==== 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 22-MAR-11 3R7E . 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) . 14824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 62.2 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 . 38 12.9 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 . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 25.9 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 3 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 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 93 0, 0.0 5,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-112.4 79.4 57.1 -48.2 2 2 A E + 0 0 144 1,-0.1 22,-0.0 3,-0.1 3,-0.0 0.607 360.0 55.8-101.9 -18.2 79.6 60.7 -49.4 3 3 A N S S+ 0 0 101 1,-0.1 21,-2.2 20,-0.1 2,-0.5 0.679 106.9 62.5 -84.6 -20.5 77.9 60.2 -52.7 4 4 A F E S-A 23 0A 23 19,-0.2 2,-0.8 20,-0.1 19,-0.2 -0.914 73.4-148.3-111.9 130.6 74.9 58.7 -50.9 5 5 A Q E -A 22 0A 97 17,-2.2 17,-1.9 -2,-0.5 2,-0.2 -0.869 27.7-126.5 -98.3 112.2 72.8 60.6 -48.4 6 6 A K E -A 21 0A 111 -2,-0.8 15,-0.3 -5,-0.2 3,-0.1 -0.395 23.8-173.5 -60.9 123.0 71.6 58.0 -45.8 7 7 A V E - 0 0 63 13,-3.2 2,-0.3 1,-0.4 14,-0.2 0.792 63.8 -50.3 -86.3 -31.9 67.8 58.2 -45.5 8 8 A E E -A 20 0A 117 12,-1.4 12,-2.9 3,-0.0 2,-0.6 -0.927 61.4 -75.4 171.0 168.0 67.8 55.8 -42.5 9 9 A K E -A 19 0A 106 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.762 30.8-170.0 -86.4 117.7 69.0 52.4 -41.2 10 10 A I E - 0 0 77 8,-2.3 2,-0.3 -2,-0.6 9,-0.2 0.629 58.5 -83.5 -80.9 -14.5 67.0 49.6 -42.8 11 11 A G E -A 18 0A 25 7,-1.4 7,-2.7 -3,-0.1 -1,-0.3 -0.959 42.4 -72.4 147.4-164.7 68.6 47.2 -40.3 12 12 A E E -A 17 0A 92 -2,-0.3 5,-0.2 5,-0.3 21,-0.0 -0.665 49.9-162.9-136.6 79.5 71.6 45.1 -39.6 13 13 A G - 0 0 17 3,-0.6 143,-0.0 -2,-0.3 -2,-0.0 0.360 41.6 -83.7 -49.3-174.9 71.7 42.0 -41.9 14 14 A T S S+ 0 0 12 1,-0.1 140,-0.1 141,-0.1 -1,-0.1 0.369 129.6 36.6 -77.8 4.6 73.6 38.8 -41.5 15 15 A Y S S- 0 0 29 1,-0.4 21,-0.6 141,-0.0 2,-0.2 0.674 125.0 -52.9-119.9 -52.4 76.6 40.6 -43.1 16 16 A G S S- 0 0 2 19,-0.2 -3,-0.6 20,-0.1 -1,-0.4 -0.878 76.6 -36.3-167.5-162.1 76.6 44.2 -41.9 17 17 A V E -A 12 0A 20 17,-0.4 17,-2.9 -2,-0.2 2,-0.4 -0.565 49.2-153.3 -81.4 141.2 74.5 47.4 -41.5 18 18 A V E -AB 11 33A 22 -7,-2.7 -8,-2.3 -2,-0.2 -7,-1.4 -0.957 11.1-172.8-118.9 131.6 72.0 48.3 -44.3 19 19 A Y E -AB 9 32A 46 13,-3.1 13,-3.3 -2,-0.4 2,-0.5 -0.876 26.2-130.3-121.8 152.1 70.9 51.8 -45.1 20 20 A K E +AB 8 31A 45 -12,-2.9 -13,-3.2 -2,-0.3 -12,-1.4 -0.867 45.3 175.9 -93.2 133.9 68.2 53.2 -47.4 21 21 A A E -AB 6 30A 0 9,-2.7 9,-3.3 -2,-0.5 2,-0.4 -0.985 29.8-136.3-144.8 154.1 70.1 55.9 -49.3 22 22 A R E -AB 5 29A 116 -17,-1.9 -17,-2.2 -2,-0.3 2,-0.7 -0.921 23.6-125.8-112.0 134.8 69.6 58.4 -52.1 23 23 A N E > -A 4 0A 26 5,-3.1 4,-2.5 -2,-0.4 -19,-0.2 -0.693 18.6-147.2 -76.6 116.3 72.2 59.0 -54.9 24 24 A K T 4 S+ 0 0 122 -21,-2.2 -1,-0.2 -2,-0.7 -20,-0.1 0.763 94.2 35.9 -58.1 -26.1 72.7 62.7 -54.7 25 25 A L T 4 S+ 0 0 166 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.851 126.9 32.1 -96.3 -41.8 73.3 62.8 -58.5 26 26 A T T 4 S- 0 0 91 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.621 92.4-138.1 -90.4 -14.8 70.9 60.3 -60.0 27 27 A G < + 0 0 41 -4,-2.5 -3,-0.1 1,-0.2 2,-0.0 0.413 51.6 148.9 72.7 -4.2 68.3 60.9 -57.3 28 28 A E - 0 0 82 -6,-0.1 -5,-3.1 -5,-0.1 2,-0.5 -0.322 44.5-135.7 -66.7 144.0 67.8 57.1 -57.1 29 29 A V E +B 22 0A 54 -7,-0.2 50,-0.6 -3,-0.1 -7,-0.2 -0.887 36.4 164.0-101.3 126.6 66.8 55.5 -53.8 30 30 A V E -BC 21 78A 1 -9,-3.3 -9,-2.7 -2,-0.5 2,-0.6 -0.779 42.1-107.2-135.9 177.5 68.7 52.3 -53.0 31 31 A A E -BC 20 77A 15 46,-2.3 46,-2.8 -2,-0.2 2,-0.6 -0.963 33.8-161.0-110.9 119.7 69.6 49.9 -50.3 32 32 A L E -BC 19 76A 2 -13,-3.3 -13,-3.1 -2,-0.6 2,-0.6 -0.912 2.5-163.7-109.1 122.4 73.3 50.3 -49.3 33 33 A K E -BC 18 75A 9 42,-2.8 42,-2.1 -2,-0.6 2,-0.8 -0.914 9.7-151.0-110.5 121.2 74.9 47.4 -47.4 34 34 A K E - C 0 74A 49 -17,-2.9 -17,-0.4 -2,-0.6 2,-0.3 -0.810 22.0-143.8 -89.5 111.4 78.2 47.9 -45.5 35 35 A I E C 0 73A 14 38,-3.4 38,-0.9 -2,-0.8 -19,-0.2 -0.606 360.0 360.0 -81.4 135.9 80.0 44.6 -45.6 36 36 A R 0 0 159 -21,-0.6 -1,-0.1 -2,-0.3 -20,-0.1 0.936 360.0 360.0 -62.2 360.0 82.0 43.5 -42.6 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 97 0, 0.0 34,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -47.2 87.4 43.3 -42.3 39 42 A E + 0 0 166 33,-0.0 32,-0.1 0, 0.0 33,-0.1 0.371 360.0 5.2-139.7 -1.0 91.1 43.9 -43.1 40 43 A G S S- 0 0 49 31,-0.2 31,-0.2 30,-0.1 32,-0.1 0.468 77.8-134.0-151.7 -41.1 91.7 42.8 -46.6 41 44 A V - 0 0 22 30,-0.1 5,-0.1 1,-0.1 30,-0.1 0.937 36.3 -99.7 71.0 93.4 88.6 41.7 -48.6 42 45 A P > - 0 0 85 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.152 22.6-145.7 -44.2 119.2 89.3 38.5 -50.5 43 46 A S H > S+ 0 0 63 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.786 104.4 58.9 -59.6 -25.5 90.1 39.5 -54.1 44 47 A T H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.909 102.9 52.6 -67.7 -41.2 88.3 36.2 -54.8 45 48 A A H > S+ 0 0 2 -3,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.912 106.8 51.0 -60.6 -46.1 85.3 37.5 -53.0 46 49 A I H X S+ 0 0 42 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.852 109.4 50.0 -63.8 -34.8 85.2 40.7 -55.1 47 50 A R H X S+ 0 0 141 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.929 112.2 47.8 -69.1 -43.3 85.4 38.8 -58.4 48 51 A E H >X S+ 0 0 51 -4,-2.1 4,-1.2 2,-0.2 3,-0.6 0.951 113.6 47.0 -59.6 -52.6 82.5 36.5 -57.4 49 52 A I H >X S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 4,-0.5 0.931 108.6 55.0 -56.8 -47.8 80.4 39.5 -56.2 50 53 A S H >< S+ 0 0 51 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.795 101.6 59.2 -57.9 -28.6 81.1 41.4 -59.4 51 54 A L H X< S+ 0 0 97 -4,-1.4 3,-1.8 -3,-0.6 4,-0.3 0.872 96.0 63.5 -67.8 -34.6 79.8 38.4 -61.4 52 55 A L H X< S+ 0 0 21 -4,-1.2 3,-1.1 -3,-0.9 11,-0.3 0.680 84.0 74.2 -63.7 -19.3 76.5 38.8 -59.7 53 56 A K T << S+ 0 0 65 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.691 95.5 53.0 -67.3 -17.1 75.9 42.2 -61.2 54 57 A E T < S+ 0 0 151 -3,-1.8 2,-1.8 -4,-0.2 -1,-0.3 0.565 82.5 97.2 -92.1 -11.2 75.2 40.4 -64.4 55 58 A L < + 0 0 16 -3,-1.1 2,-0.5 -4,-0.3 8,-0.2 -0.546 56.3 166.1 -80.9 79.1 72.6 38.1 -62.8 56 59 A N + 0 0 78 -2,-1.8 5,-0.1 6,-0.1 -3,-0.0 -0.849 6.2 141.0-106.9 126.7 69.5 40.1 -63.8 57 60 A H > - 0 0 40 -2,-0.5 3,-2.0 3,-0.4 54,-0.0 -0.979 57.1-112.1-156.5 147.4 65.9 38.8 -63.5 58 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.735 117.5 47.1 -56.5 -23.9 62.6 40.4 -62.6 59 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.8 48,-0.1 2,-0.5 0.150 98.3 82.0-106.6 20.5 62.4 38.3 -59.4 60 63 A I B < S-e 140 0B 7 -3,-2.0 -3,-0.4 79,-0.3 2,-0.3 -0.992 87.0-116.6-125.3 124.0 65.9 38.9 -58.3 61 64 A V - 0 0 10 79,-2.4 81,-0.2 -2,-0.5 82,-0.2 -0.423 42.2-116.7 -58.7 119.0 66.8 42.1 -56.4 62 65 A K - 0 0 95 -2,-0.3 16,-2.3 -4,-0.1 2,-0.9 -0.398 13.5-141.6 -67.3 130.1 69.2 43.8 -58.7 63 66 A L E -D 77 0A 10 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.824 22.7-178.7 -89.4 106.1 72.8 44.3 -57.5 64 67 A L E - 0 0 36 12,-2.0 2,-0.3 -2,-0.9 13,-0.2 0.903 56.7 -4.9 -76.1 -43.3 73.5 47.8 -58.9 65 68 A D E -D 76 0A 87 11,-1.6 11,-3.0 2,-0.0 2,-0.5 -0.999 45.8-148.7-155.2 155.9 77.1 48.3 -57.7 66 69 A V E -D 75 0A 31 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.996 21.1-169.3-124.7 121.7 80.0 46.8 -55.7 67 70 A I E -D 74 0A 54 7,-3.1 7,-2.9 -2,-0.5 2,-0.6 -0.942 3.8-167.9-120.4 114.3 82.3 49.4 -54.1 68 71 A H E +D 73 0A 91 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.889 26.3 139.3-104.7 118.0 85.6 48.3 -52.5 69 72 A T E > -D 72 0A 37 3,-2.8 3,-1.9 -2,-0.6 -2,-0.1 -0.950 63.6 -3.3-157.9 136.8 87.4 51.0 -50.4 70 73 A E T 3 S- 0 0 139 -2,-0.3 3,-0.1 1,-0.3 -30,-0.1 0.891 122.7 -57.3 47.8 56.4 89.3 50.9 -47.1 71 74 A N T 3 S+ 0 0 74 1,-0.2 2,-0.4 -31,-0.2 -1,-0.3 0.532 119.1 114.5 58.2 0.6 88.8 47.2 -46.2 72 75 A K E < - D 0 69A 88 -3,-1.9 -3,-2.8 -33,-0.1 2,-0.5 -0.850 52.1-162.3-103.7 139.0 85.1 48.2 -46.5 73 76 A L E -CD 35 68A 4 -38,-0.9 -38,-3.4 -2,-0.4 2,-0.4 -0.990 4.7-164.5-124.4 123.3 82.9 46.7 -49.2 74 77 A Y E -CD 34 67A 29 -7,-2.9 -7,-3.1 -2,-0.5 2,-0.5 -0.902 2.9-161.3-109.9 135.4 79.6 48.4 -50.1 75 78 A L E -CD 33 66A 0 -42,-2.1 -42,-2.8 -2,-0.4 2,-0.6 -0.974 6.4-154.9-116.6 129.2 76.9 46.7 -52.1 76 79 A V E -CD 32 65A 4 -11,-3.0 -12,-2.0 -2,-0.5 -11,-1.6 -0.931 19.2-179.2-107.8 122.0 74.3 48.9 -53.7 77 80 A F E -CD 31 63A 20 -46,-2.8 -46,-2.3 -2,-0.6 -14,-0.2 -0.816 36.2 -95.1-119.1 157.2 70.9 47.1 -54.4 78 81 A E E -C 30 0A 47 -16,-2.3 2,-0.4 -2,-0.3 -48,-0.2 -0.419 51.0-120.0 -65.6 147.4 67.6 48.1 -55.9 79 82 A F - 0 0 44 -50,-0.6 2,-0.4 -2,-0.0 -50,-0.1 -0.762 30.5-179.4 -99.1 137.5 65.3 49.2 -53.1 80 83 A L - 0 0 17 -2,-0.4 53,-0.1 53,-0.1 3,-0.0 -0.974 27.2-132.2-129.7 145.5 61.9 47.6 -52.2 81 84 A H S S+ 0 0 107 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.601 77.4 23.3 -76.9 -15.3 59.7 48.8 -49.3 82 85 A Q E -F 132 0B 15 50,-1.1 50,-2.8 211,-0.0 2,-0.2 -0.999 60.3-139.3-152.8 151.6 58.8 45.6 -47.4 83 86 A D E > -F 131 0B 45 -2,-0.3 4,-2.0 48,-0.3 48,-0.2 -0.695 32.3-112.1-106.1 163.8 60.0 42.1 -46.8 84 87 A L H > S+ 0 0 0 46,-2.7 4,-2.6 43,-1.1 44,-0.2 0.775 113.4 61.0 -67.0 -26.4 57.8 39.0 -46.6 85 88 A K H > S+ 0 0 95 42,-0.7 4,-2.2 45,-0.3 -1,-0.2 0.965 108.7 43.8 -63.8 -47.7 58.4 38.5 -42.9 86 89 A K H > S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.921 113.9 50.9 -61.5 -44.0 56.8 41.9 -42.2 87 90 A F H X S+ 0 0 10 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.882 109.3 50.8 -62.8 -39.8 54.0 41.2 -44.6 88 91 A M H < S+ 0 0 18 -4,-2.6 3,-0.4 2,-0.2 4,-0.2 0.892 109.5 49.6 -66.8 -40.0 53.2 37.8 -43.0 89 92 A D H >< S+ 0 0 103 -4,-2.2 3,-1.4 1,-0.2 4,-0.3 0.942 111.3 49.9 -63.5 -43.2 53.1 39.4 -39.5 90 93 A A H 3< S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.665 114.8 44.7 -67.1 -17.3 50.7 42.1 -40.9 91 94 A S T 3X S+ 0 0 21 -4,-0.8 4,-3.1 -3,-0.4 3,-0.4 0.266 81.5 108.2-108.9 8.6 48.6 39.4 -42.5 92 95 A A T <4 S+ 0 0 44 -3,-1.4 -1,-0.1 -4,-0.2 -2,-0.1 0.802 72.2 56.1 -56.7 -37.1 48.6 37.1 -39.4 93 96 A L T 4 S+ 0 0 163 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.881 129.0 11.3 -67.9 -39.5 44.9 37.7 -38.4 94 97 A T T 4 S- 0 0 116 -3,-0.4 -2,-0.2 1,-0.0 -1,-0.2 0.533 105.2-126.7-116.5 -9.4 43.3 36.7 -41.7 95 98 A G < - 0 0 7 -4,-3.1 -3,-0.1 -7,-0.2 99,-0.1 0.242 34.7 -66.3 78.6 153.0 46.3 35.1 -43.5 96 99 A I - 0 0 11 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.615 64.4-106.3 -72.8 128.7 47.7 35.8 -47.0 97 100 A P >> - 0 0 79 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.242 24.8-118.3 -57.3 147.2 45.0 34.8 -49.5 98 101 A L H 3> S+ 0 0 64 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.872 112.6 57.0 -55.9 -41.8 45.8 31.6 -51.5 99 102 A P H 3> S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 188,-0.4 0.888 111.3 44.7 -59.2 -33.9 45.9 33.3 -54.9 100 103 A L H <> S+ 0 0 4 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.856 111.3 51.2 -76.9 -36.2 48.6 35.6 -53.5 101 104 A I H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.944 113.3 47.4 -62.9 -45.1 50.6 32.8 -51.8 102 105 A K H X S+ 0 0 13 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.902 111.1 49.6 -64.2 -41.7 50.5 31.0 -55.1 103 106 A S H X S+ 0 0 4 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.943 113.2 47.0 -62.5 -47.8 51.6 34.0 -57.1 104 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.926 112.2 48.9 -59.8 -47.0 54.5 34.6 -54.7 105 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.926 112.0 50.4 -59.5 -43.3 55.6 31.0 -54.8 106 109 A F H X S+ 0 0 54 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.896 111.9 46.0 -60.7 -46.0 55.4 30.9 -58.6 107 110 A Q H X S+ 0 0 14 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.886 112.1 51.4 -67.0 -39.2 57.5 34.1 -58.9 108 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.910 109.5 50.2 -65.4 -40.0 60.1 32.9 -56.4 109 112 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.871 108.3 52.2 -66.5 -35.1 60.4 29.6 -58.3 110 113 A Q H X S+ 0 0 61 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.938 111.2 49.1 -64.9 -41.7 61.0 31.5 -61.6 111 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.928 113.1 45.2 -60.8 -47.8 63.7 33.5 -59.7 112 115 A L H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.937 109.9 55.1 -62.1 -46.4 65.3 30.3 -58.4 113 116 A A H X S+ 0 0 23 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.922 109.8 48.2 -52.6 -45.3 65.1 28.6 -61.8 114 117 A F H X S+ 0 0 46 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.965 114.7 42.8 -60.8 -55.1 66.9 31.5 -63.3 115 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-0.6 0.915 114.8 50.7 -58.9 -44.1 69.7 31.6 -60.7 116 119 A H H ><5S+ 0 0 29 -4,-3.3 3,-1.6 1,-0.2 -1,-0.2 0.855 104.8 55.5 -63.6 -36.0 70.1 27.8 -60.7 117 120 A S H 3<5S+ 0 0 88 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.751 110.5 48.7 -68.3 -20.4 70.4 27.7 -64.5 118 121 A H T <<5S- 0 0 103 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.236 120.4-112.3-100.7 12.5 73.3 30.1 -64.1 119 122 A R T < 5S+ 0 0 218 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.828 72.7 135.6 59.7 38.0 74.9 28.0 -61.4 120 123 A V < - 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0 0 16 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.298 29.7-141.4 -56.7 139.1 57.1 28.6 -39.0 199 202 A L S S+ 0 0 28 -11,-0.4 -1,-0.1 1,-0.3 -34,-0.1 0.957 90.4 13.7 -68.8 -51.2 57.3 25.0 -40.1 200 203 A F - 0 0 3 -36,-0.3 2,-1.9 2,-0.1 -1,-0.3 -0.724 69.0-179.6-128.5 81.1 60.5 24.0 -38.2 201 204 A P + 0 0 37 0, 0.0 -37,-0.1 0, 0.0 7,-0.1 -0.313 16.2 177.0 -83.1 63.8 61.4 26.7 -35.7 202 205 A G - 0 0 3 -2,-1.9 -39,-0.5 1,-0.1 -38,-0.2 -0.286 24.3-161.9 -66.2 144.7 64.6 25.1 -34.3 203 206 A D S S+ 0 0 138 1,-0.1 2,-0.3 -41,-0.1 -1,-0.1 0.258 77.0 20.1-112.0 15.0 66.6 27.0 -31.7 204 207 A S S > S- 0 0 46 1,-0.1 4,-2.5 -41,-0.0 5,-0.2 -0.935 90.2 -97.8-165.8 164.6 69.8 25.0 -32.2 205 208 A E H > S+ 0 0 118 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.914 123.7 43.2 -61.9 -40.7 71.2 22.9 -34.9 206 209 A I H > S+ 0 0 82 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.868 113.1 50.9 -73.6 -34.9 70.1 19.6 -33.2 207 210 A D H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 110.2 52.3 -67.7 -35.4 66.7 21.0 -32.3 208 211 A Q H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.960 112.2 44.8 -61.6 -50.5 66.3 22.1 -36.0 209 212 A L H X S+ 0 0 6 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.929 114.5 47.7 -60.2 -46.2 67.2 18.6 -37.2 210 213 A F H X S+ 0 0 38 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.821 108.0 55.0 -69.0 -30.0 65.0 16.8 -34.6 211 214 A R H X S+ 0 0 91 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.925 110.9 46.4 -66.0 -42.1 62.0 19.1 -35.4 212 215 A I H >X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 3,-1.0 0.973 114.1 47.6 -62.1 -51.6 62.4 18.1 -39.1 213 216 A F H 3X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.3 -2,-0.2 0.882 106.7 57.5 -56.2 -41.6 62.7 14.4 -38.1 214 217 A R H 3< S+ 0 0 98 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.778 118.1 32.4 -62.0 -26.6 59.7 14.6 -35.8 215 218 A T H << S+ 0 0 35 -4,-1.1 28,-2.6 -3,-1.0 -2,-0.2 0.871 130.6 29.7 -96.8 -47.8 57.5 15.8 -38.7 216 219 A L H < S- 0 0 6 -4,-3.1 26,-0.3 26,-0.2 -3,-0.2 0.475 115.5-103.8 -94.0 -1.7 58.9 14.1 -41.8 217 220 A G < - 0 0 6 -4,-2.0 24,-0.2 -5,-0.4 -1,-0.2 0.179 44.5 -69.2 91.6 145.5 60.2 11.0 -40.0 218 221 A T - 0 0 17 22,-2.5 24,-0.1 -4,-0.1 -8,-0.0 -0.565 63.6-118.1 -67.8 127.0 63.8 10.2 -39.1 219 222 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.307 37.5 178.9 -68.2 151.6 65.5 9.6 -42.5 220 223 A D > - 0 0 71 -3,-0.0 4,-2.6 7,-0.0 7,-0.2 -0.813 48.0 -83.2-139.0-179.7 67.0 6.2 -43.3 221 224 A E T 4 S+ 0 0 82 -2,-0.3 6,-0.0 1,-0.2 5,-0.0 0.729 121.7 61.1 -61.7 -23.5 68.7 4.5 -46.2 222 225 A V T 4 S+ 0 0 121 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.988 117.1 25.8 -68.3 -57.6 65.4 3.6 -47.8 223 226 A V T 4 S+ 0 0 71 1,-0.2 44,-0.5 43,-0.0 -2,-0.2 0.781 137.0 29.6 -79.0 -25.1 64.2 7.2 -48.3 224 227 A W S >< S- 0 0 4 -4,-2.6 3,-2.4 42,-0.1 4,-0.3 -0.664 78.5-149.6-138.0 83.3 67.6 8.8 -48.4 225 228 A P T 3 S+ 0 0 74 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.249 86.0 16.6 -52.4 129.9 70.4 6.6 -49.8 226 229 A G T > S+ 0 0 32 41,-0.0 3,-2.0 4,-0.0 4,-0.3 0.209 86.2 120.0 92.1 -14.6 73.7 7.6 -48.2 227 230 A V G X + 0 0 0 -3,-2.4 3,-1.5 1,-0.3 6,-0.1 0.834 68.9 58.8 -53.6 -37.3 72.2 9.5 -45.2 228 231 A T G 3 S+ 0 0 57 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.568 103.7 53.9 -72.7 -6.2 73.8 7.2 -42.6 229 232 A S G < S+ 0 0 105 -3,-2.0 -1,-0.3 5,-0.0 -2,-0.2 0.332 80.6 121.9-106.3 3.3 77.3 8.0 -43.9 230 233 A M S X S- 0 0 34 -3,-1.5 3,-1.9 -4,-0.3 -57,-0.1 -0.383 76.9-105.1 -70.6 148.7 76.9 11.8 -43.7 231 234 A P T 3 S+ 0 0 64 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.798 115.0 27.3 -36.8 -53.5 79.5 13.7 -41.5 232 235 A D T 3 S+ 0 0 77 -60,-2.9 2,-0.2 2,-0.1 -59,-0.2 0.246 87.8 124.1-104.0 14.3 77.2 14.5 -38.6 233 236 A Y < - 0 0 30 -3,-1.9 -5,-0.0 -61,-0.4 3,-0.0 -0.540 42.0-163.8 -73.5 140.1 74.8 11.6 -38.8 234 237 A K > - 0 0 102 -2,-0.2 3,-2.3 1,-0.1 -2,-0.1 -0.992 24.9-143.1-128.1 130.7 74.6 9.6 -35.6 235 238 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.730 102.0 69.0 -62.1 -17.3 73.1 6.1 -35.2 236 239 A S T 3 + 0 0 103 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.466 68.6 122.8 -81.9 -0.2 71.8 7.3 -31.9 237 240 A F S < S- 0 0 13 -3,-2.3 -19,-0.0 1,-0.1 -4,-0.0 -0.348 73.8-106.2 -57.9 136.9 69.3 9.7 -33.5 238 241 A P - 0 0 56 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.356 29.0-123.7 -65.5 154.0 65.8 8.9 -32.2 239 242 A K + 0 0 122 -3,-0.1 2,-0.3 -22,-0.0 -25,-0.0 -0.856 33.9 179.7-104.6 101.0 63.6 7.2 -34.8 240 243 A W - 0 0 77 -2,-0.8 -22,-2.5 -27,-0.0 2,-0.2 -0.787 26.0-121.6-100.7 142.7 60.4 9.2 -35.3 241 244 A A - 0 0 73 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.0 -0.562 35.4 -98.9 -81.6 147.3 57.6 8.1 -37.7 242 245 A R - 0 0 121 -26,-0.3 2,-0.2 -2,-0.2 -26,-0.2 -0.358 38.2-130.4 -64.0 141.5 56.6 10.4 -40.5 243 246 A Q - 0 0 73 -28,-2.6 2,-0.1 1,-0.1 -1,-0.1 -0.647 31.1 -90.0 -93.2 154.2 53.4 12.4 -39.8 244 247 A D >> - 0 0 103 -2,-0.2 3,-1.7 1,-0.2 4,-0.7 -0.399 30.9-136.5 -61.4 130.5 50.5 12.7 -42.2 245 248 A F H >> S+ 0 0 26 1,-0.3 4,-1.5 2,-0.2 3,-0.9 0.810 101.1 67.6 -60.2 -30.2 51.1 15.6 -44.5 246 249 A S H 34 S+ 0 0 51 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.708 100.2 49.9 -63.7 -20.6 47.4 16.7 -44.1 247 250 A K H <4 S+ 0 0 140 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.660 105.3 61.4 -89.8 -17.3 48.2 17.5 -40.4 248 251 A V H << S+ 0 0 24 -3,-0.9 -2,-0.2 -4,-0.7 -3,-0.1 0.942 120.0 11.6 -76.4 -51.7 51.3 19.5 -41.5 249 252 A V S >< S- 0 0 0 -4,-1.5 3,-2.5 3,-0.1 -1,-0.2 -0.218 90.7-160.1-124.7 48.6 49.8 22.3 -43.6 250 253 A P T 3 + 0 0 67 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.401 69.0 23.2 -65.7 147.5 46.0 22.2 -43.1 251 254 A P T 3 S+ 0 0 123 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 -0.762 87.4 123.8-101.6 37.4 43.9 23.4 -44.9 252 255 A L < - 0 0 8 -3,-2.5 -3,-0.1 1,-0.1 -61,-0.0 -0.276 62.6-116.6 -55.7 136.6 46.1 23.4 -48.0 253 256 A D > - 0 0 60 1,-0.1 4,-2.8 -3,-0.1 3,-0.2 -0.183 29.0 -96.9 -71.7 168.0 44.5 21.4 -50.9 254 257 A E H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.782 122.4 56.8 -59.3 -31.5 46.1 18.3 -52.4 255 258 A D H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.953 113.1 41.8 -63.2 -47.7 47.7 20.2 -55.3 256 259 A G H > S+ 0 0 0 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.911 114.9 49.3 -63.7 -45.5 49.5 22.3 -52.7 257 260 A R H X S+ 0 0 65 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.905 110.3 52.4 -62.0 -41.4 50.4 19.4 -50.4 258 261 A S H X S+ 0 0 37 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.947 111.6 45.0 -59.9 -50.2 51.7 17.4 -53.3 259 262 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.2 0.951 113.2 50.6 -60.4 -46.5 54.0 20.2 -54.4 260 263 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 3,-0.3 0.919 106.7 54.8 -58.8 -41.1 55.2 20.9 -50.8 261 264 A S H < S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.890 108.9 48.0 -61.6 -36.0 56.0 17.2 -50.3 262 265 A Q H >< S+ 0 0 65 -4,-1.7 10,-2.3 -3,-0.2 3,-0.6 0.782 110.2 51.8 -74.3 -26.5 58.2 17.2 -53.4 263 266 A M H 3< S+ 0 0 0 -4,-1.7 -76,-0.2 -3,-0.3 -1,-0.2 0.711 112.1 47.8 -79.5 -20.5 60.0 20.4 -52.2 264 267 A L T 3< S+ 0 0 1 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.137 75.5 138.9-107.3 19.5 60.6 18.7 -48.8 265 268 A H < - 0 0 64 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.396 52.8-136.6 -60.5 138.4 62.0 15.3 -50.0 266 269 A Y S S+ 0 0 14 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.947 87.2 74.9 -63.7 -48.7 64.9 14.3 -47.8 267 270 A D S >> S- 0 0 16 -44,-0.5 4,-1.9 1,-0.2 3,-1.8 -0.542 75.5-148.2 -70.1 116.1 67.2 13.1 -50.7 268 271 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.761 98.3 57.9 -56.3 -24.2 68.4 16.3 -52.4 269 272 A N T 34 S+ 0 0 148 1,-0.2 -2,-0.1 -89,-0.0 -3,-0.0 0.704 108.9 41.5 -80.7 -20.6 68.4 14.3 -55.6 270 273 A K T <4 S+ 0 0 102 -3,-1.8 -1,-0.2 2,-0.1 3,-0.1 0.701 89.7 109.3 -96.1 -22.6 64.7 13.4 -55.4 271 274 A R S < S- 0 0 13 -4,-1.9 -8,-0.2 -6,-0.2 -9,-0.1 -0.251 81.4-102.9 -54.8 134.1 63.8 16.9 -54.3 272 275 A I - 0 0 21 -10,-2.3 2,-0.1 -13,-0.2 -1,-0.1 -0.237 32.4-124.4 -63.2 145.0 61.9 18.8 -57.1 273 276 A S > - 0 0 61 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.473 22.1-112.6 -84.0 163.0 63.8 21.4 -59.1 274 277 A A H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -161,-0.1 0.930 117.6 51.9 -61.1 -43.2 62.6 25.0 -59.5 275 278 A K H > S+ 0 0 165 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.931 111.8 43.2 -59.3 -50.5 61.9 24.3 -63.2 276 279 A A H >4 S+ 0 0 49 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.874 109.4 58.8 -65.1 -36.5 59.8 21.2 -62.7 277 280 A A H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.859 96.9 62.1 -61.8 -32.3 58.0 22.8 -59.8 278 281 A L H 3< S+ 0 0 40 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.795 102.5 51.2 -63.9 -26.4 56.8 25.6 -62.1 279 282 A A T << S+ 0 0 84 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.420 83.0 124.3 -90.8 2.1 55.0 22.9 -64.2 280 283 A H S X S- 0 0 18 -3,-1.6 3,-2.4 -4,-0.3 4,-0.1 -0.338 73.9-118.5 -66.4 139.5 53.2 21.4 -61.1 281 284 A P G > S+ 0 0 79 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.710 107.6 77.6 -49.3 -24.0 49.3 21.3 -61.4 282 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.841 93.2 50.6 -57.4 -31.0 49.2 23.6 -58.3 283 286 A F G X S+ 0 0 12 -3,-2.4 3,-1.4 -6,-0.2 -1,-0.3 0.273 77.0 107.3 -92.4 13.2 50.0 26.5 -60.6 284 287 A Q T < S+ 0 0 160 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.877 91.4 29.5 -59.0 -39.6 47.3 25.7 -63.2 285 288 A D T 3 S+ 0 0 103 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.052 88.6 151.0-109.0 26.3 45.2 28.6 -62.1 286 289 A V < + 0 0 42 -3,-1.4 2,-0.2 -184,-0.1 -186,-0.1 -0.274 15.1 168.2 -62.9 144.2 48.0 31.0 -61.0 287 290 A T - 0 0 81 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.795 38.8-108.3-141.4-179.2 47.4 34.7 -61.3 288 291 A K - 0 0 131 -2,-0.2 -188,-0.1 -185,-0.1 -151,-0.1 -0.753 36.9-175.4-124.4 84.3 49.0 37.9 -60.1 289 292 A P - 0 0 34 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.332 26.9-118.9 -73.3 158.2 47.0 39.6 -57.3 290 293 A V - 0 0 114 -2,-0.1 -155,-0.1 -154,-0.0 2,-0.1 -0.869 28.6-136.2 -99.4 127.2 47.9 43.0 -55.9 291 294 A P - 0 0 11 0, 0.0 2,-0.9 0, 0.0 -155,-0.1 -0.411 14.5-118.2 -79.8 163.2 48.7 42.9 -52.2 292 295 A H + 0 0 146 -2,-0.1 2,-0.4 2,-0.0 -158,-0.0 -0.882 41.2 179.2-100.9 103.3 47.4 45.5 -49.8 293 296 A L - 0 0 11 -2,-0.9 2,-0.7 -159,-0.1 -206,-0.0 -0.908 21.4-156.7-110.0 136.8 50.6 47.1 -48.4 294 297 A R 0 0 186 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.949 360.0 360.0-110.9 108.8 50.6 49.9 -45.9 295 298 A L 0 0 136 -2,-0.7 -1,-0.2 -213,-0.0 0, 0.0 0.784 360.0 360.0-100.3 360.0 54.0 51.7 -46.2