==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 25-MAR-11 3R9O . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 282 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 63.1 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 13.1 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 26.2 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 3 0 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 58 0, 0.0 5,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-157.7 -79.1 -92.2 -11.7 2 2 A E + 0 0 175 1,-0.1 22,-0.0 3,-0.1 0, 0.0 0.693 360.0 52.1 -99.5 -26.0 -79.7 -95.8 -12.8 3 3 A N S S+ 0 0 92 20,-0.0 21,-1.7 21,-0.0 2,-0.4 0.597 108.7 62.7 -84.9 -13.3 -77.8 -95.5 -16.2 4 4 A F E S-A 23 0A 19 19,-0.2 2,-1.0 20,-0.1 19,-0.2 -0.915 74.0-140.0-119.1 143.1 -74.8 -94.1 -14.4 5 5 A Q E -A 22 0A 84 17,-1.9 17,-0.6 -2,-0.4 2,-0.3 -0.777 25.4-136.5-100.4 89.1 -72.5 -95.6 -11.8 6 6 A K E +A 21 0A 93 -2,-1.0 15,-0.2 -5,-0.3 3,-0.1 -0.240 26.8 179.5 -48.5 104.2 -71.8 -92.7 -9.4 7 7 A V E - 0 0 61 13,-2.6 2,-0.3 1,-0.3 14,-0.2 0.953 58.0 -28.6 -74.3 -53.9 -68.0 -93.2 -8.9 8 8 A E E -A 20 0A 122 12,-1.2 12,-3.2 0, 0.0 2,-0.7 -0.985 59.6 -99.6-159.5 164.1 -67.5 -90.3 -6.5 9 9 A K E -A 19 0A 126 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.816 32.4-173.7 -89.3 118.0 -68.6 -86.8 -5.4 10 10 A I E - 0 0 68 8,-1.9 2,-0.3 -2,-0.7 9,-0.2 0.186 54.3 -62.8-101.2 19.2 -66.3 -84.4 -7.1 11 11 A G E -A 18 0A 27 7,-0.5 7,-0.7 2,-0.0 2,-0.2 -0.961 56.1 -73.8 143.7-161.0 -67.6 -81.3 -5.5 12 12 A E - 0 0 129 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.601 28.3-157.5-127.8-172.2 -70.6 -79.0 -5.0 13 13 A G - 0 0 32 -2,-0.2 -2,-0.0 4,-0.0 125,-0.0 -0.972 35.7-106.6-164.8 163.1 -72.5 -76.4 -7.0 14 14 A T S S+ 0 0 68 -2,-0.3 3,-0.1 1,-0.2 136,-0.0 0.532 123.6 23.3 -75.6 -5.6 -74.8 -73.4 -6.4 15 15 A Y S S- 0 0 54 1,-0.4 21,-1.5 19,-0.0 2,-0.3 0.457 133.5 -18.9-132.2 -14.5 -77.7 -75.5 -7.7 16 16 A G - 0 0 17 19,-0.2 -1,-0.4 20,-0.1 2,-0.2 -0.982 68.7 -80.8 179.7 171.8 -76.6 -79.0 -7.0 17 17 A V - 0 0 33 17,-0.4 17,-1.9 -2,-0.3 2,-0.4 -0.630 36.4-137.1 -91.3 149.1 -73.7 -81.5 -6.4 18 18 A V E -AB 11 33A 26 -7,-0.7 -8,-1.9 -2,-0.2 -7,-0.5 -0.896 18.7-169.3-110.9 134.9 -71.5 -82.9 -9.1 19 19 A Y E -AB 9 32A 52 13,-2.7 13,-3.3 -2,-0.4 2,-0.5 -0.847 25.4-123.1-119.1 156.8 -70.5 -86.6 -9.3 20 20 A K E +AB 8 31A 58 -12,-3.2 -13,-2.6 -2,-0.3 -12,-1.2 -0.855 46.3 173.1 -94.3 129.8 -68.0 -88.5 -11.4 21 21 A A E -AB 6 30A 0 9,-3.1 9,-3.7 -2,-0.5 2,-0.4 -0.972 31.3-136.5-142.2 158.3 -69.9 -91.2 -13.2 22 22 A R E -AB 5 29A 90 -17,-0.6 -17,-1.9 -2,-0.3 2,-1.4 -0.944 28.8-120.0-114.9 133.8 -69.5 -93.9 -15.8 23 23 A N E > -A 4 0A 26 5,-3.1 4,-2.6 -2,-0.4 5,-0.3 -0.606 26.1-143.5 -71.5 96.0 -72.2 -94.4 -18.5 24 24 A K T 4 S+ 0 0 143 -21,-1.7 -1,-0.2 -2,-1.4 -20,-0.1 0.502 95.1 32.7 -43.4 -4.9 -72.9 -98.0 -17.5 25 25 A L T 4 S+ 0 0 149 -22,-0.3 -1,-0.2 3,-0.1 -2,-0.1 0.713 123.4 37.4-117.4 -57.1 -73.4 -98.7 -21.2 26 26 A T T 4 S- 0 0 74 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.459 94.0-135.6 -79.0 0.4 -71.0 -96.5 -23.3 27 27 A G < + 0 0 44 -4,-2.6 -3,-0.1 1,-0.2 -1,-0.1 0.480 54.6 145.1 60.5 0.2 -68.3 -96.9 -20.6 28 28 A E - 0 0 74 -5,-0.3 -5,-3.1 -6,-0.1 2,-0.5 -0.401 47.3-133.1 -71.5 147.9 -67.6 -93.2 -20.9 29 29 A V E +B 22 0A 56 -7,-0.2 46,-0.7 -3,-0.1 -7,-0.3 -0.886 36.3 166.1-102.3 128.2 -66.7 -91.3 -17.7 30 30 A V E -BC 21 74A 0 -9,-3.7 -9,-3.1 -2,-0.5 2,-0.6 -0.817 41.3-110.4-136.0 174.8 -68.5 -88.0 -17.1 31 31 A A E -BC 20 73A 11 42,-2.5 42,-2.9 -2,-0.3 2,-0.6 -0.957 35.2-158.0-107.4 123.3 -69.3 -85.3 -14.6 32 32 A L E -BC 19 72A 2 -13,-3.3 -13,-2.7 -2,-0.6 2,-0.6 -0.917 5.1-163.4-111.6 122.3 -73.0 -85.5 -13.6 33 33 A K E -BC 18 71A 16 38,-3.2 38,-2.4 -2,-0.6 2,-0.6 -0.902 4.1-158.7-107.5 115.4 -74.7 -82.5 -12.1 34 34 A K E - C 0 70A 82 -17,-1.9 -17,-0.4 -2,-0.6 2,-0.4 -0.823 9.0-155.7 -94.6 121.6 -78.0 -83.1 -10.3 35 35 A I E C 0 69A 10 34,-4.0 34,-1.3 -2,-0.6 -19,-0.2 -0.792 360.0 360.0 -98.5 140.6 -80.2 -80.1 -10.0 36 36 A R 0 0 230 -21,-1.5 -1,-0.1 -2,-0.4 -20,-0.1 0.957 360.0 360.0 -50.5 360.0 -82.8 -79.7 -7.2 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 0 111 0, 0.0 4,-0.2 0, 0.0 106,-0.0 0.000 360.0 360.0 360.0-141.9 -88.7 -72.7 -14.8 39 46 A S > + 0 0 86 2,-0.1 4,-2.6 3,-0.1 5,-0.3 0.654 360.0 60.3-113.6 -39.7 -89.1 -73.1 -18.5 40 47 A T H > S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.825 106.1 52.3 -59.1 -30.5 -87.0 -70.2 -19.6 41 48 A A H > S+ 0 0 3 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.931 105.7 53.7 -69.7 -46.4 -84.2 -72.1 -17.8 42 49 A I H > S+ 0 0 71 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.942 114.4 40.0 -51.8 -53.9 -85.0 -75.3 -19.7 43 50 A R H X S+ 0 0 201 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.837 112.5 56.5 -67.3 -33.1 -84.7 -73.5 -23.0 44 51 A E H X S+ 0 0 24 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.851 102.0 55.7 -66.9 -34.5 -81.6 -71.5 -21.8 45 52 A I H X S+ 0 0 4 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.842 101.4 60.1 -64.9 -31.4 -79.9 -74.8 -21.0 46 53 A S H X S+ 0 0 53 -4,-1.0 4,-1.1 -5,-0.2 -1,-0.2 0.867 99.6 54.8 -63.8 -37.2 -80.5 -75.7 -24.6 47 54 A L H >< S+ 0 0 102 -4,-1.1 3,-0.8 1,-0.2 -1,-0.2 0.943 106.8 51.1 -61.4 -46.3 -78.5 -72.7 -25.7 48 55 A L H >< S+ 0 0 28 -4,-1.5 3,-1.5 1,-0.2 11,-0.3 0.843 102.5 59.8 -59.2 -36.5 -75.6 -73.9 -23.6 49 56 A K H 3< S+ 0 0 71 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.814 107.7 45.2 -63.8 -31.4 -75.7 -77.4 -25.1 50 57 A E T << S+ 0 0 127 -4,-1.1 2,-1.2 -3,-0.8 -1,-0.3 0.286 88.6 102.1 -94.0 9.1 -75.1 -75.9 -28.6 51 58 A L < + 0 0 11 -3,-1.5 2,-0.5 -5,-0.1 8,-0.2 -0.710 51.9 170.6 -95.5 84.7 -72.3 -73.7 -27.1 52 59 A N + 0 0 87 -2,-1.2 5,-0.1 6,-0.1 -3,-0.0 -0.861 9.5 137.6-106.4 122.9 -69.2 -75.6 -28.2 53 60 A H > - 0 0 39 -2,-0.5 3,-2.1 3,-0.4 -2,-0.0 -0.979 59.1-112.3-157.0 145.3 -65.6 -74.2 -27.8 54 61 A P T 3 S+ 0 0 90 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.679 117.1 48.4 -56.4 -18.6 -62.3 -75.7 -26.7 55 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.7 78,-0.1 2,-0.4 0.128 98.0 78.7-111.5 20.9 -62.3 -73.6 -23.6 56 63 A I B < S-e 136 0B 7 -3,-2.1 -3,-0.4 79,-0.3 81,-0.2 -0.998 87.9-113.9-127.5 127.1 -65.8 -74.4 -22.5 57 64 A V - 0 0 11 79,-2.7 2,-0.3 -2,-0.4 -2,-0.1 -0.393 40.9-116.2 -59.4 126.4 -66.7 -77.7 -20.7 58 65 A K - 0 0 102 -2,-0.1 16,-2.3 -4,-0.1 2,-0.8 -0.502 15.1-141.9 -72.5 129.1 -69.0 -79.5 -23.2 59 66 A L E +D 73 0A 8 -11,-0.3 14,-0.3 -2,-0.3 3,-0.1 -0.835 24.0 179.7 -89.3 110.6 -72.5 -80.2 -22.0 60 67 A L E + 0 0 30 12,-2.5 2,-0.3 -2,-0.8 13,-0.2 0.935 56.3 3.4 -79.7 -53.4 -73.2 -83.7 -23.3 61 68 A D E -D 72 0A 67 11,-1.4 11,-3.1 2,-0.0 2,-0.5 -0.968 52.2-153.4-138.7 154.0 -76.7 -84.6 -22.2 62 69 A V E -D 71 0A 53 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.989 16.0-169.6-128.2 117.4 -79.6 -82.9 -20.4 63 70 A I E -D 70 0A 40 7,-3.1 7,-3.0 -2,-0.5 2,-0.7 -0.934 9.2-178.3-118.2 115.9 -82.0 -85.2 -18.6 64 71 A H E +D 69 0A 107 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.913 29.7 137.3-110.5 102.3 -85.3 -83.9 -17.1 65 72 A T E > +D 68 0A 52 3,-1.6 3,-1.2 -2,-0.7 -2,-0.1 -0.965 58.0 18.4-144.4 160.7 -87.1 -86.8 -15.4 66 73 A E T 3 S- 0 0 167 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.873 128.9 -68.4 44.7 39.1 -89.0 -87.4 -12.2 67 74 A N T 3 S+ 0 0 146 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.928 115.0 113.4 42.8 57.3 -89.3 -83.7 -12.2 68 75 A K E < - 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0 0 7 -4,-4.0 -3,-0.1 -7,-0.2 92,-0.1 0.107 35.3 -70.6 86.7 153.0 -46.2 -70.9 -7.8 92 99 A I - 0 0 11 90,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.661 62.7-103.3 -77.6 132.6 -47.6 -71.6 -11.2 93 100 A P >> - 0 0 80 0, 0.0 4,-2.2 0, 0.0 3,-1.2 -0.301 26.9-119.7 -58.4 141.0 -45.0 -70.7 -13.8 94 101 A L H 3> S+ 0 0 67 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.879 111.3 56.7 -50.2 -44.7 -45.7 -67.4 -15.6 95 102 A P H 3> S+ 0 0 67 0, 0.0 4,-2.0 0, 0.0 181,-0.4 0.863 111.0 44.5 -58.4 -31.8 -46.0 -69.0 -19.1 96 103 A L H <> S+ 0 0 4 -3,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.869 111.6 51.7 -78.4 -37.6 -48.7 -71.3 -17.8 97 104 A I H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.941 113.0 47.4 -61.1 -45.1 -50.5 -68.5 -16.0 98 105 A K H X S+ 0 0 14 -4,-3.3 4,-2.5 -5,-0.2 -2,-0.2 0.907 111.1 50.2 -62.8 -43.8 -50.4 -66.6 -19.2 99 106 A S H X S+ 0 0 3 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.929 111.9 47.9 -60.1 -47.0 -51.6 -69.6 -21.2 100 107 A Y H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.912 112.7 47.4 -62.4 -44.8 -54.5 -70.2 -18.8 101 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.943 111.8 51.0 -61.6 -46.0 -55.6 -66.5 -18.8 102 109 A F H X S+ 0 0 53 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.905 112.6 46.3 -57.5 -45.1 -55.4 -66.3 -22.6 103 110 A Q H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.893 111.0 50.9 -67.3 -41.5 -57.5 -69.4 -23.0 104 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.872 109.2 52.1 -64.8 -36.8 -60.1 -68.3 -20.5 105 112 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.857 108.4 51.3 -65.1 -35.4 -60.4 -65.0 -22.3 106 113 A Q H X S+ 0 0 68 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.926 111.3 48.0 -66.3 -43.7 -61.0 -66.9 -25.6 107 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.921 114.9 45.0 -61.2 -45.2 -63.7 -68.9 -23.8 108 115 A L H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.914 109.4 54.7 -66.8 -42.3 -65.2 -65.7 -22.5 109 116 A A H X S+ 0 0 25 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.920 111.4 47.2 -57.0 -40.7 -64.9 -63.9 -25.8 110 117 A F H X S+ 0 0 50 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.954 114.5 44.7 -64.3 -51.4 -66.9 -66.8 -27.4 111 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-3.2 1,-0.2 3,-0.7 0.927 114.7 48.9 -57.8 -48.6 -69.6 -66.8 -24.7 112 119 A H H ><5S+ 0 0 28 -4,-3.2 3,-1.3 1,-0.3 -1,-0.2 0.819 106.2 55.9 -63.8 -32.8 -70.0 -63.1 -24.7 113 120 A S H 3<5S+ 0 0 83 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.729 109.7 48.0 -72.5 -20.1 -70.2 -63.0 -28.5 114 121 A H T <<5S- 0 0 101 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.202 122.0-110.1-103.0 16.3 -73.1 -65.4 -28.2 115 122 A R T < 5S+ 0 0 221 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.786 73.1 139.6 61.2 32.9 -74.7 -63.2 -25.4 116 123 A V < - 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0 0 59 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.145 34.2 -95.1 -66.1 170.1 -44.3 -57.4 -15.0 243 257 A E H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.792 123.3 54.4 -62.3 -30.9 -45.7 -54.1 -16.3 244 258 A D H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.918 112.1 45.9 -67.1 -42.8 -47.6 -55.7 -19.3 245 259 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.927 113.8 48.1 -64.0 -46.0 -49.4 -58.0 -16.9 246 260 A R H X S+ 0 0 42 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.888 110.4 51.3 -64.1 -39.3 -50.1 -55.2 -14.4 247 261 A S H X S+ 0 0 38 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.918 112.2 46.6 -65.7 -39.6 -51.5 -52.9 -17.1 248 262 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 3,-0.3 0.956 112.5 50.6 -65.1 -47.0 -53.8 -55.7 -18.4 249 263 A L H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 3,-0.3 0.914 106.7 55.0 -57.4 -42.0 -54.9 -56.5 -14.8 250 264 A S H < S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.2 3,-0.2 0.883 107.9 49.0 -61.2 -35.8 -55.7 -52.8 -14.2 251 265 A Q H >< S+ 0 0 71 -4,-1.6 10,-2.0 -3,-0.3 3,-0.7 0.791 109.0 52.4 -73.7 -27.4 -58.0 -52.7 -17.2 252 266 A M H 3< S+ 0 0 0 -4,-1.7 -76,-0.2 -3,-0.3 -1,-0.2 0.688 112.9 46.5 -77.8 -19.6 -59.8 -55.9 -16.1 253 267 A L T 3< S+ 0 0 1 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.099 75.4 137.0-110.0 18.8 -60.4 -54.3 -12.7 254 268 A H < - 0 0 64 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.451 55.4-133.7 -61.9 142.2 -61.6 -50.8 -13.8 255 269 A Y S S+ 0 0 14 -50,-0.1 -97,-0.2 -2,-0.1 -1,-0.1 0.946 87.5 77.5 -64.0 -49.4 -64.5 -49.9 -11.6 256 270 A D S >> S- 0 0 16 -44,-0.5 3,-2.1 1,-0.2 4,-2.0 -0.509 73.2-149.4 -69.0 112.9 -66.7 -48.6 -14.4 257 271 A P T 34 S+ 0 0 23 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.810 99.8 57.3 -50.0 -32.3 -68.2 -51.7 -16.2 258 272 A N T 34 S+ 0 0 149 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.743 109.7 41.4 -71.6 -27.5 -68.1 -49.5 -19.4 259 273 A K T <4 S+ 0 0 98 -3,-2.1 -1,-0.2 2,-0.1 3,-0.1 0.695 89.1 109.1 -92.3 -21.6 -64.4 -48.8 -19.1 260 274 A R S < S- 0 0 13 -4,-2.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.292 81.0-103.7 -58.0 132.5 -63.5 -52.4 -18.1 261 275 A I - 0 0 20 -10,-2.0 2,-0.1 -13,-0.2 -1,-0.1 -0.222 31.6-123.1 -60.0 146.6 -61.7 -54.2 -21.0 262 276 A S > - 0 0 61 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.492 21.9-114.3 -84.9 161.9 -63.6 -56.7 -23.1 263 277 A A H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -154,-0.1 0.911 118.1 52.1 -62.5 -41.0 -62.4 -60.3 -23.5 264 278 A K H > S+ 0 0 170 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.939 112.0 44.1 -61.0 -46.6 -61.8 -59.6 -27.2 265 279 A A H >4 S+ 0 0 47 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.887 109.4 58.0 -66.4 -36.6 -59.7 -56.5 -26.5 266 280 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.871 98.0 60.5 -60.9 -36.4 -57.8 -58.3 -23.7 267 281 A L H 3< S+ 0 0 42 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.738 103.6 51.1 -65.2 -20.9 -56.7 -61.0 -26.2 268 282 A A T << S+ 0 0 83 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.449 83.4 122.4 -94.2 -1.7 -54.9 -58.3 -28.2 269 283 A H S X S- 0 0 17 -3,-1.6 3,-2.2 -4,-0.3 4,-0.1 -0.310 74.8-117.5 -63.0 143.5 -53.1 -56.9 -25.1 270 284 A P G > S+ 0 0 76 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.684 106.9 78.0 -52.1 -23.9 -49.2 -56.8 -25.4 271 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.808 93.6 49.6 -58.3 -30.7 -49.1 -59.2 -22.4 272 286 A F G X S+ 0 0 11 -3,-2.2 3,-1.5 -6,-0.2 -1,-0.3 0.250 76.1 105.6 -93.6 9.9 -49.9 -62.1 -24.8 273 287 A Q T < S+ 0 0 160 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.910 92.8 31.8 -55.8 -42.6 -47.3 -61.3 -27.4 274 288 A D T 3 S+ 0 0 89 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.027 88.0 148.1-104.5 26.2 -45.2 -64.2 -26.3 275 289 A V < + 0 0 41 -3,-1.5 2,-0.2 -177,-0.1 -179,-0.1 -0.321 16.6 168.6 -65.2 143.5 -48.0 -66.6 -25.1 276 290 A T - 0 0 81 -181,-0.4 -2,-0.0 -2,-0.0 -1,-0.0 -0.767 38.8-109.8-139.4-178.5 -47.5 -70.3 -25.5 277 291 A K - 0 0 130 -2,-0.2 -181,-0.1 -178,-0.0 -144,-0.1 -0.737 37.9-176.1-125.4 83.2 -49.2 -73.5 -24.3 278 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.279 27.8-115.2 -72.5 164.8 -47.1 -75.2 -21.7 279 293 A V - 0 0 106 -147,-0.0 2,-0.1 -2,-0.0 -148,-0.1 -0.864 28.1-133.9-100.8 130.7 -48.1 -78.5 -20.2 280 294 A P - 0 0 10 0, 0.0 2,-1.0 0, 0.0 -148,-0.1 -0.493 15.6-119.5 -82.6 158.0 -48.9 -78.5 -16.5 281 295 A H - 0 0 166 -2,-0.1 2,-0.4 2,-0.0 -151,-0.0 -0.846 40.7-171.2 -95.8 104.6 -47.5 -81.1 -14.1 282 296 A L - 0 0 22 -2,-1.0 2,-0.7 -152,-0.1 -152,-0.0 -0.832 19.3-155.7-101.1 133.7 -50.7 -82.6 -12.9 283 297 A R 0 0 214 -2,-0.4 -197,-0.0 1,-0.2 -2,-0.0 -0.940 360.0 360.0-106.0 109.7 -50.8 -85.1 -10.0 284 298 A L 0 0 160 -2,-0.7 -1,-0.2 -206,-0.0 0, 0.0 0.783 360.0 360.0-104.7 360.0 -54.0 -87.1 -10.5