==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JUN-02 1H0W . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.E.GIBSON,C.E.ARRIS,J.BENTLEY,F.T.BOYLE,N.J.CURTIN, . 283 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 64.3 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 . 39 13.8 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 . 19 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 0 1 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,-4.2 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -61.0 -13.3 31.7 -2.5 2 2 A E T 3 + 0 0 142 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.678 360.0 71.8 -22.1 -28.6 -13.3 31.3 -6.3 3 3 A N T 3 S+ 0 0 93 20,-0.1 21,-2.5 2,-0.0 2,-0.4 0.423 92.8 67.3 -78.2 0.3 -11.1 34.4 -5.9 4 4 A F E < -A 23 0A 22 -3,-4.2 2,-0.5 19,-0.2 19,-0.2 -0.964 65.4-154.0-127.1 142.9 -8.3 32.2 -4.5 5 5 A Q E -A 22 0A 96 17,-2.2 17,-2.2 -2,-0.4 2,-0.3 -0.965 23.9-130.6-115.1 120.9 -6.1 29.5 -6.0 6 6 A K E +A 21 0A 131 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.537 24.8 179.5 -74.6 132.0 -4.8 26.9 -3.5 7 7 A V E - 0 0 66 13,-3.2 2,-0.3 1,-0.3 14,-0.2 0.837 58.4 -21.6 -99.2 -48.5 -1.1 26.3 -3.8 8 8 A E E -A 20 0A 113 12,-1.4 12,-2.4 3,-0.0 2,-0.8 -0.983 60.3 -97.9-164.1 155.2 -0.4 23.7 -1.1 9 9 A K E -A 19 0A 114 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.659 33.0-175.3 -74.5 108.1 -1.5 22.1 2.2 10 10 A I E - 0 0 79 8,-1.9 2,-0.2 -2,-0.8 -1,-0.2 0.829 56.2 -72.7 -71.6 -36.8 0.6 24.0 4.8 11 11 A G E -A 18 0A 30 7,-1.1 7,-2.3 -3,-0.1 2,-0.5 -0.871 47.1 -80.2 158.0 174.5 -0.7 21.8 7.6 12 12 A E E +A 17 0A 155 -2,-0.2 5,-0.2 5,-0.2 2,-0.2 -0.909 50.8 179.9-109.2 128.0 -3.8 21.0 9.7 13 13 A G E > -A 16 0A 42 3,-3.9 3,-0.8 -2,-0.5 -2,-0.0 -0.499 43.1 -75.7-120.7-171.9 -4.5 23.2 12.6 14 14 A T T 3 S+ 0 0 69 1,-0.3 3,-0.1 -2,-0.2 22,-0.0 0.874 128.7 29.8 -49.9 -50.9 -6.8 23.9 15.5 15 15 A Y T 3 S- 0 0 19 1,-0.2 21,-1.7 20,-0.1 2,-0.3 0.366 126.8 -83.0 -97.8 2.3 -9.6 25.4 13.5 16 16 A G E < S-A 13 0A 24 -3,-0.8 -3,-3.9 19,-0.2 2,-0.2 -0.954 75.1 -4.1 141.4-156.1 -8.9 23.5 10.4 17 17 A V E -A 12 0A 30 -2,-0.3 17,-2.0 17,-0.3 2,-0.5 -0.547 50.0-154.9 -81.9 139.9 -6.8 23.2 7.3 18 18 A V E -AB 11 33A 22 -7,-2.3 -8,-1.9 -2,-0.2 -7,-1.1 -0.981 15.1-170.8-115.5 124.5 -4.4 26.0 6.5 19 19 A Y E -AB 9 32A 64 13,-2.5 13,-2.7 -2,-0.5 2,-0.5 -0.829 25.8-129.4-114.7 154.2 -3.4 26.5 2.8 20 20 A K E +AB 8 31A 50 -12,-2.4 -13,-3.2 -2,-0.3 -12,-1.4 -0.868 48.2 167.0 -89.4 135.9 -0.8 28.6 1.0 21 21 A A E -AB 6 30A 0 9,-2.9 9,-3.2 -2,-0.5 2,-0.4 -0.964 34.1-127.5-150.1 162.9 -2.8 30.4 -1.7 22 22 A R E -AB 5 29A 108 -17,-2.2 -17,-2.2 -2,-0.3 2,-0.7 -0.932 23.0-125.2-115.8 143.0 -2.8 33.2 -4.2 23 23 A N E > -A 4 0A 24 5,-2.9 4,-2.5 -2,-0.4 -19,-0.2 -0.779 21.4-143.8 -84.1 116.7 -5.3 36.0 -4.7 24 24 A K T 4 S+ 0 0 121 -21,-2.5 -1,-0.1 -2,-0.7 -20,-0.1 0.435 93.8 28.3 -68.7 -0.8 -6.3 35.7 -8.3 25 25 A L T 4 S+ 0 0 157 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.651 125.9 39.1-121.4 -47.0 -6.6 39.5 -8.7 26 26 A T T 4 S- 0 0 85 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.792 91.9-140.1 -73.0 -23.9 -4.1 41.1 -6.2 27 27 A G < + 0 0 31 -4,-2.5 -3,-0.1 1,-0.3 -1,-0.1 0.442 50.6 151.2 76.0 1.6 -1.6 38.4 -7.0 28 28 A E - 0 0 91 -5,-0.1 -5,-2.9 -6,-0.1 2,-0.5 -0.354 45.4-133.3 -66.5 135.4 -0.9 38.5 -3.3 29 29 A V E +B 22 0A 50 -7,-0.2 47,-0.5 -3,-0.1 2,-0.3 -0.869 38.7 168.3 -92.4 129.6 0.3 35.2 -1.7 30 30 A V E -BC 21 75A 2 -9,-3.2 -9,-2.9 -2,-0.5 2,-0.5 -0.820 40.3-112.0-135.5 171.3 -1.6 34.4 1.5 31 31 A A E -BC 20 74A 11 43,-2.6 43,-2.7 -2,-0.3 2,-0.5 -0.947 33.5-157.4-106.8 128.1 -2.3 31.8 4.1 32 32 A L E -BC 19 73A 4 -13,-2.7 -13,-2.5 -2,-0.5 2,-0.6 -0.923 5.4-165.0-113.8 120.4 -6.0 30.7 4.0 33 33 A K E -BC 18 72A 27 39,-3.3 39,-2.9 -2,-0.5 2,-0.7 -0.890 7.6-155.4-107.2 122.7 -7.7 29.2 7.0 34 34 A K E - C 0 71A 70 -17,-2.0 2,-0.4 -2,-0.6 -17,-0.3 -0.858 20.2-141.0 -90.4 115.6 -11.0 27.3 6.6 35 35 A I E C 0 70A 17 35,-2.7 35,-0.6 -2,-0.7 -19,-0.2 -0.695 360.0 360.0 -84.3 135.0 -12.7 27.5 10.0 36 36 A R 0 0 114 -21,-1.7 -1,-0.1 -2,-0.4 -20,-0.1 -0.489 360.0 360.0 -76.1 360.0 -14.4 24.3 10.9 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 65 0, 0.0 30,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 130.3 -21.7 30.5 11.5 39 45 A P >> - 0 0 87 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.267 360.0-133.5 -63.8 136.4 -22.7 32.2 14.7 40 46 A S H 3> S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.874 103.7 61.6 -58.5 -41.2 -23.2 35.9 14.6 41 47 A T H 3> S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 104.6 48.5 -51.5 -42.6 -21.1 36.4 17.7 42 48 A A H <> S+ 0 0 3 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.920 108.2 52.6 -68.5 -45.8 -18.0 35.0 16.0 43 49 A I H X S+ 0 0 37 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.955 112.6 46.4 -55.5 -47.8 -18.4 37.1 12.9 44 50 A R H X S+ 0 0 157 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.896 114.1 46.2 -63.0 -41.8 -18.5 40.2 15.1 45 51 A E H >X S+ 0 0 48 -4,-2.2 4,-1.8 1,-0.2 3,-0.8 0.938 113.0 49.2 -67.6 -44.7 -15.6 39.2 17.3 46 52 A I H 3X S+ 0 0 0 -4,-2.9 4,-0.8 1,-0.3 -1,-0.2 0.836 105.9 58.4 -62.7 -33.7 -13.4 38.2 14.3 47 53 A S H 3< S+ 0 0 40 -4,-1.9 -1,-0.3 -5,-0.3 4,-0.2 0.773 105.6 50.1 -68.7 -26.1 -14.3 41.5 12.7 48 54 A L H X< S+ 0 0 105 -4,-1.0 3,-1.9 -3,-0.8 4,-0.4 0.879 101.8 59.5 -76.5 -39.0 -12.9 43.3 15.6 49 55 A L H >< S+ 0 0 15 -4,-1.8 3,-0.8 1,-0.3 11,-0.3 0.728 92.3 72.1 -64.2 -17.7 -9.6 41.4 15.6 50 56 A K T 3< S+ 0 0 72 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.757 93.8 53.2 -65.3 -25.7 -9.1 42.8 12.0 51 57 A E T < S+ 0 0 154 -3,-1.9 2,-1.2 -4,-0.2 -1,-0.2 0.642 82.3 101.4 -89.0 -11.9 -8.4 46.2 13.4 52 58 A L < + 0 0 25 -3,-0.8 2,-0.5 -4,-0.4 8,-0.3 -0.562 52.8 172.7 -73.4 93.4 -5.7 44.9 15.7 53 59 A N + 0 0 76 -2,-1.2 5,-0.1 6,-0.1 -2,-0.0 -0.901 9.4 141.6-118.8 134.7 -2.5 45.8 13.9 54 60 A H > - 0 0 41 -2,-0.5 3,-2.0 3,-0.4 54,-0.0 -0.971 55.1-113.8-162.9 144.4 1.1 45.5 15.2 55 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.721 116.9 46.3 -56.7 -25.8 4.4 44.5 13.7 56 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.7 48,-0.1 2,-0.5 0.266 98.0 83.9-105.9 14.1 4.6 41.3 15.9 57 63 A I B < S-e 137 0B 11 -3,-2.0 -3,-0.4 79,-0.3 2,-0.3 -0.964 86.8-116.8-113.6 127.6 1.1 40.2 15.2 58 64 A V - 0 0 8 79,-3.2 2,-0.2 -2,-0.5 81,-0.2 -0.465 42.1-113.8 -60.1 123.1 0.3 38.2 12.0 59 65 A K - 0 0 101 -2,-0.3 16,-2.3 1,-0.1 2,-1.1 -0.368 14.0-143.7 -71.8 125.8 -2.0 40.4 10.0 60 66 A L E -D 74 0A 16 -11,-0.3 14,-0.2 -8,-0.3 3,-0.1 -0.768 22.6-177.4 -84.0 101.8 -5.6 39.3 9.4 61 67 A L E - 0 0 35 12,-1.3 2,-0.3 -2,-1.1 13,-0.2 0.895 56.0 -9.7 -69.3 -45.7 -6.1 40.6 5.9 62 68 A D E -D 73 0A 89 11,-1.6 11,-2.5 2,-0.0 2,-0.5 -0.995 51.1-136.5-158.0 154.1 -9.7 39.7 5.3 63 69 A V E -D 72 0A 26 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.961 20.3-162.4-115.3 120.1 -12.7 37.7 6.6 64 70 A I E +D 71 0A 37 7,-2.7 7,-2.0 -2,-0.5 2,-0.7 -0.864 10.7 178.1-114.8 107.3 -14.7 35.7 4.1 65 71 A H E +D 70 0A 94 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.900 22.7 145.4-103.6 106.7 -18.1 34.5 5.0 66 72 A T E > -D 69 0A 51 3,-1.7 3,-2.1 -2,-0.7 -2,-0.0 -0.994 59.4 -0.3-146.9 145.2 -19.8 32.6 2.1 67 73 A E T 3 S- 0 0 132 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.867 125.1 -56.7 43.3 57.8 -22.1 29.6 1.9 68 74 A N T 3 S+ 0 0 146 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.310 119.2 112.3 65.8 -16.6 -22.5 29.0 5.6 69 75 A K E < - D 0 66A 93 -3,-2.1 -3,-1.7 -31,-0.0 2,-0.4 -0.499 55.9-147.9 -93.8 162.2 -18.6 28.7 5.5 70 76 A L E -CD 35 65A 4 -35,-0.6 -35,-2.7 -5,-0.2 2,-0.4 -0.991 12.8-179.3-132.2 131.0 -15.9 30.8 7.1 71 77 A Y E -CD 34 64A 23 -7,-2.0 -7,-2.7 -2,-0.4 2,-0.4 -0.994 13.8-151.6-130.4 131.9 -12.3 31.5 5.8 72 78 A L E -CD 33 63A 0 -39,-2.9 -39,-3.3 -2,-0.4 2,-0.6 -0.887 8.4-154.9-103.6 132.9 -9.6 33.6 7.4 73 79 A V E -CD 32 62A 2 -11,-2.5 -11,-1.6 -2,-0.4 -12,-1.3 -0.956 19.7-179.5-112.1 118.6 -7.1 35.3 5.1 74 80 A F E -CD 31 60A 11 -43,-2.7 -43,-2.6 -2,-0.6 -14,-0.2 -0.871 36.8 -94.6-120.3 148.6 -3.7 36.1 6.7 75 81 A E E -C 30 0A 49 -16,-2.3 2,-0.4 -2,-0.3 -45,-0.1 -0.287 51.0-125.9 -44.5 136.4 -0.4 37.6 5.8 76 82 A F - 0 0 42 -47,-0.5 2,-0.3 -18,-0.0 -47,-0.1 -0.843 27.7-177.9-103.0 134.2 1.9 34.8 4.8 77 83 A L - 0 0 16 -2,-0.4 53,-0.1 53,-0.1 3,-0.1 -0.915 28.1-127.2-122.6 158.3 5.4 34.1 6.3 78 84 A H S S+ 0 0 106 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.376 79.8 32.6 -95.2 7.4 7.7 31.3 5.2 79 85 A Q E -F 129 0B 13 50,-0.8 50,-2.8 204,-0.0 2,-0.2 -0.904 58.1-145.0-162.9 137.1 8.6 29.5 8.4 80 86 A D E > -F 128 0B 47 -2,-0.3 4,-1.9 48,-0.2 48,-0.2 -0.615 34.7-114.0 -92.6 161.0 7.2 28.6 11.8 81 87 A L H > S+ 0 0 0 46,-2.4 4,-2.1 43,-1.1 44,-0.2 0.761 113.3 60.4 -70.5 -25.0 9.4 28.4 14.9 82 88 A K H > S+ 0 0 39 42,-0.7 4,-2.4 45,-0.3 5,-0.2 0.973 105.4 46.4 -64.3 -51.1 8.9 24.7 15.3 83 89 A K H > S+ 0 0 117 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.940 112.4 52.9 -54.6 -46.4 10.5 24.0 11.9 84 90 A F H X S+ 0 0 13 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.882 108.5 47.8 -55.8 -44.6 13.3 26.4 12.7 85 91 A M H < S+ 0 0 15 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.879 111.3 50.2 -69.5 -39.6 14.1 24.7 16.0 86 92 A D H >< S+ 0 0 104 -4,-2.4 3,-2.3 1,-0.2 4,-0.3 0.984 110.1 50.6 -59.5 -51.7 14.2 21.3 14.4 87 93 A A H 3< S+ 0 0 82 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.757 116.1 43.3 -57.3 -22.2 16.5 22.7 11.8 88 94 A S T 3X S+ 0 0 15 -4,-1.0 4,-4.0 -5,-0.2 -1,-0.3 0.343 78.0 113.9-103.4 5.8 18.6 24.1 14.6 89 95 A A T <4 S+ 0 0 54 -3,-2.3 -1,-0.1 -4,-0.4 -2,-0.1 0.735 78.6 46.6 -50.9 -33.6 18.5 21.0 16.8 90 96 A L T 4 S+ 0 0 169 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.906 129.6 18.7 -72.7 -50.1 22.3 20.3 16.4 91 97 A T T 4 S- 0 0 103 -3,-0.3 -2,-0.2 -4,-0.2 -1,-0.1 0.571 96.5-140.7-102.2 -16.7 23.6 23.8 17.0 92 98 A G < - 0 0 7 -4,-4.0 92,-0.1 -7,-0.2 -3,-0.1 0.206 35.0 -63.0 70.8 163.7 20.8 25.6 18.8 93 99 A I - 0 0 15 90,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.698 57.0-107.0 -88.7 127.8 19.8 29.2 18.3 94 100 A P >> - 0 0 81 0, 0.0 4,-2.0 0, 0.0 3,-1.5 -0.346 29.3-120.6 -50.0 134.1 22.3 31.8 19.1 95 101 A L H 3> S+ 0 0 66 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.853 110.3 58.9 -47.7 -49.8 21.3 33.6 22.3 96 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.6 0, 0.0 181,-0.3 0.824 109.1 44.8 -54.4 -33.2 21.1 37.0 20.7 97 103 A L H <> S+ 0 0 9 -3,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.883 111.4 52.6 -75.7 -35.9 18.5 35.7 18.3 98 104 A I H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.954 111.4 48.2 -60.4 -45.7 16.7 33.9 21.1 99 105 A K H X S+ 0 0 15 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.867 110.1 50.8 -66.2 -40.4 16.6 37.3 22.9 100 106 A S H X S+ 0 0 4 -4,-1.6 4,-2.6 -5,-0.2 5,-0.2 0.951 111.7 46.9 -60.2 -52.3 15.4 39.2 19.9 101 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.959 112.2 49.8 -54.4 -52.8 12.5 36.8 19.3 102 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.911 112.7 47.9 -53.5 -47.7 11.5 36.8 23.0 103 109 A F H X S+ 0 0 47 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.863 112.0 48.2 -59.6 -45.4 11.5 40.6 23.1 104 110 A Q H X S+ 0 0 8 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.911 112.0 50.1 -65.7 -37.7 9.5 40.9 19.9 105 111 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.897 108.0 52.8 -67.6 -37.0 7.0 38.4 21.2 106 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.809 106.1 53.8 -67.6 -30.6 6.6 40.2 24.4 107 113 A Q H X S+ 0 0 76 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.929 110.0 48.9 -66.9 -43.0 5.9 43.5 22.4 108 114 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.931 112.7 46.0 -57.7 -47.2 3.2 41.5 20.6 109 115 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.901 110.8 53.1 -64.2 -43.8 1.6 40.2 23.8 110 116 A A H X S+ 0 0 8 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.963 109.2 49.3 -59.8 -52.3 1.8 43.6 25.4 111 117 A F H X S+ 0 0 44 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.932 115.4 41.8 -47.1 -58.5 -0.0 45.2 22.6 112 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-1.1 0.898 115.0 51.1 -59.0 -43.9 -2.9 42.6 22.5 113 119 A H H ><5S+ 0 0 15 -4,-2.9 3,-2.5 1,-0.3 -1,-0.2 0.900 98.8 62.8 -66.6 -37.1 -3.1 42.5 26.3 114 120 A S H 3<5S+ 0 0 70 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.735 110.2 43.6 -58.7 -18.8 -3.4 46.3 26.6 115 121 A H T <<5S- 0 0 106 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.196 121.0-111.9-104.4 4.6 -6.6 45.7 24.5 116 122 A R T < 5S+ 0 0 157 -3,-2.5 2,-0.4 1,-0.2 -3,-0.2 0.720 72.8 136.3 69.8 24.4 -7.7 42.7 26.6 117 123 A V < - 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0 0 117 -2,-0.2 3,-1.2 1,-0.1 4,-0.5 -0.585 20.5-135.0 -75.9 144.1 16.8 24.9 40.7 235 248 A F H 3> S+ 0 0 19 1,-0.3 4,-2.3 2,-0.2 3,-0.2 0.707 102.7 75.1 -66.1 -24.8 16.4 26.6 37.3 236 249 A S H 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.863 103.3 40.8 -55.2 -31.8 20.2 26.4 36.9 237 250 A K H <4 S+ 0 0 124 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.652 113.1 54.7 -88.2 -20.6 19.4 22.7 36.2 238 251 A V H < S+ 0 0 31 -4,-0.5 -2,-0.2 -3,-0.2 -3,-0.1 0.826 128.1 11.3 -86.5 -35.3 16.3 23.4 34.0 239 252 A V S >< S+ 0 0 0 -4,-2.3 3,-2.7 1,-0.1 -1,-0.2 -0.164 84.6 178.6-134.0 48.4 17.7 25.7 31.4 240 253 A P T 3 + 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.477 69.5 45.3 -30.1 -58.6 21.4 25.3 32.1 241 254 A P T 3 S+ 0 0 104 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 0.797 88.7 110.7 -65.7 -22.5 23.4 27.4 29.7 242 255 A L S < S- 0 0 6 -3,-2.7 -3,-0.1 -61,-0.1 5,-0.0 -0.214 70.2-124.1 -55.4 132.9 21.0 30.3 30.3 243 256 A D > - 0 0 60 1,-0.1 4,-1.9 29,-0.0 5,-0.2 -0.128 28.4 -94.8 -71.0 176.0 22.6 33.2 32.2 244 257 A E H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.844 122.4 51.6 -64.3 -42.7 21.3 34.7 35.4 245 258 A D H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 27,-0.3 0.893 112.0 50.9 -62.6 -35.9 19.2 37.6 33.9 246 259 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.906 111.4 43.6 -67.5 -45.8 17.5 35.0 31.7 247 260 A R H X S+ 0 0 52 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.845 111.8 56.3 -69.4 -34.7 16.6 32.6 34.4 248 261 A S H X S+ 0 0 39 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.952 112.9 40.2 -60.6 -49.2 15.5 35.5 36.5 249 262 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.923 115.4 51.1 -65.7 -45.7 13.1 36.5 33.8 250 263 A L H >X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 3,-1.0 0.932 107.7 54.9 -55.3 -48.0 12.1 32.9 33.0 251 264 A S H 3< S+ 0 0 34 -4,-3.2 3,-0.5 1,-0.3 -1,-0.2 0.887 107.2 48.5 -56.4 -35.6 11.4 32.4 36.7 252 265 A Q H >< S+ 0 0 61 -4,-1.6 10,-2.2 1,-0.2 3,-0.5 0.716 107.7 55.9 -79.7 -18.8 9.0 35.4 36.8 253 266 A M H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-1.0 -76,-0.2 0.663 108.1 49.9 -81.5 -19.2 7.2 34.1 33.7 254 267 A L T 3< S+ 0 0 4 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.100 73.3 140.8-110.3 22.5 6.6 30.7 35.4 255 268 A H < - 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0 0 84 -181,-0.3 -2,-0.0 2,-0.0 -1,-0.0 -0.717 34.6-116.3-129.2-178.7 19.7 43.5 19.1 278 291 A K - 0 0 129 -2,-0.2 -181,-0.1 -178,-0.0 -144,-0.1 -0.775 36.0-178.4-125.1 81.0 17.9 42.2 16.0 279 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.248 25.3-121.9 -70.6 164.0 20.0 39.6 14.3 280 293 A V - 0 0 99 -147,-0.0 -148,-0.1 3,-0.0 2,-0.1 -0.931 25.0-131.8-105.4 143.0 18.9 37.9 11.1 281 294 A P - 0 0 16 0, 0.0 2,-0.7 0, 0.0 -148,-0.0 -0.407 17.1-114.0 -85.1 165.9 18.5 34.2 11.0 282 295 A H - 0 0 138 -2,-0.1 2,-0.4 2,-0.0 -151,-0.0 -0.913 44.2-173.6 -98.9 105.4 19.9 31.8 8.4 283 296 A L - 0 0 33 -2,-0.7 2,-0.7 -152,-0.1 -204,-0.0 -0.897 25.6-161.4-111.0 135.1 16.8 30.4 6.7 284 297 A R 0 0 203 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.940 360.0 360.0-106.4 104.3 16.4 27.7 4.1 285 298 A L 0 0 134 -2,-0.7 -1,-0.1 -206,-0.0 -2,-0.0 0.637 360.0 360.0 -90.7 360.0 13.0 28.2 2.6