==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN KINASE 05-AUG-97 1AQ1 . COMPND 2 MOLECULE: CYCLIN-DEPENDENT PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.ENDICOTT,M.E.M.NOBLE,L.N.JOHNSON,A.LAWRIE,P.TUNNAH, . 277 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 62.8 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 . 36 13.0 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 . 33 11.9 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 1 1 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 42 0, 0.0 3,-0.8 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -15.5 -13.5 30.9 -3.7 2 2 A E T 3 + 0 0 138 1,-0.2 0, 0.0 3,-0.1 0, 0.0 0.444 360.0 71.7 -90.0 -0.8 -13.3 30.5 -7.5 3 3 A N T 3 S+ 0 0 61 21,-0.1 21,-3.4 20,-0.0 2,-0.4 0.547 89.9 71.3 -84.7 -16.2 -10.8 33.3 -7.2 4 4 A F E < -A 23 0A 16 -3,-0.8 2,-0.6 19,-0.2 19,-0.2 -0.898 63.0-155.6-115.0 143.2 -8.2 31.0 -5.6 5 5 A Q E -A 22 0A 111 17,-2.3 17,-2.2 -2,-0.4 2,-0.4 -0.960 23.1-131.6-113.9 112.5 -6.1 28.2 -7.0 6 6 A K E +A 21 0A 122 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.538 25.6 179.7 -67.3 117.6 -4.9 25.7 -4.4 7 7 A V E - 0 0 71 13,-2.7 2,-0.3 -2,-0.4 14,-0.2 0.867 60.1 -27.4 -87.0 -45.6 -1.2 25.1 -5.0 8 8 A E E -A 20 0A 108 12,-1.9 12,-3.3 0, 0.0 2,-0.6 -0.933 58.4-101.1-170.2 151.2 -0.6 22.6 -2.2 9 9 A K E +A 19 0A 115 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.656 38.1 171.5 -74.9 118.2 -1.6 21.3 1.2 10 10 A I E - 0 0 77 8,-2.2 2,-0.3 -2,-0.6 9,-0.2 0.596 55.5 -9.9-109.3 -9.7 0.8 22.7 3.7 11 11 A G E -A 18 0A 25 7,-1.9 7,-3.3 2,-0.0 2,-0.7 -0.977 49.3-120.7-178.8 161.8 -0.8 21.8 7.0 12 12 A E E -A 17 0A 144 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.930 39.6-162.8-117.2 102.9 -3.7 20.4 9.0 13 13 A G - 0 0 26 3,-1.9 112,-0.0 -2,-0.7 -2,-0.0 -0.278 36.5 -97.0 -79.3 173.2 -4.8 23.0 11.5 14 14 A T S S+ 0 0 71 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.890 122.9 25.5 -56.8 -37.2 -6.9 22.7 14.6 15 15 A Y S S- 0 0 116 1,-0.3 2,-0.3 20,-0.0 -1,-0.2 0.699 129.1 -19.9-102.4 -28.5 -10.0 23.7 12.6 16 16 A G S S- 0 0 15 19,-0.2 -3,-1.9 -5,-0.0 -1,-0.3 -0.950 78.3 -67.1-168.7 175.2 -9.4 22.9 8.9 17 17 A V E -A 12 0A 40 17,-0.5 17,-1.9 -2,-0.3 2,-0.4 -0.407 42.2-143.3 -75.6 152.6 -6.8 22.1 6.3 18 18 A V E -AB 11 33A 28 -7,-3.3 -8,-2.2 15,-0.2 -7,-1.9 -0.985 19.4-176.1-120.8 128.9 -4.4 24.8 5.3 19 19 A Y E -AB 9 32A 45 13,-2.6 13,-4.2 -2,-0.4 2,-0.4 -0.918 29.6-123.6-121.4 153.9 -3.2 25.2 1.7 20 20 A K E +AB 8 31A 54 -12,-3.3 -13,-2.7 -2,-0.3 -12,-1.9 -0.750 48.1 169.7 -86.5 132.8 -0.7 27.4 -0.2 21 21 A A E -AB 6 30A 0 9,-2.7 9,-2.7 -2,-0.4 2,-0.5 -0.933 33.4-126.3-143.7 168.1 -2.8 29.0 -2.9 22 22 A R E -AB 5 29A 119 -17,-2.2 -17,-2.3 -2,-0.3 2,-0.7 -0.984 25.9-123.0-123.2 127.7 -2.6 31.8 -5.5 23 23 A N E > -A 4 0A 27 5,-2.9 4,-2.1 -2,-0.5 -19,-0.2 -0.607 29.9-140.6 -68.1 109.8 -5.2 34.5 -5.8 24 24 A K T 4 S+ 0 0 113 -21,-3.4 -1,-0.1 -2,-0.7 -20,-0.1 0.634 86.6 23.0 -51.8 -33.4 -6.3 33.9 -9.4 25 25 A L T 4 S+ 0 0 153 -22,-0.3 -1,-0.2 3,-0.0 -21,-0.1 0.711 128.1 41.3-109.4 -28.6 -6.7 37.5 -10.8 26 26 A T T 4 S- 0 0 105 2,-0.1 -2,-0.2 1,-0.0 -3,-0.0 0.591 96.8-133.8 -93.5 -16.3 -4.5 39.6 -8.4 27 27 A G < + 0 0 25 -4,-2.1 -3,-0.1 1,-0.2 -1,-0.0 0.218 48.6 145.8 86.6 -15.1 -1.6 37.2 -8.3 28 28 A E - 0 0 117 -6,-0.1 -5,-2.9 1,-0.1 2,-0.5 -0.138 45.2-134.1 -59.7 149.1 -0.7 37.0 -4.6 29 29 A V E +B 22 0A 29 -7,-0.2 46,-0.5 46,-0.1 2,-0.3 -0.928 40.0 167.3-101.4 124.7 0.5 33.7 -3.0 30 30 A V E -B 21 0A 3 -9,-2.7 -9,-2.7 -2,-0.5 2,-0.6 -0.831 41.8-109.2-132.7 174.6 -1.4 33.1 0.2 31 31 A A E -BC 20 73A 10 42,-2.5 42,-2.9 -2,-0.3 2,-0.6 -0.959 36.5-157.9-109.1 117.6 -2.1 30.5 2.9 32 32 A L E -BC 19 72A 1 -13,-4.2 -13,-2.6 -2,-0.6 2,-0.5 -0.877 7.7-168.1-109.0 122.2 -5.7 29.4 2.6 33 33 A K E -BC 18 71A 8 38,-3.1 38,-3.2 -2,-0.6 2,-0.6 -0.911 5.9-160.7-111.5 128.6 -7.6 27.8 5.6 34 34 A K E C 0 70A 81 -17,-1.9 -17,-0.5 -2,-0.5 36,-0.2 -0.917 360.0 360.0-109.0 110.6 -11.0 26.1 5.1 35 35 A I 0 0 71 34,-2.3 34,-0.7 -2,-0.6 -19,-0.2 -0.749 360.0 360.0 -80.3 360.0 -12.8 25.8 8.5 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 59 0, 0.0 5,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 128.7 -21.4 28.9 10.2 38 45 A P > - 0 0 93 0, 0.0 4,-1.9 0, 0.0 3,-0.2 -0.186 360.0-132.5 -51.4 138.6 -22.5 30.2 13.6 39 46 A S H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.864 106.7 58.3 -61.6 -37.3 -23.0 34.0 13.6 40 47 A T H > S+ 0 0 99 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.908 106.1 48.6 -58.9 -44.4 -21.0 34.3 16.8 41 48 A A H > S+ 0 0 33 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.919 110.0 52.4 -62.7 -43.5 -18.0 32.7 15.0 42 49 A I H X S+ 0 0 36 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.919 112.7 44.1 -58.6 -46.2 -18.5 35.1 12.1 43 50 A R H X S+ 0 0 163 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.921 114.4 49.8 -67.3 -41.4 -18.5 38.1 14.4 44 51 A E H X S+ 0 0 94 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.929 112.6 45.5 -62.7 -48.5 -15.5 36.8 16.4 45 52 A I H >X S+ 0 0 11 -4,-2.9 3,-1.3 2,-0.2 4,-1.0 0.903 108.9 56.8 -62.9 -41.4 -13.4 36.1 13.3 46 53 A S H >< S+ 0 0 40 -4,-2.1 3,-1.1 -5,-0.3 4,-0.5 0.931 103.8 54.4 -56.0 -42.0 -14.3 39.5 11.8 47 54 A L H 3< S+ 0 0 111 -4,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.687 100.6 60.6 -64.7 -20.5 -12.9 41.1 15.0 48 55 A L H X< S+ 0 0 22 -3,-1.3 3,-1.2 -4,-0.6 -1,-0.3 0.774 89.9 69.8 -80.0 -22.6 -9.6 39.2 14.4 49 56 A K T << S+ 0 0 78 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.757 99.2 49.0 -64.4 -27.2 -9.2 41.0 11.0 50 57 A E T 3 S+ 0 0 155 -4,-0.5 2,-1.4 -3,-0.4 -1,-0.3 0.440 85.8 92.5 -93.2 -1.5 -8.6 44.3 12.9 51 58 A L < + 0 0 17 -3,-1.2 2,-0.4 -4,-0.1 8,-0.1 -0.609 59.8 165.2 -92.1 75.0 -6.0 42.8 15.3 52 59 A N + 0 0 74 -2,-1.4 5,-0.1 6,-0.1 6,-0.1 -0.828 4.8 147.3-101.9 133.2 -2.9 43.6 13.2 53 60 A H > - 0 0 41 3,-0.5 3,-1.8 -2,-0.4 54,-0.0 -0.984 55.3-112.6-156.3 151.7 0.6 43.5 14.4 54 61 A P T 3 S+ 0 0 85 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.776 118.4 47.8 -56.7 -27.7 4.0 42.7 12.9 55 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.5 48,-0.1 2,-0.4 0.047 98.5 79.2-107.4 27.6 4.3 39.6 15.1 56 63 A I B < S-e 136 0B 8 -3,-1.8 -3,-0.5 79,-0.3 81,-0.2 -0.994 92.9-107.0-131.4 122.1 0.8 38.3 14.3 57 64 A V - 0 0 13 79,-2.5 2,-0.4 -2,-0.4 -2,-0.1 -0.246 44.5-108.8 -51.2 126.4 0.2 36.4 11.0 58 65 A K - 0 0 81 -4,-0.1 16,-2.2 1,-0.1 2,-1.0 -0.452 20.7-149.6 -65.6 122.1 -1.8 38.8 8.8 59 66 A L E -D 73 0A 14 -2,-0.4 14,-0.2 -11,-0.2 3,-0.1 -0.796 20.4-178.6 -87.5 98.3 -5.4 37.7 8.3 60 67 A L E - 0 0 61 12,-1.9 2,-0.3 -2,-1.0 13,-0.2 0.937 56.7 -8.5 -66.4 -57.8 -5.9 39.2 4.8 61 68 A D E -D 72 0A 83 11,-1.5 11,-2.9 2,-0.0 2,-0.5 -0.980 51.1-143.8-144.0 155.4 -9.6 38.3 4.1 62 69 A V E -D 71 0A 31 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.978 20.6-161.2-122.2 106.6 -12.4 36.3 5.6 63 70 A I E -D 70 0A 34 7,-2.8 7,-2.4 -2,-0.5 2,-0.9 -0.830 9.6-173.6 -99.7 117.5 -14.6 34.7 2.8 64 71 A H E +D 69 0A 90 -2,-0.7 2,-0.3 5,-0.2 3,-0.3 -0.696 27.2 159.1-106.4 78.9 -18.0 33.6 4.0 65 72 A T E > -D 68 0A 43 -2,-0.9 3,-2.6 3,-0.8 -2,-0.0 -0.762 56.2 -5.4-110.3 152.5 -19.2 31.8 0.9 66 73 A E T 3 S- 0 0 168 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.840 126.6 -58.3 35.1 51.8 -21.9 29.2 0.2 67 74 A N T 3 S+ 0 0 130 -3,-0.3 -1,-0.3 1,-0.2 2,-0.3 0.759 118.6 98.8 50.3 37.3 -22.5 28.9 4.0 68 75 A K E < - D 0 65A 78 -3,-2.6 -3,-0.8 -31,-0.1 2,-0.4 -0.922 67.9-117.5-140.9 163.2 -18.9 27.9 4.8 69 76 A L E + D 0 64A 6 -34,-0.7 -34,-2.3 -2,-0.3 2,-0.4 -0.901 22.6 179.5-116.7 129.4 -15.8 29.8 6.1 70 77 A Y E -CD 34 63A 26 -7,-2.4 -7,-2.8 -2,-0.4 2,-0.5 -0.984 12.4-155.8-124.5 129.2 -12.4 30.4 4.4 71 78 A L E -CD 33 62A 1 -38,-3.2 -38,-3.1 -2,-0.4 2,-0.7 -0.927 5.0-157.0-108.8 128.3 -9.6 32.4 6.0 72 79 A V E +CD 32 61A 0 -11,-2.9 -12,-1.9 -2,-0.5 -11,-1.5 -0.894 20.6 175.9-106.1 112.4 -7.0 34.0 3.7 73 80 A F E -CD 31 59A 40 -42,-2.9 -42,-2.5 -2,-0.7 -14,-0.2 -0.755 37.3 -93.1-110.6 166.0 -3.6 34.7 5.5 74 81 A E - 0 0 49 -16,-2.2 2,-0.4 -2,-0.3 -44,-0.2 -0.317 47.7-116.5 -66.8 154.1 -0.2 36.0 4.4 75 82 A F - 0 0 79 -46,-0.5 2,-0.2 -45,-0.1 -1,-0.1 -0.864 35.1-176.5-101.1 129.9 2.2 33.1 3.5 76 83 A L - 0 0 20 -2,-0.4 53,-0.2 53,-0.1 3,-0.1 -0.485 34.8-101.2-114.5-170.8 5.3 32.5 5.5 77 84 A H S S- 0 0 45 51,-1.6 2,-0.3 1,-0.3 52,-0.2 0.952 77.1 -50.8 -80.1 -54.1 8.4 30.2 5.4 78 85 A Q E -F 128 0B 25 50,-1.3 50,-2.9 4,-0.0 -1,-0.3 -0.961 59.5 -78.8-171.0 175.6 7.7 27.4 7.9 79 86 A D E > -F 127 0B 52 -2,-0.3 4,-1.6 48,-0.2 48,-0.3 -0.406 36.3-115.5 -88.7 167.6 6.7 26.8 11.6 80 87 A L H > S+ 0 0 0 46,-2.1 4,-3.1 43,-1.0 5,-0.2 0.844 112.4 61.8 -68.7 -35.8 9.0 27.0 14.6 81 88 A K H > S+ 0 0 51 42,-1.2 4,-2.7 45,-0.3 -1,-0.2 0.926 104.2 48.7 -56.6 -46.5 8.7 23.3 15.4 82 89 A K H > S+ 0 0 90 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.950 113.5 47.3 -59.7 -47.2 10.3 22.5 12.0 83 90 A F H X S+ 0 0 10 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.936 112.1 48.7 -60.1 -45.9 13.1 24.9 12.7 84 91 A M H < S+ 0 0 19 -4,-3.1 4,-0.4 2,-0.2 -1,-0.2 0.904 112.5 49.6 -60.8 -41.6 13.7 23.6 16.3 85 92 A D H >< S+ 0 0 93 -4,-2.7 3,-1.1 -5,-0.2 -2,-0.2 0.952 112.6 46.9 -61.6 -46.3 13.7 20.0 14.8 86 93 A A H 3< S+ 0 0 68 -4,-2.8 3,-0.4 1,-0.3 -2,-0.2 0.844 115.0 45.7 -66.2 -35.2 16.2 21.1 12.1 87 94 A S T >X S+ 0 0 23 -4,-2.5 4,-3.7 1,-0.2 3,-1.0 0.398 81.0 110.4 -87.9 3.3 18.5 22.9 14.6 88 95 A A T <4 S+ 0 0 43 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.1 0.685 71.2 54.1 -56.2 -26.5 18.4 20.1 17.2 89 96 A L T 34 S+ 0 0 164 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.802 128.0 15.6 -81.9 -29.3 22.0 19.0 16.8 90 97 A T T <4 S- 0 0 123 -3,-1.0 -2,-0.2 3,-0.0 -1,-0.1 0.605 104.6-129.7-114.3 -20.8 23.7 22.4 17.4 91 98 A G < - 0 0 16 -4,-3.7 -3,-0.1 -7,-0.2 87,-0.1 0.253 34.8 -63.6 83.3 150.5 20.8 24.3 18.9 92 99 A I - 0 0 13 85,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.494 63.3-101.0 -70.4 130.9 19.4 27.7 18.0 93 100 A P >> - 0 0 81 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.234 29.8-120.2 -48.4 142.7 22.0 30.5 18.5 94 101 A L H 3> S+ 0 0 68 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.884 111.0 55.1 -56.0 -46.2 21.4 32.4 21.7 95 102 A P H 3> S+ 0 0 66 0, 0.0 4,-1.8 0, 0.0 176,-0.4 0.791 109.8 47.9 -59.0 -27.7 20.9 35.8 20.0 96 103 A L H <> S+ 0 0 5 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.859 109.7 50.9 -81.7 -36.1 18.2 34.3 17.7 97 104 A I H X S+ 0 0 5 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.956 113.3 47.7 -62.7 -47.0 16.4 32.7 20.7 98 105 A K H X S+ 0 0 13 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.935 111.5 50.0 -58.9 -47.7 16.5 36.1 22.3 99 106 A S H X S+ 0 0 2 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.914 113.5 44.9 -56.8 -49.6 15.2 37.8 19.2 100 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.933 112.8 50.8 -63.6 -45.2 12.3 35.4 18.8 101 108 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.945 111.0 49.4 -57.1 -46.3 11.3 35.6 22.4 102 109 A F H X S+ 0 0 55 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.924 111.4 47.3 -60.5 -48.5 11.3 39.4 22.4 103 110 A Q H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.837 111.0 52.6 -63.1 -36.5 9.2 39.6 19.2 104 111 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.921 108.4 50.1 -67.0 -37.2 6.7 37.0 20.7 105 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.893 109.1 54.0 -66.9 -33.0 6.4 39.1 23.9 106 113 A Q H X S+ 0 0 67 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.970 109.5 45.7 -62.8 -52.1 5.8 42.1 21.6 107 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.874 115.9 46.8 -58.2 -37.6 2.9 40.4 19.8 108 115 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.4 0.916 106.7 56.4 -74.3 -37.3 1.4 39.1 23.2 109 116 A A H X S+ 0 0 25 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.939 111.3 46.9 -58.4 -38.7 1.8 42.6 24.8 110 117 A F H X S+ 0 0 49 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.949 114.6 43.2 -67.9 -52.3 -0.4 43.8 21.9 111 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-0.7 0.954 115.5 50.1 -55.5 -53.1 -3.0 41.1 22.1 112 119 A H H ><5S+ 0 0 28 -4,-3.3 3,-1.2 1,-0.3 -1,-0.2 0.821 103.7 58.3 -60.8 -30.6 -3.2 41.3 25.9 113 120 A S H 3<5S+ 0 0 70 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.857 109.1 46.5 -69.0 -29.3 -3.6 45.1 25.8 114 121 A H T <<5S- 0 0 86 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.293 121.8-111.6 -90.9 8.4 -6.7 44.5 23.7 115 122 A R T < 5S+ 0 0 193 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.778 75.1 134.1 68.0 25.7 -7.8 41.8 26.1 116 123 A V < - 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0 0 27 -3,-1.7 3,-0.1 -61,-0.4 -5,-0.0 -0.545 43.5-161.5 -71.2 138.8 -7.2 20.4 43.0 218 237 A K > - 0 0 100 -2,-0.2 3,-2.6 1,-0.1 -5,-0.1 -0.971 23.0-147.8-126.7 125.9 -6.8 17.3 45.2 219 238 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.807 101.2 63.8 -54.8 -30.3 -5.4 17.3 48.8 220 239 A S T 3 S+ 0 0 104 -3,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.371 71.6 126.7 -76.7 2.8 -4.1 13.8 48.0 221 240 A F S < S- 0 0 13 -3,-2.6 -19,-0.0 1,-0.1 -4,-0.0 -0.457 73.6-101.6 -61.4 133.9 -1.7 15.1 45.2 222 241 A P - 0 0 54 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.196 32.1-123.4 -53.3 148.2 1.8 13.9 46.0 223 242 A K + 0 0 171 -3,-0.1 2,-0.2 -22,-0.0 -25,-0.0 -0.785 36.4 175.6-103.3 92.8 4.1 16.5 47.6 224 243 A W - 0 0 80 -2,-0.9 -22,-2.1 -30,-0.0 2,-0.3 -0.554 26.0-121.9 -90.0 157.9 7.2 17.0 45.5 225 244 A A - 0 0 73 -24,-0.2 -24,-0.5 -2,-0.2 2,-0.1 -0.711 30.7 -99.8-100.1 152.6 9.9 19.6 46.2 226 245 A R - 0 0 112 -26,-0.3 -26,-0.2 -2,-0.3 2,-0.2 -0.459 32.7-144.6 -68.7 138.6 11.0 22.4 43.8 227 246 A Q - 0 0 75 -28,-3.2 2,-0.2 -2,-0.1 -1,-0.0 -0.550 27.2 -97.5 -94.4 169.2 14.2 21.8 41.8 228 247 A D >> - 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0 0 65 -3,-0.8 6,-0.2 1,-0.1 -3,-0.1 -0.345 54.4-135.2 -60.9 145.0 5.4 31.5 38.7 250 269 A Y S S+ 0 0 4 -50,-0.1 -97,-0.2 -43,-0.1 -1,-0.1 0.935 87.4 74.9 -69.3 -47.7 2.5 29.4 39.8 251 270 A D S >> S- 0 0 16 -44,-0.5 3,-2.4 1,-0.2 4,-2.0 -0.575 73.4-150.4 -74.0 118.9 0.2 32.3 40.8 252 271 A P T 34 S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.847 98.2 56.4 -57.1 -35.2 -1.1 33.9 37.6 253 272 A N T 34 S+ 0 0 152 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.608 111.6 43.5 -74.5 -10.2 -1.3 37.2 39.4 254 273 A K T <4 S+ 0 0 100 -3,-2.4 -1,-0.2 2,-0.1 3,-0.1 0.682 87.7 107.0-101.5 -31.1 2.4 36.9 40.2 255 274 A R S < S- 0 0 13 -4,-2.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.238 83.4-102.6 -50.7 130.2 3.5 35.7 36.8 256 275 A I - 0 0 21 -10,-1.9 2,-0.2 -13,-0.2 -1,-0.1 -0.209 35.8-122.8 -57.0 148.4 5.3 38.5 34.9 257 276 A S > - 0 0 42 1,-0.1 4,-2.4 -3,-0.1 5,-0.1 -0.548 20.2-112.0 -84.8 163.9 3.3 40.3 32.2 258 277 A A H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -149,-0.1 0.920 119.1 50.7 -61.2 -44.3 4.4 40.5 28.6 259 278 A K H > S+ 0 0 160 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.914 112.1 45.7 -63.6 -40.3 5.0 44.3 29.0 260 279 A A H >4 S+ 0 0 44 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.868 108.8 57.8 -68.6 -35.1 7.1 43.8 32.1 261 280 A A H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.912 98.1 59.8 -60.6 -40.6 9.0 41.0 30.4 262 281 A L H 3< S+ 0 0 44 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.773 104.9 50.5 -60.4 -26.7 10.1 43.3 27.5 263 282 A A T << S+ 0 0 86 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.398 82.3 120.9 -92.8 0.5 11.9 45.5 30.0 264 283 A H S X S- 0 0 17 -3,-1.9 3,-2.2 -4,-0.3 4,-0.1 -0.368 75.3-116.8 -65.6 145.0 13.8 42.7 31.7 265 284 A P G > S+ 0 0 53 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.707 106.7 77.3 -54.2 -25.9 17.6 43.0 31.6 266 285 A F G 3 S+ 0 0 1 1,-0.3 3,-0.4 -27,-0.3 -26,-0.1 0.767 94.2 51.6 -55.0 -29.5 18.0 39.8 29.5 267 286 A F G X S+ 0 0 15 -3,-2.2 3,-1.7 -6,-0.2 -1,-0.3 0.315 76.5 103.0 -94.7 10.4 16.8 41.9 26.5 268 287 A Q T < S+ 0 0 158 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.872 92.0 34.3 -58.8 -37.8 19.4 44.7 27.0 269 288 A D T 3 S+ 0 0 109 -3,-0.4 -1,-0.3 -4,-0.3 2,-0.1 0.000 86.7 149.0-107.4 28.9 21.5 43.4 24.1 270 289 A V < + 0 0 37 -3,-1.7 2,-0.2 -172,-0.1 -3,-0.1 -0.440 17.0 170.0 -68.4 137.6 18.7 42.1 21.9 271 290 A T - 0 0 82 -176,-0.4 -1,-0.0 -2,-0.1 -2,-0.0 -0.567 36.7-110.8-127.7-167.6 19.4 42.1 18.2 272 291 A K - 0 0 133 -2,-0.2 -176,-0.1 -173,-0.0 -139,-0.1 -0.682 38.0-179.3-137.1 81.6 17.7 40.8 15.0 273 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.272 29.7-112.1 -73.9 165.6 19.7 38.0 13.4 274 293 A V - 0 0 106 -2,-0.0 -143,-0.1 1,-0.0 -144,-0.1 -0.852 31.9-125.7-101.4 130.5 18.8 36.1 10.3 275 294 A P - 0 0 8 0, 0.0 2,-1.1 0, 0.0 -1,-0.0 -0.299 19.3-115.3 -68.7 156.1 17.9 32.4 10.7 276 295 A H + 0 0 179 -2,-0.0 2,-0.1 1,-0.0 -146,-0.0 -0.808 60.6 155.6 -93.6 93.6 19.7 29.8 8.7 277 296 A L - 0 0 31 -2,-1.1 2,-0.1 1,-0.2 -147,-0.0 -0.082 40.6 -86.3-105.8-158.7 16.8 28.5 6.7 278 297 A R 0 0 155 -2,-0.1 -1,-0.2 0, 0.0 -201,-0.0 -0.402 360.0 360.0-103.8-175.9 15.7 26.7 3.5 279 298 A L 0 0 192 -2,-0.1 -2,-0.1 -202,-0.0 -202,-0.0 0.645 360.0 360.0 86.9 360.0 15.1 28.1 0.0