==== 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 13-MAY-11 3S0O . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 293 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15041.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 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 . 37 12.6 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 . 2 0.7 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 3 0 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 38 0, 0.0 5,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0-140.3 78.5 91.8 -83.7 2 2 A E + 0 0 127 1,-0.1 22,-0.1 3,-0.1 0, 0.0 0.834 360.0 42.7-101.0 -54.2 79.7 95.0 -85.4 3 3 A N S S+ 0 0 67 21,-0.1 22,-0.6 20,-0.1 2,-0.3 0.189 114.2 72.1 -78.2 17.4 77.6 95.0 -88.6 4 4 A F - 0 0 18 19,-0.2 2,-0.5 20,-0.1 19,-0.2 -0.972 65.8-150.9-137.3 150.9 74.7 94.0 -86.4 5 5 A Q E -A 22 0A 83 17,-1.6 17,-0.6 -2,-0.3 -3,-0.1 -0.744 29.2-133.5-122.0 81.6 72.5 95.5 -83.7 6 6 A K E -A 21 0A 86 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.056 24.0-176.0 -38.2 105.7 71.4 92.7 -81.4 7 7 A V E - 0 0 57 13,-2.0 2,-0.2 1,-0.2 14,-0.2 0.945 61.5 -30.2 -72.4 -52.5 67.6 93.3 -81.0 8 8 A E E -A 20 0A 127 12,-1.4 12,-0.9 3,-0.0 2,-0.6 -0.774 65.5 -92.0-148.8-167.3 67.0 90.5 -78.5 9 9 A K E -A 19 0A 143 -2,-0.2 10,-0.3 10,-0.2 3,-0.1 -0.914 25.1-168.5-124.1 100.9 68.2 87.1 -77.4 10 10 A I E - 0 0 87 8,-0.7 2,-0.3 -2,-0.6 9,-0.2 0.809 51.1-103.1 -58.5 -31.5 66.3 84.4 -79.2 11 11 A G E -A 18 0A 27 7,-1.8 7,-1.2 -3,-0.1 2,-0.3 -0.963 46.3 -50.5 150.9-131.3 67.8 81.8 -76.8 12 12 A E E -A 17 0A 72 -2,-0.3 5,-0.2 5,-0.3 143,-0.1 -0.865 35.9-166.2-157.3 119.3 70.6 79.2 -76.9 13 13 A G - 0 0 12 3,-2.3 5,-0.0 -2,-0.3 142,-0.0 0.076 48.9 -83.9 -83.8-160.0 71.4 76.4 -79.3 14 14 A T S S+ 0 0 21 1,-0.1 140,-0.1 129,-0.1 3,-0.1 0.466 126.7 35.1 -88.5 -2.3 73.7 73.5 -78.8 15 15 A Y S S- 0 0 21 1,-0.4 21,-1.7 140,-0.1 2,-0.3 0.641 125.5 -40.5-120.3 -28.9 76.8 75.5 -79.9 16 16 A G S S- 0 0 2 19,-0.2 -3,-2.3 139,-0.1 -1,-0.4 -0.985 77.0 -43.4-179.3-176.5 76.1 79.0 -78.6 17 17 A V E -A 12 0A 5 -2,-0.3 17,-2.4 -5,-0.2 2,-0.5 -0.391 44.8-144.8 -71.6 146.2 73.7 81.9 -78.1 18 18 A V E -AB 11 33A 26 -7,-1.2 -7,-1.8 15,-0.2 -8,-0.7 -0.956 18.6-170.4-113.8 126.1 71.2 82.8 -80.8 19 19 A Y E -AB 9 32A 28 13,-3.3 13,-3.3 -2,-0.5 2,-0.6 -0.874 26.4-129.1-118.5 150.7 70.3 86.4 -81.3 20 20 A K E +AB 8 31A 54 -12,-0.9 -13,-2.0 -2,-0.3 -12,-1.4 -0.860 44.8 179.9 -91.0 123.8 67.7 88.3 -83.3 21 21 A A E -AB 6 30A 0 9,-2.9 9,-2.9 -2,-0.6 2,-0.5 -0.971 30.3-141.4-135.0 149.4 69.7 90.9 -85.1 22 22 A R E -AB 5 29A 90 -17,-0.6 -17,-1.6 -2,-0.4 2,-1.6 -0.928 25.4-128.8-107.6 122.9 69.2 93.7 -87.6 23 23 A N > - 0 0 25 5,-1.9 4,-4.7 -2,-0.5 5,-0.4 -0.545 14.9-154.7 -72.5 89.5 71.9 94.1 -90.2 24 24 A K T 4 S+ 0 0 138 -2,-1.6 -1,-0.2 -21,-0.3 -20,-0.1 0.795 91.5 52.2 -29.8 -47.4 72.6 97.9 -89.8 25 25 A L T 4 S+ 0 0 120 -22,-0.6 -1,-0.1 1,-0.2 -21,-0.0 0.934 128.4 12.5 -54.0 -95.2 73.8 97.7 -93.4 26 26 A T T 4 S- 0 0 94 1,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.637 91.8-135.3 -60.3 -20.9 70.9 96.1 -95.3 27 27 A G < + 0 0 34 -4,-4.7 2,-0.3 1,-0.3 -3,-0.2 0.498 55.9 142.1 76.2 0.7 68.5 96.5 -92.4 28 28 A E - 0 0 135 -5,-0.4 -5,-1.9 -6,-0.1 2,-0.3 -0.600 52.4-120.6 -81.0 135.9 67.3 92.9 -93.0 29 29 A V E +B 22 0A 54 -2,-0.3 51,-0.8 -7,-0.2 2,-0.3 -0.582 38.8 169.3 -80.1 133.1 66.5 90.9 -89.9 30 30 A V E -BC 21 79A 10 -9,-2.9 -9,-2.9 -2,-0.3 2,-0.6 -0.848 39.3-114.2-136.2 169.2 68.4 87.7 -89.2 31 31 A A E -BC 20 78A 13 47,-2.6 47,-2.8 -2,-0.3 2,-0.5 -0.955 36.2-159.7-106.0 117.9 69.0 85.0 -86.6 32 32 A L E -BC 19 77A 0 -13,-3.3 -13,-3.3 -2,-0.6 2,-0.5 -0.893 4.6-163.1-106.6 125.7 72.6 85.3 -85.6 33 33 A K E -BC 18 76A 7 43,-3.1 43,-2.4 -2,-0.5 2,-0.5 -0.925 7.0-152.5-112.3 122.3 74.3 82.4 -83.9 34 34 A K E - C 0 75A 48 -17,-2.4 2,-0.4 -2,-0.5 41,-0.2 -0.796 18.0-141.9 -89.3 125.8 77.6 82.8 -82.0 35 35 A I E - C 0 74A 8 39,-3.7 39,-0.6 -2,-0.5 2,-0.4 -0.745 13.8-122.0 -94.0 136.9 79.6 79.5 -82.0 36 36 A R 0 0 131 -21,-1.7 -20,-0.0 -2,-0.4 37,-0.0 -0.622 360.0 360.0 -77.8 124.7 81.5 78.5 -78.9 37 37 A L 0 0 59 -2,-0.4 3,-0.4 5,-0.0 -1,-0.1 -0.693 360.0 360.0-119.6 360.0 85.3 78.0 -79.5 38 ! 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 39 41 A T 0 0 172 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -37.1 90.7 78.1 -75.2 40 42 A E - 0 0 162 -3,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.994 360.0 -65.0-150.2 152.2 91.8 75.8 -78.0 41 43 A G - 0 0 75 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 0.217 52.2-108.8 -34.1 149.1 92.4 75.9 -81.8 42 44 A V - 0 0 57 1,-0.1 2,-0.1 -5,-0.0 -1,-0.1 -0.655 37.7-103.4 -86.6 138.1 89.7 76.6 -84.3 43 45 A P > - 0 0 37 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 -0.390 25.8-166.7 -64.7 132.1 88.4 73.7 -86.5 44 46 A S H > S+ 0 0 56 2,-0.1 4,-1.2 -2,-0.1 5,-0.1 0.900 89.4 45.4 -82.4 -47.0 89.6 73.8 -90.1 45 47 A T H > S+ 0 0 75 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.893 105.9 62.2 -63.8 -43.4 87.2 71.2 -91.4 46 48 A A H > S+ 0 0 4 1,-0.2 4,-4.0 2,-0.2 5,-0.3 0.952 104.4 43.9 -47.9 -67.7 84.2 72.8 -89.6 47 49 A I H X S+ 0 0 36 -4,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.829 117.1 47.9 -50.0 -37.5 84.2 76.1 -91.4 48 50 A R H X S+ 0 0 164 -4,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.955 116.7 41.5 -69.9 -49.3 84.8 74.4 -94.7 49 51 A E H >X S+ 0 0 66 -4,-3.4 4,-0.9 2,-0.2 3,-0.6 0.923 115.8 49.9 -63.3 -46.2 82.0 71.9 -94.2 50 52 A I H >X S+ 0 0 22 -4,-4.0 3,-1.8 -5,-0.3 4,-0.7 0.937 104.9 58.0 -58.2 -47.5 79.7 74.5 -92.7 51 53 A S H >< S+ 0 0 45 -4,-2.2 3,-0.8 -5,-0.3 4,-0.3 0.807 100.3 59.4 -52.2 -31.3 80.4 76.8 -95.7 52 54 A L H X< S+ 0 0 124 -4,-1.1 3,-1.6 -3,-0.6 -1,-0.3 0.820 93.4 65.4 -67.8 -29.9 79.1 73.9 -97.8 53 55 A L H X< S+ 0 0 45 -3,-1.8 3,-1.5 -4,-0.9 11,-0.3 0.763 85.2 71.9 -64.4 -24.2 75.8 74.1 -95.9 54 56 A K T << S+ 0 0 51 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.728 91.0 60.4 -63.0 -22.2 75.2 77.6 -97.4 55 57 A E T < S+ 0 0 148 -3,-1.6 2,-0.7 -4,-0.3 -1,-0.3 -0.010 79.1 104.0 -94.6 28.0 74.6 75.8 -100.8 56 58 A L < + 0 0 18 -3,-1.5 2,-0.5 8,-0.2 8,-0.3 -0.830 49.0 174.0-112.4 90.9 71.7 73.9 -99.3 57 59 A N + 0 0 129 -2,-0.7 5,-0.1 6,-0.1 -2,-0.0 -0.869 13.5 132.1-107.1 128.1 68.5 75.5 -100.6 58 60 A H > - 0 0 30 -2,-0.5 3,-2.0 3,-0.4 -2,-0.0 -0.937 59.8-115.1-166.6 143.2 65.0 74.1 -100.0 59 61 A P T 3 S+ 0 0 85 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.733 116.1 47.6 -56.4 -21.7 61.6 75.6 -98.9 60 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.9 48,-0.1 2,-0.4 0.216 97.3 80.2-108.7 18.4 61.7 73.5 -95.7 61 63 A I B < S-e 141 0B 7 -3,-2.0 -3,-0.4 79,-0.3 2,-0.4 -0.983 84.7-118.7-123.1 128.7 65.3 74.3 -94.6 62 64 A V - 0 0 7 79,-2.7 2,-0.2 -2,-0.4 81,-0.1 -0.546 40.5-115.9 -66.4 124.4 66.2 77.5 -92.8 63 65 A K - 0 0 101 -2,-0.4 16,-2.1 -4,-0.1 2,-0.8 -0.432 15.4-142.2 -68.7 131.6 68.6 79.2 -95.2 64 66 A L E -D 78 0A 11 -11,-0.3 14,-0.2 -8,-0.3 -8,-0.2 -0.866 21.9-178.4 -92.0 110.7 72.1 79.7 -93.8 65 67 A L E + 0 0 47 12,-2.3 2,-0.3 -2,-0.8 13,-0.2 0.853 57.2 1.6 -81.5 -37.7 73.0 83.1 -95.2 66 68 A D E -D 77 0A 81 11,-1.7 11,-3.3 2,-0.0 2,-0.6 -0.992 43.1-153.6-157.6 145.9 76.6 83.5 -94.0 67 69 A V E -D 76 0A 26 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.985 27.7-166.6-115.3 114.5 79.4 81.9 -92.0 68 70 A I E +D 75 0A 32 7,-3.2 7,-2.6 -2,-0.6 2,-0.8 -0.922 15.8 179.0-112.8 115.9 81.5 84.7 -90.6 69 71 A H E +D 74 0A 77 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.851 29.4 143.8-112.3 89.3 84.9 83.9 -89.2 70 72 A T E > +D 73 0A 60 3,-0.9 3,-1.9 -2,-0.8 -2,-0.1 -0.931 62.1 11.6-128.1 153.9 86.2 87.3 -88.1 71 73 A E T 3 S- 0 0 169 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.851 129.4 -68.1 48.7 35.9 88.3 88.3 -85.1 72 74 A N T 3 S+ 0 0 120 1,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.863 111.6 118.9 50.0 43.2 88.9 84.6 -84.7 73 75 A K E < - D 0 70A 63 -3,-1.9 -3,-0.9 -37,-0.0 2,-0.5 -0.896 59.7-128.5-129.8 157.4 85.2 84.1 -83.7 74 76 A L E +CD 35 69A 13 -39,-0.6 -39,-3.7 -2,-0.3 2,-0.4 -0.934 26.5 172.1-121.1 118.4 82.5 82.1 -85.4 75 77 A Y E -CD 34 68A 20 -7,-2.6 -7,-3.2 -2,-0.5 2,-0.5 -0.939 15.6-159.8-120.3 139.6 79.1 83.5 -86.4 76 78 A L E -CD 33 67A 14 -43,-2.4 -43,-3.1 -2,-0.4 2,-0.6 -0.982 10.4-154.8-118.1 126.5 76.4 81.8 -88.4 77 79 A V E -CD 32 66A 7 -11,-3.3 -12,-2.3 -2,-0.5 -11,-1.7 -0.922 17.3-179.1-105.3 121.4 73.8 84.1 -90.0 78 80 A F E -CD 31 64A 30 -47,-2.8 -47,-2.6 -2,-0.6 -14,-0.2 -0.835 36.8 -97.4-118.5 155.2 70.4 82.5 -90.7 79 81 A E E -C 30 0A 52 -16,-2.1 2,-0.5 -2,-0.3 -49,-0.2 -0.451 50.5-116.1 -66.1 142.8 67.2 83.8 -92.3 80 82 A F - 0 0 58 -51,-0.8 2,-0.3 -2,-0.1 -1,-0.1 -0.730 29.4-163.8 -91.3 127.0 64.9 84.7 -89.4 81 83 A L - 0 0 18 -2,-0.5 53,-0.1 1,-0.1 3,-0.1 -0.742 24.3-118.5-106.6 160.9 61.6 82.9 -88.9 82 84 A H S S- 0 0 72 51,-0.4 2,-0.3 -2,-0.3 52,-0.2 0.779 79.5 -11.7 -66.7 -40.3 58.7 84.0 -86.7 83 85 A Q E -F 133 0B 19 50,-1.5 50,-2.5 210,-0.0 2,-0.3 -0.984 62.3-116.0-160.8 160.3 58.3 81.3 -84.1 84 86 A D E > -F 132 0B 47 -2,-0.3 4,-2.1 48,-0.2 48,-0.2 -0.700 29.3-115.5-103.0 159.2 59.5 77.8 -83.2 85 87 A L H > S+ 0 0 0 46,-2.6 4,-3.0 43,-1.0 5,-0.2 0.815 112.2 62.6 -62.2 -30.9 57.3 74.6 -83.0 86 88 A K H > S+ 0 0 87 42,-1.0 4,-2.2 45,-0.3 -1,-0.2 0.969 109.0 38.7 -59.4 -53.3 58.0 74.3 -79.2 87 89 A K H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.896 115.8 54.1 -65.3 -37.2 56.4 77.7 -78.4 88 90 A F H X S+ 0 0 7 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.908 109.4 46.8 -63.8 -42.6 53.6 77.0 -81.0 89 91 A M H < S+ 0 0 19 -4,-3.0 3,-0.4 2,-0.2 -1,-0.2 0.911 112.4 50.0 -66.3 -39.4 52.8 73.6 -79.4 90 92 A D H >< S+ 0 0 104 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 0.855 111.1 50.2 -65.3 -33.1 52.8 75.2 -76.0 91 93 A A H 3< S+ 0 0 39 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.688 113.2 46.1 -76.3 -19.7 50.5 77.9 -77.4 92 94 A S T 3X S+ 0 0 13 -4,-1.1 4,-3.7 -3,-0.4 -1,-0.2 0.174 79.6 110.0-106.9 15.2 48.2 75.2 -78.8 93 95 A A T <4 S+ 0 0 51 -3,-0.9 -1,-0.1 1,-0.2 -2,-0.1 0.744 76.3 49.2 -64.8 -27.0 48.1 73.0 -75.7 94 96 A L T 4 S+ 0 0 172 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.881 130.8 17.8 -79.7 -39.0 44.4 73.8 -74.8 95 97 A T T 4 S- 0 0 110 -4,-0.1 -2,-0.2 -3,-0.0 -3,-0.1 0.734 101.9-135.7-102.0 -33.1 43.1 73.1 -78.2 96 98 A G < - 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0 0 5 -4,-1.9 24,-0.2 24,-0.4 -1,-0.2 0.212 46.1 -66.8 89.0 142.2 59.3 46.7 -75.8 218 221 A T - 0 0 24 22,-2.8 24,-0.1 -4,-0.1 -8,-0.0 -0.468 61.8-119.3 -63.9 124.3 62.9 45.9 -75.0 219 222 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.284 37.3 177.1 -66.2 153.3 64.6 45.3 -78.3 220 223 A D > - 0 0 75 7,-0.0 4,-2.3 8,-0.0 7,-0.2 -0.815 48.8 -81.2-140.4-177.4 66.2 41.9 -78.9 221 224 A E T 4 S+ 0 0 78 -2,-0.3 6,-0.1 1,-0.2 5,-0.0 0.686 121.2 61.6 -64.7 -20.6 67.9 40.2 -81.8 222 225 A V T 4 S+ 0 0 121 2,-0.1 -1,-0.2 1,-0.1 0, 0.0 0.974 116.5 26.8 -70.4 -54.3 64.6 39.3 -83.5 223 226 A V T 4 S+ 0 0 69 1,-0.3 44,-0.4 -3,-0.1 -2,-0.2 0.775 136.6 29.9 -80.5 -23.9 63.4 42.8 -84.0 224 227 A W S >< S- 0 0 8 -4,-2.3 3,-2.4 42,-0.1 4,-0.3 -0.702 78.1-151.5-139.0 85.4 66.9 44.4 -84.2 225 228 A P T 3 S+ 0 0 72 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.306 86.0 18.7 -57.2 131.0 69.6 42.1 -85.5 226 229 A G T > S+ 0 0 35 41,-0.0 3,-1.6 4,-0.0 4,-0.3 0.287 86.3 119.9 92.4 -8.9 72.9 43.2 -83.9 227 230 A V G X + 0 0 0 -3,-2.4 3,-1.7 1,-0.3 6,-0.1 0.872 68.7 58.3 -58.7 -38.2 71.4 45.1 -81.1 228 231 A T G 3 S+ 0 0 60 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.602 104.4 53.1 -68.8 -11.2 73.0 42.9 -78.4 229 232 A S G < S+ 0 0 102 -3,-1.6 -1,-0.3 5,-0.0 -2,-0.2 0.337 79.7 121.6-103.5 2.8 76.5 43.8 -79.7 230 233 A M S X S- 0 0 43 -3,-1.7 3,-1.8 -4,-0.3 -57,-0.1 -0.412 76.7-108.1 -67.0 145.9 75.9 47.5 -79.6 231 234 A P T 3 S+ 0 0 61 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.795 112.8 30.5 -41.7 -49.6 78.5 49.4 -77.4 232 235 A D T 3 S+ 0 0 73 -60,-2.5 2,-0.2 2,-0.0 -59,-0.2 0.263 87.8 122.1-102.6 14.2 76.3 50.3 -74.5 233 236 A Y < - 0 0 43 -3,-1.8 3,-0.0 -61,-0.4 -5,-0.0 -0.523 42.0-166.5 -74.6 141.7 73.9 47.3 -74.6 234 237 A K > - 0 0 106 -2,-0.2 3,-2.2 1,-0.1 -5,-0.0 -0.999 25.7-140.2-130.9 131.4 73.8 45.3 -71.4 235 238 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.757 102.8 70.7 -60.2 -21.3 72.2 41.8 -71.1 236 239 A S T 3 + 0 0 102 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.382 67.6 125.6 -76.6 3.3 70.9 43.1 -67.8 237 240 A F S < S- 0 0 18 -3,-2.2 -19,-0.0 1,-0.1 -4,-0.0 -0.403 73.4-104.3 -60.1 135.9 68.5 45.5 -69.5 238 241 A P - 0 0 57 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.290 30.1-121.1 -60.3 156.1 65.0 44.9 -68.1 239 242 A K + 0 0 173 -3,-0.1 2,-0.4 -22,-0.1 -25,-0.0 -0.816 35.7 179.0-102.5 95.7 62.7 43.0 -70.5 240 243 A W - 0 0 68 -2,-0.9 -22,-2.8 -21,-0.1 2,-0.2 -0.779 25.0-127.7 -95.9 140.2 59.7 45.1 -71.1 241 244 A A - 0 0 57 -2,-0.4 -24,-0.4 -24,-0.2 2,-0.2 -0.516 35.6 -95.2 -81.8 153.8 57.0 43.8 -73.5 242 245 A R - 0 0 121 -26,-0.3 2,-0.2 -2,-0.2 -26,-0.2 -0.478 41.0-129.0 -69.7 140.6 55.8 46.1 -76.3 243 246 A Q - 0 0 88 -28,-2.3 5,-0.1 -2,-0.2 -1,-0.1 -0.603 33.2 -86.8 -90.9 153.3 52.8 48.1 -75.5 244 247 A D >> - 0 0 113 -2,-0.2 3,-1.1 1,-0.2 4,-0.5 -0.321 34.2-138.5 -55.9 133.5 49.7 48.3 -77.7 245 248 A F H >> S+ 0 0 29 1,-0.2 4,-1.3 2,-0.2 3,-0.6 0.749 98.3 67.8 -70.9 -22.1 50.3 51.0 -80.2 246 249 A S H 34 S+ 0 0 51 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.666 97.5 55.1 -70.2 -15.4 46.7 52.3 -79.9 247 250 A K H <4 S+ 0 0 160 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.726 102.3 61.1 -86.7 -22.5 47.6 53.3 -76.4 248 251 A V H << S+ 0 0 24 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.1 0.953 117.0 13.1 -72.3 -56.4 50.5 55.4 -77.7 249 252 A V S >< S- 0 0 0 -4,-1.3 3,-2.7 3,-0.1 -1,-0.2 -0.344 83.6-167.2-123.8 58.4 49.0 58.0 -80.0 250 253 A P T 3 + 0 0 71 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.622 69.9 24.6 -81.7 147.7 45.3 58.3 -79.6 251 254 A P T 3 S+ 0 0 125 0, 0.0 2,-0.2 0, 0.0 -5,-0.0 -0.601 88.7 120.0-100.5 50.2 43.3 59.7 -81.4 252 255 A L < - 0 0 7 -3,-2.7 -3,-0.1 -6,-0.1 5,-0.1 -0.541 66.6-116.6 -70.8 134.7 45.6 59.4 -84.4 253 256 A D > - 0 0 59 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.103 29.5 -96.7 -66.4 171.5 43.9 57.5 -87.2 254 257 A E H > S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.826 122.5 54.4 -61.6 -35.8 45.3 54.2 -88.4 255 258 A D H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.933 112.3 46.2 -64.7 -41.8 47.2 55.6 -91.4 256 259 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.912 113.4 47.3 -64.9 -43.5 49.0 58.0 -89.0 257 260 A R H X S+ 0 0 55 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.866 111.4 52.1 -66.0 -35.7 49.7 55.2 -86.5 258 261 A S H X S+ 0 0 44 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.935 112.0 45.7 -65.5 -45.7 51.0 53.0 -89.3 259 262 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.918 113.4 49.7 -62.6 -44.6 53.3 55.8 -90.5 260 263 A L H >X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 3,-0.5 0.920 106.9 54.0 -62.2 -45.3 54.5 56.5 -87.0 261 264 A S H 3< S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.871 108.9 50.2 -59.2 -34.1 55.3 52.9 -86.2 262 265 A Q H >< S+ 0 0 68 -4,-1.5 10,-1.9 1,-0.2 3,-0.6 0.786 109.1 51.5 -74.4 -25.3 57.5 52.7 -89.3 263 266 A M H << S+ 0 0 0 -4,-1.3 -76,-0.2 -3,-0.5 -1,-0.2 0.730 111.9 48.3 -79.9 -21.5 59.2 55.9 -88.2 264 267 A L T 3< S+ 0 0 2 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.116 74.8 139.5-107.2 21.3 59.9 54.3 -84.8 265 268 A H < - 0 0 69 -3,-0.6 6,-0.1 1,-0.1 -3,-0.1 -0.442 53.6-134.8 -62.8 137.4 61.2 50.9 -85.9 266 269 A Y S S+ 0 0 16 -50,-0.1 -97,-0.2 -2,-0.1 -1,-0.1 0.919 88.5 74.4 -59.7 -47.4 64.2 49.9 -83.6 267 270 A D S >> S- 0 0 13 -44,-0.4 3,-2.2 1,-0.2 4,-1.7 -0.595 75.3-148.0 -75.4 112.3 66.4 48.8 -86.5 268 271 A P T 34 S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.827 99.0 56.3 -46.5 -37.5 67.7 51.9 -88.3 269 272 A N T 34 S+ 0 0 147 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.711 108.6 44.1 -70.9 -23.9 67.7 49.8 -91.5 270 273 A K T <4 S+ 0 0 95 -3,-2.2 -1,-0.2 2,-0.1 3,-0.1 0.641 89.1 108.7 -91.4 -20.5 64.0 48.9 -91.2 271 274 A R S < S- 0 0 13 -4,-1.7 -8,-0.2 -6,-0.1 -9,-0.1 -0.349 81.1-107.3 -59.3 132.9 63.0 52.5 -90.3 272 275 A I - 0 0 20 -10,-1.9 2,-0.1 -13,-0.2 -1,-0.1 -0.252 31.9-123.7 -61.3 146.8 61.2 54.2 -93.2 273 276 A S > - 0 0 59 1,-0.1 4,-2.3 -3,-0.1 5,-0.1 -0.459 21.0-111.6 -86.2 169.0 63.1 56.8 -95.2 274 277 A A H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -160,-0.1 0.915 118.6 52.2 -66.0 -42.2 61.8 60.4 -95.6 275 278 A K H 4 S+ 0 0 172 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.940 112.3 43.8 -59.7 -48.6 61.2 59.7 -99.3 276 279 A A H >4 S+ 0 0 46 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.888 109.1 57.8 -65.1 -38.5 59.2 56.5 -98.7 277 280 A A H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.3 6,-0.2 0.840 97.2 62.6 -61.5 -33.0 57.2 58.2 -95.9 278 281 A L T 3< S+ 0 0 46 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.717 103.0 50.1 -65.4 -20.6 56.1 61.0 -98.3 279 282 A A T < S+ 0 0 83 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.438 83.3 122.4 -95.9 -2.0 54.3 58.3 -100.3 280 283 A H S X S- 0 0 15 -3,-1.4 3,-2.3 -4,-0.3 4,-0.1 -0.344 74.7-120.5 -62.5 138.4 52.6 56.9 -97.3 281 284 A P G > S+ 0 0 60 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.645 105.4 80.6 -56.1 -14.2 48.8 56.9 -97.6 282 285 A F G > S+ 0 0 2 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.869 92.2 51.3 -59.9 -33.1 48.6 59.2 -94.5 283 286 A F G X S+ 0 0 10 -3,-2.3 3,-1.5 -6,-0.2 -1,-0.3 0.314 76.4 104.8 -89.0 12.1 49.5 62.1 -96.9 284 287 A Q G < S+ 0 0 173 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.878 92.2 31.9 -59.7 -39.7 46.7 61.3 -99.4 285 288 A D G < S+ 0 0 108 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.044 87.6 148.5-107.2 27.2 44.6 64.2 -98.2 286 289 A V < + 0 0 41 -3,-1.5 2,-0.2 -183,-0.1 -185,-0.1 -0.367 16.8 168.8 -65.2 137.5 47.5 66.5 -97.2 287 290 A T - 0 0 83 -187,-0.4 -2,-0.0 -2,-0.1 -1,-0.0 -0.688 38.2-111.0-132.9-175.8 46.8 70.3 -97.5 288 291 A K - 0 0 124 -2,-0.2 -187,-0.1 -184,-0.0 -150,-0.1 -0.680 36.6-176.8-127.7 80.3 48.6 73.4 -96.4 289 292 A P - 0 0 34 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.212 26.4-120.8 -69.2 164.2 46.5 75.2 -93.7 290 293 A V - 0 0 111 -153,-0.0 2,-0.1 3,-0.0 -154,-0.1 -0.909 28.2-133.0-107.3 133.4 47.7 78.5 -92.3 291 294 A P - 0 0 15 0, 0.0 2,-0.9 0, 0.0 -154,-0.1 -0.473 15.2-114.3 -85.8 162.2 48.3 78.6 -88.5 292 295 A H - 0 0 136 -2,-0.1 2,-0.4 2,-0.0 -157,-0.0 -0.837 41.6-170.1 -93.1 106.4 47.1 81.1 -86.0 293 296 A L - 0 0 25 -2,-0.9 2,-0.7 -158,-0.1 -158,-0.0 -0.866 17.8-155.9-104.5 133.3 50.3 82.7 -84.8 294 297 A R 0 0 123 -2,-0.4 -2,-0.0 1,-0.2 -203,-0.0 -0.935 360.0 360.0-105.5 111.5 50.6 85.1 -81.9 295 298 A L 0 0 165 -2,-0.7 -1,-0.2 -212,-0.0 0, 0.0 0.807 360.0 360.0-106.2 360.0 53.7 87.2 -82.4