==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-NOV-06 2J9M . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.SCHAEFER,U.LUECKING,G.SIEMEISTER,H.BRIEM,M.KRUEGER, . 275 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 61.5 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 13.5 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 . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 26.5 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 1 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 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 29 0, 0.0 3,-1.2 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -36.7 -13.0 31.0 -3.5 2 2 A E T 3 + 0 0 156 1,-0.2 22,-0.0 3,-0.1 0, 0.0 0.593 360.0 71.7 -58.4 -15.2 -13.1 30.4 -7.2 3 3 A N T 3 S+ 0 0 66 20,-0.1 21,-3.9 21,-0.1 22,-0.4 0.651 90.0 70.5 -74.8 -18.3 -10.4 33.1 -6.8 4 4 A F E < -A 23 0A 21 -3,-1.2 2,-0.6 19,-0.2 19,-0.2 -0.841 62.5-153.4-113.7 139.0 -7.9 30.8 -5.3 5 5 A Q E -A 22 0A 98 17,-2.6 17,-1.9 -2,-0.4 2,-0.3 -0.937 25.1-129.5-106.7 119.4 -5.8 27.9 -6.7 6 6 A K E +A 21 0A 83 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.529 28.2 177.8 -65.8 122.0 -4.8 25.3 -4.0 7 7 A V E - 0 0 61 13,-2.8 2,-0.3 1,-0.3 14,-0.2 0.879 58.2 -36.0 -94.1 -50.5 -1.0 24.9 -4.4 8 8 A E E -A 20 0A 109 12,-1.4 12,-3.7 0, 0.0 2,-0.5 -0.958 56.3 -95.7-168.0 160.6 -0.4 22.4 -1.6 9 9 A K E +A 19 0A 106 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.707 38.5 170.6 -78.8 121.0 -1.4 21.3 1.9 10 10 A I E - 0 0 79 8,-2.2 2,-0.3 -2,-0.5 9,-0.2 0.486 57.6 -12.3-112.7 -6.4 1.1 22.8 4.4 11 11 A G E -A 18 0A 25 7,-1.4 7,-3.0 2,-0.0 2,-0.3 -0.984 49.5-148.6-179.6 168.0 -0.5 22.0 7.7 12 12 A E E -A 17 0A 140 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.986 10.0-174.9-154.8 155.1 -3.5 20.8 9.8 13 13 A G - 0 0 42 3,-3.4 3,-0.3 -2,-0.3 -2,-0.0 -0.769 48.5 -81.8-142.7-179.8 -5.0 21.4 13.2 14 14 A T S S+ 0 0 103 1,-0.2 3,-0.1 -2,-0.2 0, 0.0 0.795 129.1 19.2 -65.6 -30.1 -7.8 20.1 15.3 15 15 A Y S S+ 0 0 196 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.275 125.7 43.8-123.6 7.5 -10.5 22.2 13.5 16 16 A G - 0 0 9 -3,-0.3 -3,-3.4 20,-0.1 2,-0.4 -0.990 52.7-147.0-155.5 153.1 -8.7 23.1 10.3 17 17 A V E -AB 12 34A 34 17,-1.9 17,-2.5 -2,-0.3 2,-0.4 -0.934 26.2-144.9-109.9 139.0 -6.5 22.2 7.3 18 18 A V E -AB 11 33A 27 -7,-3.0 -8,-2.2 -2,-0.4 -7,-1.4 -0.884 14.6-171.5-109.3 131.9 -4.1 24.8 5.8 19 19 A Y E -AB 9 32A 57 13,-3.2 13,-3.2 -2,-0.4 2,-0.4 -0.932 26.3-127.5-119.8 141.7 -3.2 25.1 2.2 20 20 A K E +AB 8 31A 52 -12,-3.7 -13,-2.8 -2,-0.4 -12,-1.4 -0.718 46.3 173.2 -74.2 138.9 -0.7 27.2 0.3 21 21 A A E -AB 6 30A 0 9,-2.0 9,-3.4 -2,-0.4 2,-0.4 -0.995 29.5-140.9-154.6 144.7 -2.7 29.0 -2.3 22 22 A R E -AB 5 29A 120 -17,-1.9 -17,-2.6 -2,-0.3 2,-0.5 -0.941 23.8-124.1-112.5 134.7 -2.4 31.7 -4.9 23 23 A N E > -A 4 0A 21 5,-3.4 4,-1.9 -2,-0.4 -19,-0.2 -0.673 17.3-146.6 -72.0 120.9 -5.0 34.3 -5.6 24 24 A K T 4 S+ 0 0 122 -21,-3.9 -1,-0.1 -2,-0.5 -20,-0.1 0.713 93.4 39.5 -64.3 -24.4 -5.8 34.0 -9.4 25 25 A L T 4 S+ 0 0 140 -22,-0.4 -1,-0.1 3,-0.1 -21,-0.0 0.914 125.4 28.8 -85.6 -79.1 -6.4 37.8 -9.7 26 26 A T T 4 S- 0 0 89 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.642 95.0-132.8 -56.3 -21.6 -3.8 39.6 -7.5 27 27 A G < + 0 0 44 -4,-1.9 -1,-0.1 1,-0.3 -3,-0.1 0.220 55.3 147.3 83.2 -14.5 -1.2 36.7 -8.0 28 28 A E - 0 0 91 -6,-0.1 -5,-3.4 1,-0.1 2,-0.5 -0.197 48.0-129.5 -63.5 141.3 -0.5 36.8 -4.2 29 29 A V E +B 22 0A 67 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.798 37.3 169.1 -89.1 127.4 0.4 33.6 -2.2 30 30 A V E -BC 21 74A 2 -9,-3.4 -9,-2.0 -2,-0.5 2,-0.6 -0.847 38.3-110.7-132.2 169.0 -1.7 33.2 0.9 31 31 A A E -BC 20 73A 12 42,-3.0 42,-3.0 -2,-0.3 2,-0.4 -0.936 32.5-158.9-104.3 124.0 -2.4 30.6 3.5 32 32 A L E -BC 19 72A 2 -13,-3.2 -13,-3.2 -2,-0.6 2,-0.5 -0.871 3.7-162.9-104.9 133.5 -5.9 29.2 3.2 33 33 A K E -BC 18 71A 27 38,-2.4 38,-2.5 -2,-0.4 2,-0.5 -0.973 3.1-159.7-120.3 112.0 -7.5 27.6 6.2 34 34 A K E -BC 17 70A 51 -17,-2.5 -17,-1.9 -2,-0.5 36,-0.2 -0.821 11.0-172.8 -88.4 128.7 -10.5 25.4 5.6 35 35 A I 0 0 44 34,-1.4 -1,-0.1 -2,-0.5 35,-0.1 0.973 360.0 360.0 -91.8 -70.0 -12.7 24.9 8.7 36 36 A R 0 0 130 33,-0.1 -20,-0.1 -20,-0.1 32,-0.1 0.627 360.0 360.0-110.8 360.0 -15.6 22.4 8.7 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 45 A P 0 0 91 0, 0.0 4,-0.4 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 55.3 -21.9 29.3 13.2 39 46 A S > + 0 0 82 2,-0.2 4,-1.1 1,-0.1 5,-0.1 0.790 360.0 51.0-104.9 -38.1 -22.8 32.9 14.1 40 47 A T H > S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.829 108.7 56.2 -70.6 -34.0 -21.1 34.0 17.3 41 48 A A H > S+ 0 0 27 1,-0.2 4,-4.0 2,-0.2 5,-0.3 0.848 98.8 63.9 -63.0 -36.9 -17.7 32.8 15.9 42 49 A I H > S+ 0 0 50 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.915 105.8 40.6 -55.1 -52.4 -18.3 35.2 12.8 43 50 A R H X S+ 0 0 164 -4,-1.1 4,-2.4 2,-0.2 5,-0.2 0.978 117.4 50.7 -60.2 -51.1 -18.2 38.4 14.9 44 51 A E H X S+ 0 0 85 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.903 112.7 44.7 -52.0 -51.2 -15.3 36.9 16.9 45 52 A I H >X S+ 0 0 13 -4,-4.0 4,-0.7 1,-0.2 3,-0.5 0.931 113.8 51.2 -59.2 -43.6 -13.3 36.0 13.8 46 53 A S H 3X S+ 0 0 42 -4,-2.5 4,-0.6 1,-0.3 -2,-0.2 0.755 104.5 56.2 -70.9 -24.5 -14.1 39.4 12.3 47 54 A L H 3< S+ 0 0 104 -4,-2.4 3,-0.5 1,-0.2 4,-0.4 0.785 101.4 58.3 -72.8 -27.5 -12.9 41.2 15.4 48 55 A L H << S+ 0 0 30 -4,-1.3 3,-0.4 -3,-0.5 11,-0.3 0.689 94.4 67.3 -72.2 -19.5 -9.6 39.4 14.9 49 56 A K H < S+ 0 0 60 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.829 93.7 56.8 -64.3 -34.5 -9.5 41.0 11.5 50 57 A E S < S+ 0 0 138 -4,-0.6 2,-0.8 -3,-0.5 -1,-0.2 0.726 81.4 107.1 -69.1 -19.2 -9.1 44.4 13.2 51 58 A L + 0 0 20 -3,-0.4 2,-0.6 -4,-0.4 8,-0.3 -0.462 48.4 176.5 -69.1 104.4 -6.0 43.0 15.0 52 59 A N + 0 0 125 -2,-0.8 5,-0.1 6,-0.1 -1,-0.1 -0.910 17.1 131.7-119.4 104.9 -3.1 44.8 13.2 53 60 A H > - 0 0 36 -2,-0.6 3,-1.7 3,-0.4 54,-0.0 -0.984 55.9-128.1-150.5 142.7 0.4 44.1 14.5 54 61 A P T 3 S+ 0 0 86 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.754 111.7 51.3 -63.7 -25.9 3.7 43.1 12.8 55 62 A N T 3 S+ 0 0 10 48,-0.1 81,-2.5 80,-0.1 2,-0.5 0.246 98.9 79.4 -95.5 13.8 4.2 40.2 15.1 56 63 A I B < S-e 136 0B 6 -3,-1.7 -3,-0.4 79,-0.2 81,-0.2 -0.985 88.5-117.8-118.5 125.2 0.7 38.8 14.5 57 64 A V - 0 0 10 79,-2.8 2,-0.3 -2,-0.5 81,-0.1 -0.387 40.6-119.8 -57.2 124.8 -0.0 36.9 11.3 58 65 A K - 0 0 96 -2,-0.1 16,-2.4 -4,-0.1 2,-0.8 -0.557 8.9-139.5 -77.9 130.0 -2.6 39.0 9.5 59 66 A L E -D 73 0A 13 -11,-0.3 14,-0.3 -2,-0.3 3,-0.1 -0.830 23.6-177.1 -78.9 109.5 -6.0 37.6 8.7 60 67 A L E - 0 0 43 12,-2.5 2,-0.3 -2,-0.8 -1,-0.2 0.981 57.9 -7.5 -75.2 -59.5 -6.5 39.0 5.2 61 68 A D E -D 72 0A 93 11,-1.1 11,-2.8 2,-0.0 2,-0.4 -0.943 51.2-142.9-140.1 157.9 -10.1 37.8 4.4 62 69 A V E -D 71 0A 31 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.978 19.6-168.5-118.7 131.9 -12.9 35.6 5.7 63 70 A I E -D 70 0A 36 7,-2.7 7,-3.3 -2,-0.4 2,-0.8 -0.950 7.6-168.4-132.4 114.5 -14.9 33.7 3.2 64 71 A H E +D 69 0A 89 -2,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.823 14.4 174.7-105.5 95.8 -18.2 31.9 4.1 65 72 A T - 0 0 44 3,-1.6 -2,-0.1 -2,-0.8 0, 0.0 -0.917 64.5 -46.4-112.2 128.1 -19.3 29.6 1.3 66 73 A E S S- 0 0 168 -2,-0.5 -1,-0.1 3,-0.0 3,-0.1 0.658 123.8 -35.0 10.3 63.8 -22.4 27.3 1.7 67 74 A N S S+ 0 0 106 1,-0.2 2,-0.1 -29,-0.0 -3,-0.0 0.787 112.9 97.4 58.5 120.1 -21.1 26.2 5.1 68 75 A K - 0 0 77 -32,-0.1 -3,-1.6 2,-0.0 2,-0.6 -0.047 63.0-137.8 127.2 109.5 -17.3 26.0 5.3 69 76 A L E - D 0 64A 4 -5,-0.2 -34,-1.4 -2,-0.1 2,-0.6 -0.890 15.8-160.5 -98.2 119.6 -15.5 28.9 6.7 70 77 A Y E -CD 34 63A 21 -7,-3.3 -7,-2.7 -2,-0.6 2,-0.5 -0.894 2.1-163.4-101.8 123.8 -12.3 29.9 4.8 71 78 A L E -CD 33 62A 12 -38,-2.5 -38,-2.4 -2,-0.6 2,-0.6 -0.931 4.3-156.7-107.8 127.6 -9.7 32.0 6.5 72 79 A V E -CD 32 61A 4 -11,-2.8 -12,-2.5 -2,-0.5 -11,-1.1 -0.916 17.7-179.8-110.3 114.2 -7.1 33.7 4.4 73 80 A F E -CD 31 59A 25 -42,-3.0 -42,-3.0 -2,-0.6 -14,-0.2 -0.794 35.7 -93.5-112.2 153.9 -3.9 34.5 6.2 74 81 A E E -C 30 0A 49 -16,-2.4 2,-0.4 -2,-0.3 -44,-0.1 -0.298 49.8-113.7 -59.0 147.9 -0.7 36.2 5.2 75 82 A F + 0 0 48 -46,-0.6 2,-0.3 -45,-0.0 -1,-0.1 -0.791 33.0 179.3-100.1 128.0 1.9 33.7 4.0 76 83 A L - 0 0 15 -2,-0.4 53,-0.1 53,-0.1 3,-0.0 -0.928 30.6-127.7-123.0 152.3 5.2 33.0 5.9 77 84 A H S S+ 0 0 92 51,-0.4 2,-0.3 -2,-0.3 52,-0.1 0.561 78.0 12.1 -87.6 -7.0 7.7 30.4 4.7 78 85 A Q E -F 128 0B 15 50,-0.9 50,-2.3 199,-0.1 2,-0.2 -0.991 59.5-130.4-161.9 154.5 8.2 28.3 7.8 79 86 A D E > -F 127 0B 38 -2,-0.3 4,-1.8 48,-0.2 48,-0.2 -0.645 32.2-111.8-106.0 169.4 7.0 27.5 11.3 80 87 A L H > S+ 0 0 0 46,-2.0 4,-3.3 43,-1.2 44,-0.2 0.838 112.8 55.4 -74.1 -34.0 9.0 27.3 14.6 81 88 A K H > S+ 0 0 95 42,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.923 110.3 47.3 -61.8 -45.6 8.7 23.5 15.1 82 89 A K H > S+ 0 0 125 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.885 113.9 48.5 -62.9 -37.4 10.2 23.0 11.6 83 90 A F H X S+ 0 0 10 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.891 111.9 48.6 -73.1 -37.3 12.9 25.5 12.5 84 91 A M H < S+ 0 0 18 -4,-3.3 3,-0.4 2,-0.2 -2,-0.2 0.922 111.5 48.9 -63.6 -44.0 13.6 23.8 15.8 85 92 A D H >< S+ 0 0 99 -4,-2.9 3,-1.4 1,-0.2 4,-0.2 0.928 111.1 51.0 -63.8 -42.1 13.8 20.4 14.2 86 93 A A H 3< S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.740 114.2 43.8 -63.3 -26.3 16.1 21.8 11.5 87 94 A S T 3X S+ 0 0 15 -4,-1.2 4,-3.1 -3,-0.4 -1,-0.2 0.185 81.3 116.5-101.2 15.4 18.4 23.3 14.3 88 95 A A T <4 S+ 0 0 48 -3,-1.4 -1,-0.1 1,-0.2 -2,-0.1 0.782 78.4 35.9 -56.0 -39.7 18.3 20.2 16.5 89 96 A L T 4 S+ 0 0 173 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.820 128.8 30.7 -87.6 -36.3 22.0 19.3 16.4 90 97 A T T 4 S- 0 0 118 -4,-0.2 -2,-0.2 3,-0.0 -3,-0.1 0.790 101.5-128.6 -98.0 -29.9 23.6 22.7 16.4 91 98 A G < - 0 0 11 -4,-3.1 -3,-0.1 -7,-0.2 85,-0.1 0.280 23.9 -83.7 91.1 139.3 21.1 24.9 18.4 92 99 A I - 0 0 14 83,-0.4 5,-0.1 1,-0.1 2,-0.0 -0.675 58.1-105.8 -70.0 127.4 19.4 28.2 17.6 93 100 A P >> - 0 0 80 0, 0.0 4,-1.8 0, 0.0 3,-1.6 -0.325 23.8-120.8 -58.5 136.2 21.9 30.9 18.6 94 101 A L H 3> S+ 0 0 70 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.838 110.8 58.5 -47.6 -47.0 21.0 32.8 21.8 95 102 A P H 3> S+ 0 0 67 0, 0.0 4,-2.0 0, 0.0 174,-0.4 0.861 109.3 46.1 -51.7 -35.8 20.7 36.2 20.1 96 103 A L H <> S+ 0 0 5 -3,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.899 110.8 50.5 -77.7 -39.6 18.1 34.8 17.8 97 104 A I H X S+ 0 0 7 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.931 111.3 50.7 -56.7 -47.0 16.2 33.1 20.7 98 105 A K H X S+ 0 0 12 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.933 111.6 47.0 -58.5 -48.6 16.2 36.4 22.5 99 106 A S H X S+ 0 0 5 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.935 111.0 51.1 -59.0 -51.8 14.9 38.3 19.5 100 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.919 111.8 46.8 -52.4 -51.0 12.2 35.8 18.9 101 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.932 111.2 52.5 -57.2 -49.2 10.9 35.9 22.5 102 109 A F H X S+ 0 0 47 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.920 112.4 44.7 -51.1 -48.5 11.0 39.7 22.5 103 110 A Q H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.890 112.8 50.2 -66.5 -41.2 8.9 39.9 19.3 104 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.911 110.2 50.4 -65.5 -43.2 6.4 37.3 20.5 105 112 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.807 108.3 54.0 -60.9 -32.5 6.1 39.2 23.8 106 113 A Q H X S+ 0 0 75 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.931 109.3 48.1 -66.5 -44.1 5.4 42.3 21.6 107 114 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.949 114.5 45.2 -56.5 -52.1 2.7 40.4 19.9 108 115 A L H X S+ 0 0 0 -4,-2.8 4,-3.7 2,-0.2 5,-0.3 0.918 108.9 55.1 -60.0 -46.6 1.2 39.2 23.2 109 116 A A H X S+ 0 0 21 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.922 112.0 46.5 -54.3 -44.3 1.4 42.7 24.8 110 117 A F H X S+ 0 0 52 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.942 116.5 41.2 -59.5 -53.5 -0.6 44.0 21.8 111 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-1.3 0.936 115.1 52.7 -63.2 -46.6 -3.3 41.3 21.8 112 119 A H H ><5S+ 0 0 25 -4,-3.7 3,-1.8 1,-0.3 -1,-0.2 0.841 102.0 56.8 -62.3 -34.0 -3.5 41.4 25.6 113 120 A S H 3<5S+ 0 0 89 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.662 107.7 52.0 -72.3 -13.4 -4.0 45.2 25.8 114 121 A H T <<5S- 0 0 101 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.117 120.2-112.1-106.2 20.2 -7.0 44.5 23.5 115 122 A R T < 5S+ 0 0 223 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.838 75.6 134.2 53.4 36.0 -8.4 41.9 25.8 116 123 A V < - 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0 0 19 -3,-1.6 3,-0.1 -61,-0.4 -5,-0.0 -0.430 43.6-161.0 -65.3 141.7 -7.7 20.1 42.3 216 237 A K > - 0 0 101 1,-0.1 3,-2.7 -2,-0.1 -2,-0.1 -0.973 26.1-150.1-130.5 123.9 -7.2 17.0 44.4 217 238 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.740 100.2 71.2 -56.0 -20.0 -5.8 16.8 47.9 218 239 A S T 3 + 0 0 104 -3,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.568 69.5 121.8 -72.3 -10.6 -4.7 13.3 46.7 219 240 A F S < S- 0 0 13 -3,-2.7 -19,-0.0 1,-0.1 -4,-0.0 -0.233 72.6-107.4 -47.5 135.4 -2.0 14.8 44.3 220 241 A P - 0 0 53 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.361 30.3-122.6 -59.3 147.9 1.5 13.6 45.1 221 242 A K - 0 0 121 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.836 33.0-174.9 -99.3 101.5 3.7 16.2 46.7 222 243 A W - 0 0 83 -2,-0.8 -22,-2.0 -21,-0.0 2,-0.2 -0.776 25.8-117.4 -95.3 142.8 6.9 16.8 44.6 223 244 A A - 0 0 66 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.2 -0.556 35.2-106.4 -69.7 135.2 9.8 19.0 45.7 224 245 A R - 0 0 115 -26,-0.3 2,-0.3 -2,-0.2 -26,-0.2 -0.483 45.7-131.9 -56.3 127.8 10.4 22.0 43.5 225 246 A Q - 0 0 84 -28,-1.8 5,-0.1 -2,-0.2 -1,-0.1 -0.651 28.9 -77.7 -89.6 144.4 13.6 21.0 41.6 226 247 A D > - 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0 0 85 -174,-0.4 -2,-0.0 -2,-0.2 -1,-0.0 -0.703 36.0-112.0-134.6-172.9 19.1 42.6 18.6 270 291 A K + 0 0 133 -2,-0.2 -174,-0.1 -171,-0.1 2,-0.1 -0.654 39.4 165.3-132.3 74.4 17.6 41.4 15.4 271 292 A P - 0 0 39 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.348 32.2-120.4 -78.2 169.1 19.6 38.7 13.6 272 293 A V - 0 0 90 -2,-0.1 2,-0.1 -140,-0.0 -141,-0.1 -0.788 19.9-121.2-107.5 154.9 18.2 36.6 10.8 273 294 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 -141,-0.0 -0.458 19.9-119.6 -80.1 162.8 17.8 32.8 10.7 274 295 A H - 0 0 182 -2,-0.1 2,-0.3 2,-0.0 -144,-0.0 -0.929 44.2-175.8 -93.9 105.9 19.4 30.6 8.1 275 296 A L - 0 0 19 -2,-0.8 2,-0.5 -145,-0.1 -197,-0.0 -0.741 25.5-152.8 -98.8 149.9 16.3 29.0 6.6 276 297 A R 0 0 228 -2,-0.3 -2,-0.0 0, 0.0 -190,-0.0 -0.919 360.0 360.0-119.5 100.3 16.1 26.3 3.9 277 298 A L 0 0 122 -2,-0.5 -199,-0.1 -199,-0.0 -200,-0.0 -0.446 360.0 360.0 -85.7 360.0 12.8 27.0 2.2