71 0A 38 7,-2.8 7,-3.2 -2,-0.5 2,-0.6 -0.893 9.2-177.6-109.0 116.1 -14.9 36.4 4.0 65 71 A H E +D 70 0A 89 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.926 25.2 145.1-113.6 103.9 -18.3 35.0 5.0 66 72 A T E > +D 69 0A 59 3,-2.2 3,-1.3 -2,-0.6 -2,-0.1 -0.999 58.9 4.5-146.8 137.6 -20.0 33.4 2.0 67 73 A E T 3 S- 0 0 175 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.858 127.3 -59.0 57.7 41.7 -22.3 30.4 1.4 68 74 A N T 3 S+ 0 0 140 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.703 117.5 114.6 59.2 22.8 -22.5 29.7 5.2 69 75 A K E < - D 0 66A 88 -3,-1.3 -3,-2.2 -31,-0.1 2,-0.5 -0.948 56.9-146.1-123.6 144.3 -18.7 29.3 5.2 70 76 A L E -CD 35 65A 6 -35,-0.7 -35,-3.0 -2,-0.4 2,-0.5 -0.947 13.5-174.6-115.8 120.0 -16.1 31.4 6.9 71 77 A Y E -CD 34 64A 23 -7,-3.2 -7,-2.8 -2,-0.5 2,-0.5 -0.952 7.6-160.5-113.2 129.7 -12.6 32.0 5.3 72 78 A L E -CD 33 63A 11 -39,-2.7 -39,-3.2 -2,-0.5 2,-0.5 -0.953 6.6-158.8-111.6 126.7 -9.9 33.9 7.2 73 79 A V E -CD 32 62A 0 -11,-2.7 -12,-2.2 -2,-0.5 -11,-1.5 -0.925 15.6-176.3-113.3 123.9 -7.1 35.3 5.0 74 80 A F E -CD 31 60A 48 -43,-3.3 -43,-2.5 -2,-0.5 -14,-0.2 -0.819 35.6 -89.5-120.3 155.5 -3.8 36.1 6.7 75 81 A E E -C 30 0A 50 -16,-2.5 2,-0.5 -2,-0.3 -45,-0.1 -0.321 51.8-124.4 -47.9 139.9 -0.4 37.6 6.0 76 82 A F - 0 0 38 -47,-0.6 2,-0.3 -46,-0.1 -47,-0.1 -0.852 27.8-176.3-101.8 131.0 1.9 34.7 4.8 77 83 A L - 0 0 13 -2,-0.5 53,-0.1 53,-0.1 3,-0.0 -0.928 24.5-134.1-120.9 154.0 5.2 33.9 6.5 78 84 A H S S+ 0 0 102 51,-0.4 2,-0.3 -2,-0.3 52,-0.1 0.604 76.0 24.9 -89.2 -14.4 7.5 31.2 5.2 79 85 A Q E -F 129 0B 23 50,-1.0 50,-2.8 4,-0.0 2,-0.2 -0.999 61.0-137.2-152.1 148.3 8.6 29.2 8.3 80 86 A D E > -F 128 0B 28 -2,-0.3 4,-2.0 48,-0.3 48,-0.2 -0.689 30.6-114.5-101.7 161.1 7.4 28.4 11.8 81 87 A L H > S+ 0 0 0 46,-2.9 4,-3.5 43,-1.0 5,-0.2 0.854 113.4 60.0 -64.7 -36.1 9.6 28.3 15.0 82 88 A K H > S+ 0 0 47 42,-1.0 4,-2.8 45,-0.3 -1,-0.2 0.952 106.9 45.8 -54.4 -53.6 9.2 24.5 15.4 83 89 A K H > S+ 0 0 117 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.937 115.4 47.6 -54.1 -48.6 10.8 23.9 11.9 84 90 A F H X S+ 0 0 9 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.899 111.1 50.6 -62.5 -43.4 13.6 26.4 12.8 85 91 A M H < S+ 0 0 19 -4,-3.5 -1,-0.2 2,-0.2 -2,-0.2 0.917 112.6 47.0 -58.3 -46.5 14.1 24.8 16.2 86 92 A D H >< S+ 0 0 104 -4,-2.8 3,-1.2 1,-0.2 4,-0.2 0.922 113.4 48.2 -62.3 -43.8 14.4 21.4 14.6 87 93 A A H 3< S+ 0 0 84 -4,-2.8 3,-0.2 1,-0.2 -1,-0.2 0.729 115.1 45.7 -67.7 -24.5 16.7 22.7 11.9 88 94 A S T 3X S+ 0 0 15 -4,-1.6 4,-3.6 -5,-0.2 -1,-0.2 0.260 84.2 106.6 -98.2 11.8 18.9 24.4 14.6 89 95 A A T <4 S+ 0 0 39 -3,-1.2 -1,-0.1 1,-0.2 -2,-0.1 0.762 73.8 49.3 -71.6 -33.2 18.9 21.4 16.9 90 96 A L T 4 S+ 0 0 171 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.862 129.8 21.4 -73.5 -35.2 22.5 20.1 16.4 91 97 A T T 4 S- 0 0 110 -3,-0.2 -2,-0.2 -4,-0.2 -1,-0.1 0.688 104.7-129.7-102.0 -27.6 24.0 23.6 17.0 92 98 A G < - 0 0 9 -4,-3.6 -3,-0.1 -7,-0.2 82,-0.1 0.163 32.9 -72.1 84.9 150.9 21.2 25.4 18.9 93 99 A I - 0 0 15 80,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.640 61.7-104.7 -73.4 131.1 19.8 28.8 18.2 94 100 A P >> - 0 0 82 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.288 26.5-118.5 -59.5 145.9 22.4 31.5 19.1 95 101 A L H 3> S+ 0 0 69 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.875 111.9 57.0 -54.3 -45.0 21.6 33.3 22.3 96 102 A P H 3> S+ 0 0 68 0, 0.0 4,-2.5 0, 0.0 171,-0.4 0.873 110.5 45.4 -56.7 -34.8 21.3 36.7 20.7 97 103 A L H <> S+ 0 0 7 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.862 111.6 51.2 -75.9 -38.9 18.6 35.3 18.3 98 104 A I H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.953 113.6 46.4 -55.1 -49.8 16.8 33.6 21.2 99 105 A K H X S+ 0 0 13 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.921 112.6 49.6 -62.4 -44.8 16.8 36.9 23.1 100 106 A S H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.925 113.0 46.1 -58.1 -48.4 15.6 38.8 20.0 101 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.922 113.4 48.9 -64.2 -43.9 12.8 36.4 19.4 102 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.945 111.6 50.2 -59.5 -48.2 11.7 36.4 23.1 103 109 A F H X S+ 0 0 51 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.912 111.8 47.6 -54.2 -48.0 11.8 40.3 23.1 104 110 A Q H X S+ 0 0 13 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.903 110.6 50.3 -65.6 -41.7 9.7 40.5 20.0 105 111 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.865 108.3 53.8 -66.0 -35.4 7.1 38.0 21.2 106 112 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.874 108.0 50.7 -64.3 -36.8 6.9 40.0 24.5 107 113 A Q H X S+ 0 0 71 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.940 111.4 47.5 -63.9 -45.6 6.2 43.1 22.4 108 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.930 115.4 44.9 -59.5 -48.0 3.4 41.3 20.5 109 115 A L H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.916 109.4 54.8 -64.0 -44.7 1.9 40.0 23.7 110 116 A A H X S+ 0 0 6 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.873 111.5 47.0 -55.8 -40.1 2.2 43.4 25.5 111 117 A F H X S+ 0 0 49 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.967 114.9 44.0 -63.2 -55.7 0.2 44.9 22.6 112 118 A C H ><>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-1.0 0.924 114.1 50.0 -55.8 -48.8 -2.5 42.1 22.6 113 119 A H H ><5S+ 0 0 14 -4,-3.4 3,-1.6 1,-0.3 -1,-0.2 0.815 103.2 59.5 -64.8 -32.4 -2.8 42.1 26.3 114 120 A S H 3<5S+ 0 0 62 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.753 107.3 48.1 -67.2 -23.9 -3.2 45.9 26.4 115 121 A H T <<5S- 0 0 101 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.144 121.2-111.9 -96.6 16.8 -6.3 45.4 24.2 116 122 A R T < 5S+ 0 0 164 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.796 75.6 132.8 56.5 33.0 -7.6 42.6 26.5 117 123 A V < - 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0 0 37 -3,-1.7 -5,-0.0 -61,-0.4 3,-0.0 -0.498 41.2-165.1 -66.2 136.1 -7.2 20.6 42.6 214 237 A K > - 0 0 103 -2,-0.2 3,-2.1 1,-0.1 -2,-0.1 -0.994 24.4-142.9-123.4 128.5 -7.0 17.4 44.6 215 238 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.744 100.7 70.2 -54.9 -21.7 -5.5 17.2 48.1 216 239 A S T 3 + 0 0 104 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.416 66.7 125.5 -79.8 -1.3 -4.2 13.8 47.0 217 240 A F S < S- 0 0 11 -3,-2.1 -19,-0.0 1,-0.1 -4,-0.0 -0.403 71.7-109.3 -50.2 127.8 -1.7 15.4 44.5 218 241 A P - 0 0 55 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.310 28.4-119.2 -60.5 151.9 1.7 14.0 45.4 219 242 A K + 0 0 171 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.866 36.3 177.1 -99.9 114.3 4.1 16.4 47.0 220 243 A W - 0 0 79 -2,-0.7 -22,-2.1 -27,-0.1 2,-0.2 -0.889 26.8-118.6-112.6 149.7 7.3 16.9 45.0 221 244 A A - 0 0 76 -2,-0.3 -24,-0.5 -24,-0.2 2,-0.2 -0.526 33.3-102.3 -84.0 153.3 10.2 19.3 45.9 222 245 A R - 0 0 117 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.504 33.2-136.6 -75.2 140.5 11.2 22.2 43.6 223 246 A Q - 0 0 62 -28,-3.4 2,-0.3 -2,-0.2 -1,-0.1 -0.575 25.6 -97.3 -92.7 159.5 14.3 21.8 41.4 224 247 A D >> - 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0 0 70 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.404 53.1-137.2 -56.7 134.9 5.5 31.8 38.8 246 269 A Y S S+ 0 0 12 -50,-0.1 -97,-0.2 -43,-0.1 -1,-0.1 0.952 88.2 73.7 -60.3 -52.4 2.6 29.5 39.8 247 270 A D S >> S- 0 0 21 -44,-0.5 3,-1.9 1,-0.2 4,-1.5 -0.528 75.4-150.1 -68.2 114.6 0.4 32.3 41.0 248 271 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.784 96.1 59.8 -58.6 -25.0 -0.9 34.1 37.8 249 272 A N T 34 S+ 0 0 131 1,-0.2 -2,-0.1 -91,-0.0 -3,-0.0 0.632 109.9 40.6 -75.5 -17.6 -1.0 37.3 39.8 250 273 A K T <4 S+ 0 0 137 -3,-1.9 -1,-0.2 2,-0.1 3,-0.1 0.612 89.9 109.3-101.2 -15.9 2.7 37.2 40.6 251 274 A R S < S- 0 0 13 -4,-1.5 -8,-0.2 -6,-0.2 -9,-0.1 -0.336 82.6-100.5 -61.1 135.9 3.7 36.0 37.1 252 275 A I - 0 0 19 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.233 33.8-125.7 -61.9 142.9 5.5 38.8 35.3 253 276 A S > - 0 0 63 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.472 22.3-112.7 -79.5 164.3 3.5 40.8 32.7 254 277 A A H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -144,-0.1 0.927 118.4 51.3 -61.4 -43.7 4.7 41.2 29.1 255 278 A K H > S+ 0 0 130 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.897 112.0 44.9 -61.7 -45.0 5.3 44.9 29.7 256 279 A A H >4 S+ 0 0 49 1,-0.2 3,-0.9 2,-0.2 4,-0.2 0.866 109.0 57.6 -66.8 -37.2 7.4 44.3 32.9 257 280 A A H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 6,-0.2 0.860 97.4 61.4 -61.0 -36.8 9.3 41.5 31.2 258 281 A L H 3< S+ 0 0 40 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.773 103.7 51.0 -61.3 -27.4 10.5 43.9 28.4 259 282 A A T << S+ 0 0 87 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.421 83.0 121.8 -88.4 -2.8 12.2 46.0 31.1 260 283 A H S X S- 0 0 16 -3,-1.7 3,-2.2 -4,-0.2 4,-0.1 -0.341 75.3-117.8 -63.7 142.0 14.1 43.0 32.6 261 284 A P G > S+ 0 0 76 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.692 106.8 78.8 -51.7 -23.2 17.9 43.2 32.7 262 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.792 93.7 50.5 -56.1 -28.6 18.1 40.2 30.4 263 286 A F G X S+ 0 0 12 -3,-2.2 3,-1.9 -6,-0.2 -1,-0.3 0.338 75.6 107.7 -94.1 8.3 17.2 42.5 27.5 264 287 A Q T < S+ 0 0 165 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.860 93.7 28.7 -52.4 -39.9 19.9 45.1 28.4 265 288 A D T 3 S+ 0 0 90 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 -0.051 87.7 151.2-112.6 28.4 22.0 44.0 25.3 266 289 A V < + 0 0 41 -3,-1.9 2,-0.2 -167,-0.1 -169,-0.1 -0.344 15.4 170.4 -66.2 143.7 19.1 42.8 23.0 267 290 A T - 0 0 83 -171,-0.4 -2,-0.0 -2,-0.0 -1,-0.0 -0.751 36.8-112.7-138.1-177.0 19.7 43.1 19.3 268 291 A K - 0 0 113 -2,-0.2 -171,-0.1 -168,-0.0 -134,-0.1 -0.766 36.8-176.2-128.7 82.9 18.0 41.9 16.1 269 292 A P - 0 0 37 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.314 27.4-117.0 -73.1 163.2 20.1 39.3 14.3 270 293 A V - 0 0 113 -2,-0.0 -138,-0.1 -137,-0.0 2,-0.1 -0.896 29.1-138.8 -98.0 128.6 19.2 37.8 10.9 271 294 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 -138,-0.1 -0.407 19.1-111.8 -77.1 162.9 18.6 34.0 11.1 272 295 A H - 0 0 142 -2,-0.1 2,-0.6 2,-0.0 -141,-0.0 -0.875 42.7-172.4 -91.9 105.8 19.8 31.6 8.4 273 296 A L - 0 0 24 -2,-0.8 2,-0.6 -142,-0.1 -142,-0.0 -0.903 17.3-158.2-107.4 121.4 16.6 30.4 6.8 274 297 A R 0 0 203 -2,-0.6 -2,-0.0 1,-0.1 0, 0.0 -0.878 360.0 360.0 -90.6 119.5 16.5 27.7 4.3 275 298 A L 0 0 148 -2,-0.6 -1,-0.1 -196,-0.0 -2,-0.0 0.616 360.0 360.0-119.9 360.0 13.2 28.1 2.3