==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-FEB-11 3QL8 . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 62.9 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 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 25 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 25.2 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 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 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 71 0, 0.0 5,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 176.4 105.6 92.9 -48.0 2 2 A E + 0 0 159 1,-0.2 3,-0.1 3,-0.1 22,-0.0 0.519 360.0 61.0 -85.0 -7.5 105.6 96.4 -49.4 3 3 A N S S+ 0 0 94 1,-0.1 21,-1.7 21,-0.1 2,-0.4 0.704 105.8 54.4 -88.0 -24.3 103.8 95.4 -52.6 4 4 A F E -A 23 0A 22 19,-0.2 2,-1.1 -3,-0.2 19,-0.2 -0.937 68.9-151.4-116.9 132.8 100.9 94.2 -50.6 5 5 A Q E -A 22 0A 97 17,-1.9 17,-0.6 -2,-0.4 -3,-0.1 -0.780 35.9-129.1-100.8 86.4 98.9 96.2 -48.1 6 6 A K E -A 21 0A 116 -2,-1.1 15,-0.3 -5,-0.3 3,-0.1 0.066 21.0-165.9 -34.4 137.8 97.7 93.2 -45.9 7 7 A V E - 0 0 67 13,-3.3 2,-0.2 1,-0.4 14,-0.2 0.694 60.8 -62.3-100.0 -28.5 94.0 93.2 -45.3 8 8 A E E -A 20 0A 120 12,-1.3 12,-2.6 0, 0.0 2,-0.4 -0.844 56.3 -69.8 158.6 166.0 94.3 90.7 -42.4 9 9 A K E -A 19 0A 111 -2,-0.2 10,-0.3 10,-0.2 3,-0.1 -0.692 37.1-173.6 -81.3 128.9 95.3 87.1 -41.4 10 10 A I E - 0 0 66 8,-2.9 2,-0.3 -2,-0.4 9,-0.2 0.697 54.6 -53.5 -96.7 -23.9 92.8 84.6 -42.9 11 11 A G E -A 18 0A 26 7,-1.6 7,-1.1 2,-0.0 2,-0.2 -0.958 48.4 -86.5 179.5-159.2 94.1 81.5 -41.2 12 12 A E E -A 17 0A 23 -2,-0.3 5,-0.3 5,-0.2 144,-0.1 -0.713 37.8-165.9-146.8 88.4 96.9 79.1 -40.3 13 13 A G E > -A 16 0A 13 3,-1.9 3,-2.0 -2,-0.2 -2,-0.0 -0.192 40.6-100.5 -72.9 166.8 97.7 76.3 -42.8 14 14 A T T 3 S+ 0 0 13 1,-0.3 140,-0.2 110,-0.1 -1,-0.1 0.570 126.5 42.4 -62.8 -6.0 99.8 73.2 -42.1 15 15 A Y T 3 S- 0 0 16 1,-0.4 -1,-0.3 20,-0.0 21,-0.2 0.021 128.0 -56.5-129.4 28.0 102.5 75.1 -43.9 16 16 A G E < S-A 13 0A 1 -3,-2.0 -3,-1.9 139,-0.3 -1,-0.4 -0.601 72.3 -45.1 125.1 173.1 102.2 78.6 -42.6 17 17 A V E -A 12 0A 6 17,-0.5 17,-2.1 -5,-0.3 2,-0.4 -0.512 46.1-144.6 -81.4 147.5 99.8 81.6 -42.1 18 18 A V E -AB 11 33A 31 -7,-1.1 -8,-2.9 15,-0.2 -7,-1.6 -0.933 17.1-171.5-114.7 136.3 97.6 82.8 -44.9 19 19 A Y E -AB 9 32A 41 13,-2.6 13,-3.2 -2,-0.4 2,-0.5 -0.867 23.6-130.1-125.0 159.8 96.7 86.4 -45.4 20 20 A K E +AB 8 31A 45 -12,-2.6 -13,-3.3 -2,-0.3 -12,-1.3 -0.917 40.8 169.2-105.0 132.9 94.3 88.4 -47.6 21 21 A A E -AB 6 30A 0 9,-2.8 9,-3.5 -2,-0.5 2,-0.5 -0.989 29.9-136.5-146.7 153.7 96.1 91.2 -49.3 22 22 A R E -AB 5 29A 106 -17,-0.6 -17,-1.9 -2,-0.3 2,-0.9 -0.941 24.3-123.8-114.4 135.5 95.6 93.7 -52.1 23 23 A N E > -A 4 0A 31 5,-3.4 4,-3.9 -2,-0.5 5,-0.3 -0.657 17.2-151.4 -76.5 105.1 98.2 94.5 -54.7 24 24 A K T 4 S+ 0 0 110 -21,-1.7 -1,-0.2 -2,-0.9 -20,-0.1 0.785 94.8 42.2 -47.7 -30.6 98.7 98.2 -54.4 25 25 A L T 4 S+ 0 0 165 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.973 126.1 26.7 -81.6 -64.3 99.6 98.3 -58.0 26 26 A T T 4 S- 0 0 89 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.601 94.0-131.3 -76.1 -13.7 97.1 96.0 -59.7 27 27 A G < + 0 0 32 -4,-3.9 -3,-0.1 1,-0.3 2,-0.1 0.495 55.6 153.1 74.0 0.9 94.4 96.5 -57.1 28 28 A E - 0 0 85 -5,-0.3 -5,-3.4 -6,-0.1 2,-0.5 -0.404 41.3-142.4 -67.0 134.5 94.2 92.7 -57.1 29 29 A V E +B 22 0A 56 -7,-0.3 50,-0.7 -2,-0.1 2,-0.3 -0.883 35.1 164.1 -99.2 125.9 92.9 91.0 -53.8 30 30 A V E -BC 21 78A 0 -9,-3.5 -9,-2.8 -2,-0.5 2,-0.5 -0.825 40.3-110.8-136.6 171.9 94.8 87.8 -53.3 31 31 A A E -BC 20 77A 11 46,-2.8 46,-3.2 -2,-0.3 2,-0.6 -0.944 29.7-158.5-109.2 128.9 95.6 85.2 -50.6 32 32 A L E -BC 19 76A 3 -13,-3.2 -13,-2.6 -2,-0.5 2,-0.6 -0.931 6.3-169.5-113.7 117.2 99.2 85.1 -49.5 33 33 A K E -BC 18 75A 7 42,-2.8 42,-3.1 -2,-0.6 2,-0.5 -0.924 6.5-161.6-107.2 119.9 100.6 82.0 -47.8 34 34 A K E - C 0 74A 42 -17,-2.1 -17,-0.5 -2,-0.6 2,-0.3 -0.890 9.4-146.5-103.0 126.5 104.0 82.5 -46.2 35 35 A I E C 0 73A 12 38,-3.8 38,-1.2 -2,-0.5 -19,-0.2 -0.697 360.0 360.0 -93.0 145.7 106.0 79.3 -45.5 36 36 A R 0 0 90 -2,-0.3 37,-0.2 -21,-0.2 -1,-0.2 0.849 360.0 360.0 -72.8 360.0 108.3 78.9 -42.5 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 41 A T 0 0 101 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.4 114.4 76.8 -41.7 39 42 A E + 0 0 157 0, 0.0 32,-0.1 0, 0.0 0, 0.0 0.350 360.0 49.2-148.7 -16.1 117.7 78.0 -43.1 40 43 A G S S- 0 0 53 31,-0.1 31,-0.1 2,-0.0 3,-0.1 0.919 74.8-156.9 -93.9 -66.2 118.2 75.9 -46.2 41 44 A V - 0 0 28 1,-0.1 2,-0.3 30,-0.1 5,-0.1 0.957 29.9-111.6 81.4 80.8 115.0 76.0 -48.3 42 45 A P >> - 0 0 72 0, 0.0 3,-2.5 0, 0.0 4,-1.4 -0.158 27.9-165.3 -44.5 96.8 114.9 72.8 -50.6 43 46 A S H 3> S+ 0 0 75 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 0.650 88.1 68.7 -62.1 -15.0 115.3 74.5 -54.0 44 47 A T H 3> S+ 0 0 84 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.721 102.0 47.1 -73.5 -21.8 114.2 71.2 -55.4 45 48 A A H <> S+ 0 0 2 -3,-2.5 4,-4.1 2,-0.2 5,-0.4 0.888 105.5 55.4 -82.9 -47.0 110.9 72.2 -53.8 46 49 A I H X S+ 0 0 28 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.877 111.0 48.6 -53.3 -37.9 110.9 75.7 -55.2 47 50 A R H X S+ 0 0 185 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.960 115.5 41.3 -67.7 -52.4 111.3 74.0 -58.6 48 51 A E H >X S+ 0 0 64 -4,-1.5 4,-1.3 2,-0.2 3,-1.0 0.971 116.2 49.2 -58.4 -56.2 108.4 71.6 -58.0 49 52 A I H >X S+ 0 0 3 -4,-4.1 3,-1.0 1,-0.3 4,-0.6 0.918 107.1 57.3 -47.4 -49.3 106.2 74.2 -56.4 50 53 A S H >< S+ 0 0 38 -4,-2.3 3,-1.2 -5,-0.4 4,-0.3 0.837 99.4 58.9 -52.8 -36.9 107.0 76.5 -59.4 51 54 A L H X< S+ 0 0 110 -4,-1.5 3,-2.5 -3,-1.0 -1,-0.3 0.872 92.7 68.2 -62.1 -36.3 105.7 73.8 -61.7 52 55 A L H X< S+ 0 0 31 -4,-1.3 3,-2.1 -3,-1.0 11,-0.3 0.743 82.3 72.8 -55.5 -26.2 102.3 74.1 -59.9 53 56 A K T << S+ 0 0 78 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.773 90.7 61.3 -59.3 -24.7 101.8 77.5 -61.3 54 57 A E T < S+ 0 0 153 -3,-2.5 2,-0.7 -4,-0.3 -1,-0.3 0.602 78.1 106.0 -77.8 -12.6 101.2 75.7 -64.6 55 58 A L < + 0 0 20 -3,-2.1 2,-0.5 -4,-0.2 8,-0.4 -0.559 46.7 174.4 -72.7 110.1 98.2 73.9 -63.1 56 59 A N + 0 0 96 -2,-0.7 5,-0.1 6,-0.1 -3,-0.0 -0.920 15.8 131.5-126.4 112.4 95.1 75.5 -64.6 57 60 A H > - 0 0 37 -2,-0.5 3,-2.1 3,-0.4 54,-0.0 -0.976 59.3-119.8-154.9 141.1 91.7 74.1 -63.9 58 61 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.708 113.5 49.9 -55.8 -20.1 88.4 75.7 -62.8 59 62 A N T 3 S+ 0 0 7 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.132 96.8 79.0-109.5 21.2 88.4 73.6 -59.6 60 63 A I B < S-e 140 0B 7 -3,-2.1 -3,-0.4 79,-0.3 2,-0.3 -0.997 86.7-116.2-127.9 126.9 91.9 74.3 -58.5 61 64 A V - 0 0 8 79,-2.7 2,-0.2 -2,-0.4 -2,-0.1 -0.457 42.3-113.8 -61.8 123.0 92.8 77.5 -56.7 62 65 A K - 0 0 83 -2,-0.3 16,-2.2 -4,-0.1 2,-0.8 -0.406 17.0-142.2 -65.5 130.5 95.2 79.3 -59.1 63 66 A L E -D 77 0A 12 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.857 22.5-179.9 -93.2 108.9 98.8 79.7 -57.8 64 67 A L E - 0 0 40 12,-2.5 2,-0.3 -2,-0.8 13,-0.2 0.868 56.9 -3.8 -79.2 -41.6 99.7 83.1 -59.2 65 68 A D E -D 76 0A 82 11,-1.5 11,-3.2 2,-0.0 2,-0.5 -0.999 47.0-146.9-156.6 153.9 103.3 83.5 -57.9 66 69 A V E -D 75 0A 21 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.989 21.0-168.4-121.0 126.1 106.0 81.9 -55.9 67 70 A I E -D 74 0A 44 7,-3.1 7,-2.7 -2,-0.5 2,-0.6 -0.935 4.8-169.5-124.2 111.3 108.3 84.3 -54.0 68 71 A H E +D 73 0A 93 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.869 31.3 130.5 -99.7 120.9 111.5 83.1 -52.4 69 72 A T E > +D 72 0A 46 3,-2.8 3,-2.3 -2,-0.6 -2,-0.1 -0.949 57.6 7.1-169.0 147.6 113.1 85.7 -50.2 70 73 A E T 3 S- 0 0 159 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.871 122.9 -58.5 42.0 56.7 114.6 86.2 -46.7 71 74 A N T 3 S+ 0 0 69 1,-0.2 2,-0.4 -31,-0.1 -1,-0.3 0.639 121.1 107.9 54.4 12.5 114.5 82.5 -45.7 72 75 A K E < - D 0 69A 97 -3,-2.3 -3,-2.8 -31,-0.0 2,-0.5 -0.941 57.9-154.0-122.1 142.5 110.8 82.9 -46.3 73 76 A L E -CD 35 68A 9 -38,-1.2 -38,-3.8 -2,-0.4 2,-0.4 -0.962 10.7-163.0-116.9 131.7 108.7 81.5 -49.2 74 77 A Y E -CD 34 67A 28 -7,-2.7 -7,-3.1 -2,-0.5 2,-0.5 -0.951 5.9-162.0-118.6 133.3 105.5 83.2 -50.3 75 78 A L E -CD 33 66A 4 -42,-3.1 -42,-2.8 -2,-0.4 2,-0.6 -0.956 9.3-154.4-112.4 124.7 102.8 81.6 -52.4 76 79 A V E -CD 32 65A 7 -11,-3.2 -12,-2.5 -2,-0.5 -11,-1.5 -0.899 20.4-179.7-102.4 120.4 100.4 84.1 -54.0 77 80 A F E -CD 31 63A 24 -46,-3.2 -46,-2.8 -2,-0.6 -14,-0.2 -0.852 36.2 -99.3-119.4 154.7 97.0 82.5 -54.7 78 81 A E E -C 30 0A 47 -16,-2.2 2,-0.4 -2,-0.3 -48,-0.2 -0.427 52.1-117.2 -64.7 148.3 93.8 83.7 -56.3 79 82 A F - 0 0 39 -50,-0.7 2,-0.4 -2,-0.1 -1,-0.1 -0.735 30.5-176.0 -98.8 138.0 91.4 84.6 -53.4 80 83 A L - 0 0 13 -2,-0.4 53,-0.1 1,-0.1 52,-0.0 -0.973 26.0-131.4-127.4 144.3 88.1 83.0 -52.5 81 84 A H S S+ 0 0 107 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.696 77.2 26.9 -73.0 -22.4 85.9 84.2 -49.7 82 85 A Q E -F 132 0B 26 50,-1.3 50,-3.2 4,-0.0 2,-0.2 -0.997 59.6-141.1-148.0 148.5 85.0 81.1 -47.8 83 86 A D E > -F 131 0B 24 -2,-0.3 4,-2.2 48,-0.2 48,-0.2 -0.652 32.1-114.1-101.8 159.4 86.3 77.6 -47.0 84 87 A L H > S+ 0 0 0 46,-2.8 4,-2.9 43,-1.1 5,-0.2 0.792 112.8 61.1 -63.9 -27.7 84.1 74.5 -46.7 85 88 A K H > S+ 0 0 48 42,-0.6 4,-2.5 45,-0.3 -1,-0.2 0.972 108.5 42.8 -63.7 -49.6 84.7 74.1 -43.0 86 89 A K H > S+ 0 0 117 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.934 115.1 50.7 -60.4 -44.5 83.2 77.5 -42.3 87 90 A F H X S+ 0 0 9 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.888 110.2 48.5 -61.8 -42.0 80.3 76.8 -44.7 88 91 A M H < S+ 0 0 14 -4,-2.9 4,-0.3 2,-0.2 -1,-0.2 0.921 112.3 49.2 -64.9 -41.2 79.6 73.4 -43.1 89 92 A D H >< S+ 0 0 98 -4,-2.5 3,-1.3 1,-0.2 4,-0.2 0.939 111.7 49.2 -61.9 -44.7 79.6 75.0 -39.7 90 93 A A H 3< S+ 0 0 73 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.767 115.5 44.0 -64.1 -26.7 77.3 77.7 -41.0 91 94 A S T 3X S+ 0 0 14 -4,-1.5 4,-3.8 -5,-0.2 3,-0.3 0.281 81.5 107.7-101.0 8.5 75.0 75.1 -42.5 92 95 A A T <4 S+ 0 0 48 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.768 76.5 51.5 -58.5 -30.5 75.0 72.8 -39.5 93 96 A L T 4 S+ 0 0 170 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.872 127.5 19.4 -75.3 -37.7 71.5 73.6 -38.4 94 97 A T T 4 S- 0 0 110 -3,-0.3 -2,-0.2 -4,-0.2 -1,-0.1 0.651 103.0-127.3-107.0 -22.8 69.9 72.9 -41.8 95 98 A G < - 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0 0 65 -28,-2.7 5,-0.1 1,-0.1 -1,-0.1 -0.718 30.8 -93.5 -96.0 146.5 79.5 48.1 -39.6 244 247 A D > - 0 0 110 -2,-0.3 3,-1.6 1,-0.2 4,-0.5 -0.362 33.1-132.7 -57.8 133.2 76.5 48.1 -42.0 245 248 A F G >> S+ 0 0 22 1,-0.3 4,-1.2 2,-0.2 3,-1.1 0.773 100.4 71.2 -60.8 -28.4 77.1 51.1 -44.3 246 249 A S G 34 S+ 0 0 54 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.689 97.5 53.1 -61.9 -18.0 73.5 52.3 -43.8 247 250 A K G <4 S+ 0 0 135 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.696 101.8 60.8 -89.2 -22.1 74.5 53.3 -40.3 248 251 A V T <4 S+ 0 0 23 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.924 118.8 14.3 -74.8 -49.5 77.5 55.3 -41.4 249 252 A V S >< S- 0 0 0 -4,-1.2 3,-2.3 3,-0.1 -1,-0.2 -0.256 89.4-159.6-125.9 51.1 76.0 58.0 -43.6 250 253 A P T 3 + 0 0 69 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.450 69.3 20.9 -68.7 148.2 72.2 58.1 -43.0 251 254 A P T 3 S+ 0 0 127 0, 0.0 -5,-0.0 0, 0.0 -4,-0.0 -0.823 87.9 123.1-102.1 33.1 70.1 59.2 -44.7 252 255 A L < - 0 0 9 -3,-2.3 -3,-0.1 1,-0.1 5,-0.0 -0.213 63.3-114.2 -52.0 134.9 72.2 59.2 -47.9 253 256 A D > - 0 0 60 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.142 30.6 -97.4 -67.7 165.3 70.6 57.1 -50.7 254 257 A E H > S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.782 121.8 57.0 -58.5 -30.9 72.1 53.9 -52.1 255 258 A D H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.958 113.0 41.8 -64.4 -47.7 73.8 55.6 -55.1 256 259 A G H > S+ 0 0 0 -3,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.917 115.6 48.5 -63.6 -45.1 75.6 57.9 -52.7 257 260 A R H X S+ 0 0 63 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.903 111.1 51.8 -62.6 -40.7 76.4 55.1 -50.2 258 261 A S H X S+ 0 0 36 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.945 111.7 45.9 -60.2 -48.9 77.7 52.9 -53.1 259 262 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 3,-0.2 0.943 113.2 49.6 -60.6 -48.7 80.0 55.7 -54.3 260 263 A L H >X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 3,-0.6 0.928 106.5 55.8 -57.4 -44.9 81.2 56.4 -50.8 261 264 A S H 3< S+ 0 0 29 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.891 108.3 48.9 -56.1 -38.2 81.9 52.7 -50.2 262 265 A Q H >< S+ 0 0 65 -4,-1.8 10,-2.3 1,-0.2 3,-0.6 0.782 109.4 51.2 -72.7 -25.8 84.1 52.7 -53.2 263 266 A M H << S+ 0 0 0 -4,-1.5 -76,-0.3 -3,-0.6 -1,-0.2 0.659 112.5 48.5 -82.8 -15.7 86.0 55.8 -52.1 264 267 A L T 3< S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.129 74.6 137.5-111.1 19.4 86.6 54.2 -48.7 265 268 A H < - 0 0 66 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.436 54.3-135.2 -61.8 139.0 87.9 50.8 -49.8 266 269 A Y S S+ 0 0 15 -2,-0.1 -97,-0.2 -50,-0.1 -1,-0.1 0.950 87.4 76.7 -62.7 -50.2 90.9 49.8 -47.6 267 270 A D S >> S- 0 0 19 -44,-0.5 3,-2.2 1,-0.2 4,-2.0 -0.502 74.8-148.5 -67.6 112.8 93.0 48.6 -50.5 268 271 A P T 34 S+ 0 0 27 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.830 99.8 57.8 -50.0 -31.3 94.4 51.7 -52.3 269 272 A N T 34 S+ 0 0 151 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.732 108.5 41.4 -73.8 -23.1 94.3 49.6 -55.4 270 273 A K T <4 S+ 0 0 106 -3,-2.2 -1,-0.2 2,-0.1 3,-0.1 0.699 89.7 110.3 -94.2 -22.0 90.5 48.8 -55.2 271 274 A R S < S- 0 0 12 -4,-2.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.251 80.9-104.4 -56.1 133.1 89.7 52.4 -54.1 272 275 A I - 0 0 19 -10,-2.3 2,-0.1 -13,-0.2 -1,-0.1 -0.249 31.3-123.9 -61.5 146.1 87.9 54.2 -56.9 273 276 A S > - 0 0 61 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.495 21.9-114.0 -85.5 162.6 89.8 56.7 -59.0 274 277 A A H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -161,-0.1 0.909 118.1 51.9 -62.2 -41.2 88.5 60.2 -59.4 275 278 A K H > S+ 0 0 166 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.937 112.2 44.1 -60.8 -47.2 87.9 59.6 -63.1 276 279 A A H >4 S+ 0 0 47 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.897 109.3 57.9 -65.0 -39.0 85.8 56.5 -62.4 277 280 A A H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.859 97.6 61.2 -60.4 -34.1 84.0 58.2 -59.6 278 281 A L H 3< S+ 0 0 42 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.781 103.0 51.6 -64.2 -24.6 82.8 60.9 -62.0 279 282 A A T << S+ 0 0 84 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.474 82.9 121.5 -89.6 -4.0 81.0 58.2 -64.0 280 283 A H S X S- 0 0 18 -3,-1.5 3,-2.2 -4,-0.4 4,-0.1 -0.318 75.3-118.0 -62.6 145.2 79.2 56.8 -61.0 281 284 A P G > S+ 0 0 66 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.660 106.9 79.0 -56.1 -20.0 75.3 56.8 -61.2 282 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.839 93.8 49.9 -59.2 -30.7 75.2 59.1 -58.2 283 286 A F G X S+ 0 0 10 -3,-2.2 3,-1.6 -6,-0.2 -1,-0.3 0.328 76.1 104.7 -92.1 7.9 76.1 62.0 -60.6 284 287 A Q T < S+ 0 0 178 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.912 93.1 31.4 -55.2 -42.2 73.4 61.2 -63.2 285 288 A D T 3 S+ 0 0 104 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.087 86.9 149.1-104.5 24.9 71.3 64.1 -62.0 286 289 A V < + 0 0 41 -3,-1.6 2,-0.2 -184,-0.1 -186,-0.1 -0.282 16.8 170.8 -62.8 143.1 74.1 66.4 -60.9 287 290 A T - 0 0 80 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.751 37.8-110.1-137.3-178.4 73.5 70.2 -61.3 288 291 A K - 0 0 135 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.729 38.9-174.9-126.1 83.1 75.2 73.3 -60.2 289 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.280 27.6-112.4 -72.9 162.8 73.2 75.1 -57.4 290 293 A V - 0 0 112 -154,-0.0 2,-0.1 -2,-0.0 -155,-0.1 -0.815 30.2-133.7 -94.2 127.1 74.0 78.5 -55.9 291 294 A P - 0 0 7 0, 0.0 2,-1.3 0, 0.0 -155,-0.1 -0.515 16.7-118.1 -83.0 156.7 75.0 78.3 -52.2 292 295 A H - 0 0 144 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.771 46.0-178.8 -90.6 95.9 73.5 80.7 -49.7 293 296 A L - 0 0 10 -2,-1.3 2,-0.7 -159,-0.1 -159,-0.0 -0.872 20.7-164.4-106.1 126.0 76.8 82.4 -48.7 294 297 A R 0 0 184 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.934 360.0 360.0-109.6 111.0 77.0 85.1 -46.1 295 298 A L 0 0 131 -2,-0.7 -1,-0.2 -213,-0.0 -2,-0.0 0.726 360.0 360.0 -99.4 360.0 80.3 86.9 -46.5