==== 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 15-MAY-08 2VTP . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.G.WYATT,A.J.WOODHEAD,J.A.BOULSTRIDGE,V.BERDINI,M.G.CARR,D. . 281 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 63.0 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 . 37 13.2 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 . 20 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.0 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 3 1 1 0 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 2 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 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 91 0, 0.0 3,-2.7 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -30.7 13.8 5.4 75.1 2 2 A E T 3 + 0 0 119 1,-0.3 22,-0.1 3,-0.0 0, 0.0 0.707 360.0 61.5 -30.1 -46.1 13.6 4.4 78.8 3 3 A N T 3 S+ 0 0 86 20,-0.1 21,-1.6 21,-0.1 22,-0.5 0.366 103.2 65.8 -70.4 6.4 16.0 1.5 78.3 4 4 A F E < -A 23 0A 24 -3,-2.7 2,-0.5 19,-0.2 19,-0.2 -0.939 61.6-153.8-133.5 149.2 18.7 4.0 77.2 5 5 A Q E -A 22 0A 120 17,-1.5 17,-1.5 -2,-0.3 2,-0.7 -0.955 26.4-133.0-119.5 107.1 20.9 6.8 78.6 6 6 A K E -A 21 0A 84 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.478 23.3-176.5 -57.4 106.4 22.0 9.2 75.9 7 7 A V E - 0 0 67 13,-1.9 2,-0.3 -2,-0.7 14,-0.2 0.835 62.9 -31.0 -77.0 -33.2 25.7 9.6 76.7 8 8 A E E -A 20 0A 109 12,-1.6 12,-3.2 -3,-0.1 2,-0.5 -0.923 64.2 -89.4-177.3 157.5 26.2 12.2 74.0 9 9 A K E -A 19 0A 113 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.649 29.3-172.6 -78.0 117.2 25.1 13.5 70.6 10 10 A I E - 0 0 76 8,-2.5 2,-0.3 -2,-0.5 9,-0.2 0.625 58.0 -66.2 -82.9 -19.0 27.2 11.8 67.9 11 11 A G E -A 18 0A 27 7,-1.2 7,-3.0 2,-0.0 2,-0.9 -0.870 51.7 -70.0 152.6 177.1 25.8 14.1 65.1 12 12 A E E -A 17 0A 133 -2,-0.3 5,-0.2 5,-0.2 7,-0.0 -0.816 52.1-162.1-107.9 88.7 22.9 15.2 63.0 13 13 A G - 0 0 30 3,-1.2 3,-0.5 -2,-0.9 5,-0.0 0.135 32.6-103.5 -59.0 177.1 22.0 12.2 60.6 14 14 A T S S+ 0 0 75 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 0.895 122.9 37.7 -69.8 -40.2 20.0 12.5 57.4 15 15 A Y S S- 0 0 58 1,-0.2 2,-0.3 20,-0.1 -1,-0.2 0.069 131.4 -61.9-103.9 19.9 17.0 10.9 59.2 16 16 A G S S- 0 0 26 -3,-0.5 -3,-1.2 19,-0.2 2,-0.2 -0.875 80.4 -22.4 137.3-166.5 17.4 12.6 62.5 17 17 A V E -A 12 0A 31 -2,-0.3 17,-2.4 -5,-0.2 2,-0.5 -0.557 49.2-145.2 -82.6 148.1 19.7 12.9 65.5 18 18 A V E -AB 11 33A 28 -7,-3.0 -8,-2.5 15,-0.2 -7,-1.2 -0.942 17.8-172.6-113.3 128.2 22.4 10.3 66.4 19 19 A Y E -AB 9 32A 40 13,-3.1 13,-3.4 -2,-0.5 2,-0.5 -0.937 26.4-135.4-120.8 144.4 23.3 9.5 69.9 20 20 A K E +AB 8 31A 45 -12,-3.2 -13,-1.9 -2,-0.4 -12,-1.6 -0.842 45.6 171.5 -82.8 128.7 25.9 7.5 71.6 21 21 A A E -AB 6 30A 0 9,-2.4 9,-3.0 -2,-0.5 2,-0.5 -0.953 32.7-133.5-142.3 160.7 24.0 5.7 74.3 22 22 A R E -AB 5 29A 111 -17,-1.5 -17,-1.5 -2,-0.3 2,-0.8 -0.974 27.2-121.2-118.2 129.2 24.3 2.9 76.9 23 23 A N E > -A 4 0A 22 5,-2.9 4,-2.8 -2,-0.5 -19,-0.2 -0.604 20.8-144.7 -66.5 105.7 21.7 0.2 77.4 24 24 A K T 4 S+ 0 0 136 -21,-1.6 -1,-0.2 -2,-0.8 -20,-0.1 0.662 95.5 29.3 -51.2 -23.6 20.6 0.7 81.0 25 25 A L T 4 S+ 0 0 119 -22,-0.5 -1,-0.2 3,-0.1 -21,-0.1 0.845 125.3 38.1 -99.4 -59.3 20.2 -3.1 81.3 26 26 A T T 4 S- 0 0 91 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.638 92.5-138.4 -67.8 -16.6 22.6 -4.9 78.9 27 27 A G < + 0 0 33 -4,-2.8 -3,-0.1 1,-0.2 -1,-0.1 0.266 53.5 143.6 74.2 -11.3 25.3 -2.3 79.7 28 28 A E - 0 0 111 -5,-0.1 -5,-2.9 -6,-0.1 2,-0.3 -0.307 49.1-133.2 -65.4 136.4 26.2 -2.2 76.0 29 29 A V E +B 22 0A 34 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.690 39.1 165.5 -87.3 144.1 27.2 1.1 74.4 30 30 A V E -BC 21 74A 3 -9,-3.0 -9,-2.4 -2,-0.3 2,-0.5 -0.872 42.3-101.4-151.0 169.6 25.4 1.7 71.2 31 31 A A E -BC 20 73A 15 42,-2.9 42,-3.0 -2,-0.3 2,-0.6 -0.963 34.4-160.5-104.1 125.7 24.5 4.2 68.5 32 32 A L E -BC 19 72A 7 -13,-3.4 -13,-3.1 -2,-0.5 2,-0.6 -0.944 5.1-168.0-110.9 116.9 20.9 5.4 68.8 33 33 A K E -BC 18 71A 4 38,-3.2 38,-2.6 -2,-0.6 2,-0.4 -0.936 8.7-153.7-111.3 117.8 19.3 7.0 65.8 34 34 A K E C 0 70A 45 -17,-2.4 36,-0.2 -2,-0.6 -21,-0.1 -0.768 360.0 360.0 -84.4 130.5 16.0 8.9 66.1 35 35 A I 0 0 54 34,-3.2 34,-0.5 -2,-0.4 -19,-0.2 -0.814 360.0 360.0 -93.5 360.0 14.1 8.8 62.8 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 44 A V 0 0 74 0, 0.0 31,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 108.8 5.2 5.8 61.0 38 45 A P > - 0 0 81 0, 0.0 4,-1.6 0, 0.0 3,-0.2 -0.335 360.0-127.1 -65.6 141.9 4.1 3.9 57.8 39 46 A S H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.789 108.8 62.9 -55.8 -33.0 4.0 0.1 57.8 40 47 A T H > S+ 0 0 94 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.961 102.6 47.6 -58.9 -53.6 6.2 0.1 54.7 41 48 A A H > S+ 0 0 0 1,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.855 112.9 51.9 -53.3 -37.2 9.0 1.9 56.5 42 49 A I H X S+ 0 0 42 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.893 110.3 46.7 -63.9 -41.6 8.4 -0.8 59.2 43 50 A R H X S+ 0 0 146 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.869 112.6 50.1 -71.2 -36.4 8.7 -3.6 56.7 44 51 A E H X S+ 0 0 37 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.924 110.0 48.5 -65.9 -51.5 11.8 -2.2 55.1 45 52 A I H X S+ 0 0 1 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.828 107.0 57.2 -61.6 -31.2 13.7 -1.7 58.3 46 53 A S H >< S+ 0 0 38 -4,-1.5 3,-0.8 1,-0.2 4,-0.5 0.907 102.1 54.4 -67.5 -41.0 12.8 -5.3 59.4 47 54 A L H >X S+ 0 0 91 -4,-1.5 3,-1.6 1,-0.2 4,-1.0 0.880 102.7 60.6 -51.0 -38.3 14.4 -6.6 56.3 48 55 A L H 3< S+ 0 0 10 -4,-1.3 11,-0.3 1,-0.3 -1,-0.2 0.782 91.7 64.4 -65.7 -32.7 17.5 -4.7 57.4 49 56 A K T << S+ 0 0 81 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.666 102.9 52.5 -61.2 -20.1 17.7 -6.7 60.7 50 57 A E T <4 S+ 0 0 139 -3,-1.6 2,-1.9 -4,-0.5 -1,-0.2 0.836 85.4 81.8 -87.5 -38.8 18.4 -9.7 58.5 51 58 A L < + 0 0 16 -4,-1.0 2,-0.4 -3,-0.1 8,-0.2 -0.513 60.8 169.4 -78.5 86.0 21.3 -8.5 56.3 52 59 A N + 0 0 70 -2,-1.9 5,-0.1 6,-0.1 6,-0.1 -0.821 2.9 154.1 -97.8 133.1 24.1 -9.1 58.7 53 60 A H > - 0 0 43 -2,-0.4 3,-2.4 3,-0.4 54,-0.0 -0.965 53.3-116.3-158.2 144.2 27.6 -8.8 57.4 54 61 A P T 3 S+ 0 0 93 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.653 118.6 49.4 -54.9 -23.0 31.0 -8.0 59.0 55 62 A N T 3 S+ 0 0 11 80,-0.1 81,-2.7 78,-0.1 2,-0.4 0.253 97.4 79.5-108.9 23.7 31.2 -4.9 56.8 56 63 A I B < S-e 136 0B 8 -3,-2.4 -3,-0.4 79,-0.3 81,-0.2 -0.985 90.5-111.7-125.8 127.1 27.7 -3.6 57.6 57 64 A V - 0 0 8 79,-2.5 2,-0.3 -2,-0.4 82,-0.1 -0.417 46.3-113.2 -57.4 123.6 27.0 -1.7 60.8 58 65 A K - 0 0 106 -2,-0.1 16,-2.3 1,-0.1 2,-0.9 -0.477 15.5-138.7 -73.2 127.9 24.8 -4.1 62.7 59 66 A L E -D 73 0A 11 -11,-0.3 14,-0.3 -2,-0.3 3,-0.1 -0.740 24.2-178.0 -79.8 103.1 21.2 -3.1 63.3 60 67 A L E - 0 0 51 12,-2.5 2,-0.3 -2,-0.9 13,-0.2 0.923 57.9 -10.7 -74.0 -42.7 20.8 -4.3 66.9 61 68 A D E -D 72 0A 94 11,-1.6 11,-2.7 2,-0.0 2,-0.5 -0.984 47.7-142.0-160.4 153.2 17.2 -3.3 67.4 62 69 A V E -D 71 0A 37 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.991 21.0-165.5-120.8 114.3 14.2 -1.4 66.0 63 70 A I E +D 70 0A 37 7,-2.8 7,-1.6 -2,-0.5 2,-0.9 -0.889 11.8 177.6-108.3 104.4 12.1 0.4 68.7 64 71 A H E +D 69 0A 82 -2,-0.7 2,-0.4 5,-0.2 5,-0.2 -0.853 25.9 152.2-102.8 90.8 8.7 1.6 67.5 65 72 A T E > -D 68 0A 51 3,-0.9 3,-1.0 -2,-0.9 -2,-0.1 -0.977 61.8 -1.4-126.2 138.2 7.3 3.0 70.7 66 73 A E T 3 S- 0 0 152 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.806 127.4 -61.6 53.4 37.3 4.7 5.8 71.2 67 74 A N T 3 S+ 0 0 130 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.898 112.6 117.9 56.1 42.7 4.6 6.2 67.5 68 75 A K E < - D 0 65A 88 -3,-1.0 -3,-0.9 -31,-0.0 2,-0.5 -0.907 57.4-133.4-131.0 160.4 8.3 7.1 67.3 69 76 A L E + D 0 64A 6 -34,-0.5 -34,-3.2 -2,-0.3 2,-0.4 -0.972 24.2 170.3-126.4 123.6 11.1 5.4 65.5 70 77 A Y E -CD 34 63A 23 -7,-1.6 -7,-2.8 -2,-0.5 2,-0.5 -0.999 15.7-157.9-129.3 126.8 14.6 4.6 67.0 71 78 A L E -CD 33 62A 0 -38,-2.6 -38,-3.2 -2,-0.4 2,-0.5 -0.937 7.8-152.4-101.4 131.8 17.2 2.4 65.4 72 79 A V E -CD 32 61A 2 -11,-2.7 -12,-2.5 -2,-0.5 -11,-1.6 -0.909 19.9-179.2-103.2 120.5 19.9 0.9 67.7 73 80 A F E -CD 31 59A 19 -42,-3.0 -42,-2.9 -2,-0.5 -14,-0.2 -0.809 37.6 -95.8-119.5 151.0 23.2 0.2 65.9 74 81 A E E -C 30 0A 46 -16,-2.3 2,-0.4 -2,-0.3 -44,-0.2 -0.412 52.7-116.3 -58.8 144.6 26.5 -1.3 67.1 75 82 A F - 0 0 36 -46,-0.6 2,-0.3 -54,-0.1 -1,-0.1 -0.708 31.6-174.5 -90.3 134.3 28.7 1.6 68.0 76 83 A L - 0 0 16 -2,-0.4 53,-0.1 53,-0.1 3,-0.0 -0.974 25.1-132.4-123.0 155.7 32.0 2.4 66.2 77 84 A H S S+ 0 0 99 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.548 77.1 18.6 -86.8 -15.3 34.3 5.2 67.3 78 85 A Q E -F 128 0B 14 50,-1.1 50,-3.2 205,-0.1 2,-0.2 -0.995 57.5-139.5-152.2 157.0 35.0 6.9 64.0 79 86 A D E > -F 127 0B 46 -2,-0.3 4,-1.6 48,-0.3 48,-0.3 -0.717 34.8-109.6-111.0 162.6 33.9 7.6 60.5 80 87 A L H > S+ 0 0 0 46,-2.5 4,-2.1 43,-1.0 44,-0.2 0.746 112.8 60.6 -63.8 -26.9 36.0 7.8 57.3 81 88 A K H > S+ 0 0 69 42,-0.8 4,-2.2 45,-0.3 3,-0.3 0.988 107.4 43.2 -68.3 -49.9 35.4 11.6 56.9 82 89 A K H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.855 114.3 52.4 -60.9 -34.9 37.0 12.4 60.2 83 90 A F H < S+ 0 0 9 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.835 108.3 50.6 -72.1 -35.5 39.8 10.0 59.5 84 91 A M H >< S+ 0 0 22 -4,-2.1 3,-0.6 -3,-0.3 -1,-0.2 0.877 111.1 46.9 -64.7 -47.6 40.5 11.6 56.2 85 92 A D H >< S+ 0 0 87 -4,-2.2 3,-1.3 1,-0.2 4,-0.3 0.905 113.0 51.4 -60.1 -44.5 40.7 15.1 57.6 86 93 A A T 3< S+ 0 0 72 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.582 113.4 44.5 -62.7 -18.5 43.0 13.6 60.3 87 94 A S T <> S+ 0 0 14 -3,-0.6 4,-2.0 -4,-0.4 -1,-0.2 0.058 79.4 108.0-115.6 20.4 45.2 12.0 57.6 88 95 A A T <4 S+ 0 0 50 -3,-1.3 -2,-0.1 1,-0.2 -1,-0.1 0.878 71.5 60.9 -66.0 -40.0 45.4 15.1 55.3 89 96 A L T 4 S+ 0 0 156 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.920 129.0 4.7 -52.4 -58.4 49.0 15.8 56.2 90 97 A T T 4 S- 0 0 110 1,-0.1 -1,-0.2 3,-0.0 -2,-0.2 0.592 103.3-126.7-106.7 -17.6 50.5 12.5 55.0 91 98 A G < - 0 0 8 -4,-2.0 -3,-0.1 -7,-0.1 -1,-0.1 -0.002 38.3 -61.5 87.8 157.4 47.5 10.8 53.4 92 99 A I - 0 0 12 89,-0.6 5,-0.1 1,-0.1 92,-0.0 -0.682 64.4-104.6 -71.3 130.3 46.1 7.3 54.2 93 100 A P >> - 0 0 79 0, 0.0 4,-2.4 0, 0.0 3,-0.6 -0.120 26.3-121.2 -55.6 144.8 48.8 4.7 53.3 94 101 A L H 3> S+ 0 0 64 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.892 111.6 57.6 -58.5 -37.9 47.9 2.9 50.1 95 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.6 0, 0.0 180,-0.4 0.878 111.0 44.5 -61.6 -33.2 47.8 -0.5 51.8 96 103 A L H <> S+ 0 0 7 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.900 111.4 52.2 -76.5 -39.3 45.1 0.8 54.1 97 104 A I H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.955 111.4 48.2 -57.3 -49.6 43.2 2.5 51.3 98 105 A K H X S+ 0 0 13 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.877 111.0 49.4 -60.2 -40.1 43.2 -0.8 49.4 99 106 A S H X S+ 0 0 3 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.905 111.7 48.8 -68.5 -45.7 42.0 -2.8 52.5 100 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.964 112.3 49.0 -57.6 -50.4 39.2 -0.3 53.1 101 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.914 111.8 49.2 -53.2 -43.4 38.2 -0.5 49.4 102 109 A F H X S+ 0 0 58 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.863 112.6 45.8 -66.4 -41.6 38.2 -4.3 49.5 103 110 A Q H X S+ 0 0 13 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.914 112.3 51.4 -72.8 -39.2 36.1 -4.6 52.6 104 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.912 108.9 51.2 -60.6 -46.6 33.6 -2.0 51.4 105 112 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.888 108.2 53.0 -57.1 -39.6 33.3 -3.9 48.1 106 113 A Q H X S+ 0 0 69 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.953 108.9 48.7 -58.6 -50.2 32.6 -7.1 50.2 107 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.898 114.3 46.8 -53.0 -46.2 29.8 -5.2 52.1 108 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.917 107.3 54.6 -67.0 -43.3 28.4 -4.1 48.8 109 116 A A H X S+ 0 0 22 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.922 111.5 47.4 -59.5 -37.8 28.6 -7.5 47.1 110 117 A F H X S+ 0 0 49 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.924 115.3 42.7 -64.5 -54.0 26.6 -8.9 50.0 111 118 A C H <>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 3,-0.5 0.931 115.7 49.6 -58.5 -49.5 23.9 -6.2 50.0 112 119 A H H ><5S+ 0 0 30 -4,-3.3 3,-1.6 3,-0.2 -1,-0.2 0.789 102.6 60.1 -62.5 -32.1 23.7 -6.2 46.2 113 120 A S H 3<5S+ 0 0 71 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.856 108.8 46.0 -68.0 -26.7 23.3 -10.0 46.2 114 121 A H T 3<5S- 0 0 90 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.171 121.5-111.3 -95.3 15.5 20.2 -9.5 48.3 115 122 A R T < 5S+ 0 0 188 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.735 74.7 136.2 63.8 24.7 19.0 -6.7 46.0 116 123 A V < - 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0 0 41 -3,-1.6 3,-0.1 -61,-0.4 -5,-0.0 -0.567 45.0-162.1 -73.0 140.3 19.4 15.3 29.8 222 237 A K > - 0 0 106 -2,-0.2 3,-2.5 1,-0.1 -5,-0.1 -0.977 25.1-142.8-130.0 126.8 19.6 18.5 27.6 223 238 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.780 103.5 68.1 -49.3 -23.7 21.1 18.6 24.0 224 239 A S T 3 + 0 0 100 -3,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.272 68.3 122.3 -80.9 -1.1 22.3 22.0 25.2 225 240 A F S < S- 0 0 13 -3,-2.5 -4,-0.0 1,-0.1 -19,-0.0 -0.566 74.2-104.5 -58.7 137.1 24.9 20.6 27.8 226 241 A P - 0 0 55 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.264 30.3-123.6 -55.9 150.0 28.4 21.8 26.9 227 242 A K - 0 0 188 -3,-0.1 2,-0.2 -22,-0.1 -25,-0.0 -0.800 34.6-178.6-104.0 97.7 30.6 19.2 25.3 228 243 A W - 0 0 80 -2,-0.9 -22,-1.5 1,-0.0 2,-0.3 -0.616 25.9-117.4 -93.7 153.4 33.8 18.8 27.3 229 244 A A - 0 0 83 -2,-0.2 -24,-0.5 -24,-0.2 2,-0.1 -0.622 33.8-105.1 -88.5 145.1 36.6 16.4 26.5 230 245 A R - 0 0 117 -26,-0.3 -26,-0.2 -2,-0.3 2,-0.2 -0.449 32.7-136.8 -66.9 138.0 37.5 13.6 28.8 231 246 A Q - 0 0 70 -28,-2.5 2,-0.3 -2,-0.1 -1,-0.0 -0.535 25.6-101.1 -82.5 169.5 40.6 14.1 30.9 232 247 A D >> - 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0 0 62 -3,-0.7 6,-0.1 1,-0.1 -3,-0.1 -0.329 50.8-139.6 -60.0 130.3 31.8 4.0 33.8 254 269 A Y S S+ 0 0 13 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.952 87.5 74.1 -53.9 -53.4 29.0 6.3 32.7 255 270 A D S >> S- 0 0 14 -44,-0.4 3,-1.9 1,-0.2 4,-1.3 -0.523 75.5-150.5 -73.4 115.6 26.8 3.4 31.5 256 271 A P T 34 S+ 0 0 22 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.884 98.5 55.3 -55.1 -33.8 25.5 1.7 34.7 257 272 A N T 34 S+ 0 0 152 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.669 109.6 45.1 -71.9 -21.8 25.4 -1.6 32.8 258 273 A K T <4 S+ 0 0 102 -3,-1.9 -1,-0.3 2,-0.1 2,-0.1 0.562 90.2 106.7 -86.8 -22.8 29.1 -1.2 31.9 259 274 A R S < S- 0 0 13 -4,-1.3 -8,-0.2 -3,-0.5 -9,-0.1 -0.433 82.2-105.1 -67.9 135.8 30.1 -0.2 35.4 260 275 A I - 0 0 21 -10,-1.9 2,-0.1 -13,-0.2 -1,-0.1 -0.221 32.7-123.4 -58.5 144.9 31.9 -3.0 37.3 261 276 A S > - 0 0 62 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.509 21.0-112.9 -80.2 163.6 30.0 -4.9 39.9 262 277 A A H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -153,-0.2 0.917 119.5 50.3 -57.1 -47.6 31.1 -5.2 43.5 263 278 A K H > S+ 0 0 162 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.923 112.6 44.4 -61.4 -46.2 31.7 -8.9 42.9 264 279 A A H >4 S+ 0 0 47 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.888 108.9 58.0 -64.8 -35.7 33.7 -8.4 39.7 265 280 A A H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 6,-0.2 0.883 97.8 61.6 -63.6 -35.2 35.7 -5.6 41.4 266 281 A L H 3< S+ 0 0 42 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.779 102.3 52.0 -59.7 -28.0 36.8 -8.0 44.1 267 282 A A T << S+ 0 0 87 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.450 82.8 121.8 -88.9 0.5 38.5 -10.1 41.5 268 283 A H S X S- 0 0 17 -3,-1.8 3,-2.0 -4,-0.3 4,-0.2 -0.334 74.4-120.9 -67.8 149.3 40.5 -7.2 40.1 269 284 A P G > S+ 0 0 72 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.722 104.9 79.5 -65.9 -18.4 44.3 -7.6 40.1 270 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.830 94.1 48.9 -49.1 -35.1 44.5 -4.4 42.3 271 286 A F G X S+ 0 0 15 -3,-2.0 3,-2.0 -6,-0.2 -1,-0.3 0.382 77.7 106.2 -89.6 0.9 43.6 -6.6 45.2 272 287 A Q T < S+ 0 0 167 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.870 93.0 31.1 -42.6 -43.3 46.2 -9.2 44.3 273 288 A D T 3 S+ 0 0 96 -3,-0.5 -1,-0.3 -4,-0.3 2,-0.2 -0.162 86.6 153.6-113.2 38.0 48.3 -8.0 47.3 274 289 A V < + 0 0 39 -3,-2.0 2,-0.2 -176,-0.1 -3,-0.1 -0.469 14.5 174.4 -73.4 144.2 45.6 -6.9 49.7 275 290 A T - 0 0 80 -180,-0.4 -2,-0.0 -2,-0.2 -1,-0.0 -0.735 35.6-116.3-133.4 179.4 46.3 -6.9 53.4 276 291 A K - 0 0 117 -2,-0.2 -180,-0.1 -177,-0.0 -143,-0.1 -0.668 37.3-174.5-124.0 76.1 44.5 -5.8 56.5 277 292 A P - 0 0 33 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.212 24.8-120.0 -63.4 152.9 46.6 -3.0 58.1 278 293 A V - 0 0 111 -146,-0.0 2,-0.2 2,-0.0 -147,-0.1 -0.842 25.7-133.5 -93.8 128.6 45.7 -1.5 61.4 279 294 A P - 0 0 9 0, 0.0 2,-0.8 0, 0.0 -147,-0.1 -0.594 10.8-128.0 -78.3 146.9 44.9 2.3 61.4 280 295 A H + 0 0 156 -2,-0.2 2,-0.4 2,-0.0 -150,-0.0 -0.886 43.1 166.7 -89.2 108.7 46.4 4.6 64.0 281 296 A L - 0 0 16 -2,-0.8 2,-0.7 -151,-0.1 -198,-0.0 -0.993 31.3-141.4-128.6 138.9 43.4 6.5 65.3 282 297 A R 0 0 193 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.907 360.0 360.0-103.1 112.2 43.1 8.7 68.4 283 298 A L 0 0 113 -2,-0.7 -205,-0.1 -205,-0.0 -206,-0.0 -0.516 360.0 360.0 -94.1 360.0 39.8 8.3 70.2