==== 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 11-MAR-11 3R1Y . 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) . 15125.0 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 . 40 13.6 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 . 21 7.1 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 . 75 25.5 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 1 1 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 . 1 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 91 0, 0.0 3,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 66.6 136.0 -14.4 -49.6 2 2 A E + 0 0 165 1,-0.2 3,-0.0 3,-0.1 22,-0.0 -0.022 360.0 93.7-103.2 26.4 134.2 -11.0 -49.7 3 3 A N S S+ 0 0 95 1,-0.1 21,-1.6 21,-0.1 22,-0.4 0.409 85.1 54.7 -94.5 -1.6 132.6 -12.0 -52.9 4 4 A F E -A 23 0A 32 -3,-0.4 2,-0.6 19,-0.2 19,-0.2 -0.990 67.8-148.0-137.4 143.6 129.6 -13.2 -50.9 5 5 A Q E -A 22 0A 100 17,-1.4 17,-1.3 -2,-0.3 2,-0.2 -0.945 28.0-128.0-111.4 113.9 127.3 -11.8 -48.3 6 6 A K E -A 21 0A 123 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.437 25.0-177.7 -63.0 124.3 126.1 -14.4 -45.8 7 7 A V E - 0 0 70 13,-3.2 2,-0.3 1,-0.4 -1,-0.2 0.788 62.2 -39.9 -91.9 -35.4 122.3 -14.3 -45.5 8 8 A E E -A 20 0A 115 12,-1.0 12,-2.2 3,-0.0 2,-0.9 -0.961 63.3 -83.6-178.7 170.3 121.9 -17.0 -42.8 9 9 A K E -A 19 0A 99 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.819 29.7-172.4 -95.0 106.8 123.2 -20.3 -41.6 10 10 A I E - 0 0 69 8,-1.2 2,-0.3 -2,-0.9 9,-0.2 0.646 59.6 -82.1 -72.0 -13.5 121.4 -23.0 -43.5 11 11 A G E -A 18 0A 26 7,-1.1 7,-2.8 -3,-0.1 2,-0.5 -0.902 44.9 -67.5 144.9-173.2 123.1 -25.5 -41.2 12 12 A E E -A 17 0A 70 -2,-0.3 5,-0.2 5,-0.2 143,-0.1 -0.960 45.9-161.9-123.0 112.0 126.1 -27.5 -40.3 13 13 A G - 0 0 21 3,-2.4 143,-0.4 -2,-0.5 5,-0.0 -0.013 37.7 -92.1 -80.6-171.7 127.1 -30.3 -42.7 14 14 A T S S+ 0 0 35 141,-0.2 142,-0.3 1,-0.1 3,-0.1 0.775 125.6 29.0 -73.7 -27.6 129.3 -33.3 -42.3 15 15 A Y S S- 0 0 19 1,-0.3 21,-0.4 140,-0.1 2,-0.3 0.798 129.6 -34.0-102.0 -37.9 132.3 -31.4 -43.6 16 16 A G S S- 0 0 5 19,-0.2 -3,-2.4 20,-0.1 -1,-0.3 -0.971 75.4 -55.2-168.9-178.9 131.6 -27.8 -42.7 17 17 A V E -A 12 0A 15 -2,-0.3 17,-2.0 -5,-0.2 2,-0.5 -0.402 45.1-144.5 -72.3 148.5 129.1 -25.0 -42.2 18 18 A V E -AB 11 33A 23 -7,-2.8 -8,-1.2 15,-0.2 -7,-1.1 -0.967 16.6-170.3-118.2 130.6 126.7 -24.2 -45.0 19 19 A Y E -AB 9 32A 48 13,-2.9 13,-3.3 -2,-0.5 2,-0.5 -0.881 25.0-130.4-120.9 151.3 125.6 -20.6 -45.7 20 20 A K E +AB 8 31A 40 -12,-2.2 -13,-3.2 -2,-0.3 -12,-1.0 -0.849 45.5 173.1 -92.4 132.5 123.0 -19.0 -47.9 21 21 A A E -AB 6 30A 0 9,-2.8 9,-3.1 -2,-0.5 2,-0.4 -0.984 31.6-134.4-145.6 156.3 124.8 -16.3 -49.8 22 22 A R E -AB 5 29A 103 -17,-1.3 -17,-1.4 -2,-0.3 2,-0.8 -0.931 24.5-125.3-113.5 133.8 124.5 -13.7 -52.6 23 23 A N E > -A 4 0A 33 5,-3.2 4,-3.3 -2,-0.4 -19,-0.2 -0.663 18.0-150.2 -75.7 112.1 127.1 -13.1 -55.2 24 24 A K T 4 S+ 0 0 140 -21,-1.6 -1,-0.2 -2,-0.8 -20,-0.1 0.777 93.6 42.8 -54.3 -29.8 127.8 -9.4 -54.9 25 25 A L T 4 S+ 0 0 162 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.881 126.6 26.3 -86.7 -42.8 128.6 -9.2 -58.6 26 26 A T T 4 S- 0 0 92 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.683 91.9-130.8 -95.3 -20.4 125.9 -11.4 -60.2 27 27 A G < + 0 0 28 -4,-3.3 -3,-0.1 1,-0.3 2,-0.0 0.385 56.0 151.7 83.6 -4.8 123.2 -11.0 -57.6 28 28 A E - 0 0 89 -5,-0.2 -5,-3.2 -6,-0.1 2,-0.5 -0.319 42.3-138.8 -62.8 137.8 122.9 -14.8 -57.7 29 29 A V E +B 22 0A 54 -7,-0.2 50,-0.6 -3,-0.1 2,-0.2 -0.895 36.5 161.0-102.1 124.6 121.7 -16.5 -54.5 30 30 A V E -BC 21 78A 0 -9,-3.1 -9,-2.8 -2,-0.5 2,-0.5 -0.798 43.1-107.3-136.8 174.8 123.6 -19.7 -53.8 31 31 A A E -BC 20 77A 15 46,-2.6 46,-2.7 -2,-0.2 2,-0.5 -0.952 33.5-160.5-109.3 123.6 124.5 -22.2 -51.0 32 32 A L E -BC 19 76A 9 -13,-3.3 -13,-2.9 -2,-0.5 2,-0.5 -0.920 5.4-168.8-111.3 122.0 128.1 -21.9 -49.9 33 33 A K E -BC 18 75A 13 42,-2.6 42,-2.5 -2,-0.5 2,-0.6 -0.939 10.9-151.1-115.2 125.9 129.8 -24.8 -48.1 34 34 A K E - C 0 74A 63 -17,-2.0 2,-0.3 -2,-0.5 40,-0.2 -0.827 19.6-144.6 -93.6 119.7 133.2 -24.5 -46.4 35 35 A I E C 0 73A 16 38,-3.5 38,-0.8 -2,-0.6 -19,-0.2 -0.650 360.0 360.0 -89.6 142.0 135.0 -27.8 -46.4 36 36 A R 0 0 106 -21,-0.4 -1,-0.1 -2,-0.3 5,-0.1 0.609 360.0 360.0 -32.4 360.0 137.2 -29.0 -43.5 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 92 0, 0.0 34,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 159.9 143.2 -29.6 -43.2 39 42 A E + 0 0 183 33,-0.0 33,-0.1 0, 0.0 32,-0.0 0.414 360.0 1.2-144.2 -16.7 146.8 -28.5 -43.6 40 43 A G S S- 0 0 54 31,-0.1 31,-0.1 30,-0.0 32,-0.1 0.403 91.9-119.2-152.9 -11.0 147.5 -28.7 -47.3 41 44 A V - 0 0 17 30,-0.2 5,-0.1 -5,-0.1 30,-0.1 0.893 35.1 -98.2 62.1 106.0 144.3 -29.9 -49.0 42 45 A P > - 0 0 75 0, 0.0 4,-0.9 0, 0.0 3,-0.2 -0.251 20.6-148.8 -54.8 130.1 144.7 -33.2 -50.9 43 46 A S H > S+ 0 0 89 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.754 97.7 64.4 -71.6 -24.2 145.2 -32.8 -54.6 44 47 A T H > S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.910 102.5 47.7 -64.2 -41.9 143.4 -36.1 -55.1 45 48 A A H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.755 105.4 59.4 -71.7 -26.4 140.2 -34.6 -53.8 46 49 A I H X S+ 0 0 34 -4,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.909 108.1 42.9 -70.4 -42.6 140.5 -31.5 -55.9 47 50 A R H X S+ 0 0 165 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.889 114.7 51.0 -70.5 -39.0 140.4 -33.4 -59.2 48 51 A E H X S+ 0 0 46 -4,-1.5 4,-0.9 2,-0.2 3,-0.4 0.963 113.1 44.3 -61.4 -54.1 137.7 -35.7 -58.0 49 52 A I H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.908 109.2 57.4 -58.4 -43.3 135.4 -32.8 -56.9 50 53 A S H >< S+ 0 0 39 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.856 99.2 59.8 -58.0 -35.5 136.2 -30.9 -60.1 51 54 A L H >< S+ 0 0 107 -4,-1.6 3,-1.7 -3,-0.4 -1,-0.3 0.842 94.7 64.5 -62.0 -32.6 134.9 -33.8 -62.2 52 55 A L G X< S+ 0 0 24 -4,-0.9 3,-1.3 -3,-0.9 11,-0.3 0.652 81.1 78.5 -66.9 -15.7 131.5 -33.4 -60.5 53 56 A K G < S+ 0 0 70 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.687 94.6 51.2 -65.4 -15.7 131.0 -30.0 -62.0 54 57 A E G < S+ 0 0 144 -3,-1.7 2,-1.8 -4,-0.2 -1,-0.3 0.524 81.7 98.3 -98.2 -7.4 130.1 -31.9 -65.2 55 58 A L < + 0 0 20 -3,-1.3 2,-0.5 -4,-0.2 8,-0.2 -0.562 54.8 164.3 -83.1 78.8 127.5 -34.1 -63.5 56 59 A N + 0 0 72 -2,-1.8 5,-0.1 6,-0.1 -3,-0.0 -0.859 5.1 142.8-107.9 128.3 124.4 -32.1 -64.5 57 60 A H > - 0 0 41 -2,-0.5 3,-2.0 3,-0.5 5,-0.0 -0.981 56.7-111.0-155.1 148.9 120.8 -33.4 -64.3 58 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.733 118.5 46.4 -56.8 -24.2 117.4 -31.9 -63.3 59 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.5 48,-0.1 2,-0.4 0.136 98.8 82.1-106.8 21.0 117.2 -34.0 -60.1 60 63 A I B < S-e 140 0B 10 -3,-2.0 -3,-0.5 79,-0.3 2,-0.3 -0.994 86.6-115.9-125.0 124.1 120.8 -33.3 -59.0 61 64 A V - 0 0 10 79,-2.3 81,-0.2 -2,-0.4 82,-0.1 -0.425 42.0-115.7 -59.5 120.0 121.7 -30.1 -57.1 62 65 A K - 0 0 81 -2,-0.3 16,-2.2 -4,-0.1 2,-0.8 -0.359 14.7-142.6 -66.8 132.0 124.1 -28.3 -59.4 63 66 A L E -D 77 0A 10 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.856 21.3-178.0 -91.9 109.7 127.7 -27.8 -58.3 64 67 A L E - 0 0 35 12,-2.4 2,-0.3 -2,-0.8 13,-0.2 0.911 56.6 -8.5 -78.0 -45.1 128.5 -24.3 -59.6 65 68 A D E -D 76 0A 91 11,-1.4 11,-2.9 2,-0.0 2,-0.5 -0.997 46.7-143.5-155.9 156.1 132.1 -23.9 -58.6 66 69 A V E -D 75 0A 27 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.984 22.2-166.0-122.8 114.8 135.0 -25.3 -56.5 67 70 A I E -D 74 0A 51 7,-3.0 7,-2.7 -2,-0.5 2,-0.5 -0.910 2.0-168.0-109.9 116.9 137.2 -22.7 -54.8 68 71 A H E +D 73 0A 94 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.885 26.8 133.2-105.0 125.6 140.5 -23.8 -53.4 69 72 A T E > +D 72 0A 35 3,-3.6 3,-2.1 -2,-0.5 -2,-0.0 -0.913 56.3 0.8-173.1 144.7 142.4 -21.4 -51.1 70 73 A E T 3 S- 0 0 128 1,-0.3 3,-0.1 -2,-0.3 -30,-0.0 0.859 125.3 -52.4 43.2 53.1 144.3 -20.9 -47.9 71 74 A N T 3 S+ 0 0 90 1,-0.2 2,-0.4 -31,-0.1 -1,-0.3 0.691 122.8 114.1 61.9 15.2 144.0 -24.5 -46.7 72 75 A K E < - D 0 69A 94 -3,-2.1 -3,-3.6 -32,-0.1 2,-0.4 -0.958 50.6-165.2-125.3 138.5 140.4 -23.9 -47.4 73 76 A L E -CD 35 68A 7 -38,-0.8 -38,-3.5 -2,-0.4 2,-0.4 -0.976 7.0-169.7-121.9 131.6 138.0 -25.4 -49.9 74 77 A Y E -CD 34 67A 20 -7,-2.7 -7,-3.0 -2,-0.4 2,-0.5 -0.968 6.9-157.3-122.6 137.7 134.6 -23.9 -50.7 75 78 A L E -CD 33 66A 0 -42,-2.5 -42,-2.6 -2,-0.4 2,-0.6 -0.953 7.3-153.1-115.1 131.9 131.9 -25.6 -52.8 76 79 A V E +CD 32 65A 7 -11,-2.9 -12,-2.4 -2,-0.5 -11,-1.4 -0.939 20.1 178.2-109.2 122.0 129.2 -23.4 -54.5 77 80 A F E -CD 31 63A 20 -46,-2.7 -46,-2.6 -2,-0.6 -14,-0.2 -0.832 36.6 -95.2-120.5 157.3 125.9 -25.0 -55.1 78 81 A E E -C 30 0A 50 -16,-2.2 2,-0.4 -2,-0.3 -48,-0.2 -0.396 50.1-117.8 -65.8 149.4 122.5 -24.0 -56.6 79 82 A F - 0 0 43 -50,-0.6 2,-0.3 -2,-0.0 -1,-0.1 -0.765 30.1-178.1-100.0 137.0 120.1 -22.9 -53.7 80 83 A L - 0 0 18 -2,-0.4 53,-0.1 53,-0.0 52,-0.0 -0.982 26.5-132.3-129.1 142.4 116.8 -24.6 -52.8 81 84 A H S S+ 0 0 108 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.591 77.0 21.4 -72.3 -17.1 114.5 -23.3 -50.0 82 85 A Q E -F 132 0B 33 50,-1.0 50,-2.7 213,-0.1 2,-0.2 -0.996 59.7-138.6-152.9 155.8 113.6 -26.5 -48.1 83 86 A D E > -F 131 0B 23 -2,-0.3 4,-1.9 48,-0.2 48,-0.2 -0.723 31.2-113.0-110.3 164.5 114.7 -30.1 -47.4 84 87 A L H > S+ 0 0 0 46,-2.5 4,-2.5 43,-1.0 5,-0.2 0.788 112.2 62.1 -67.5 -27.4 112.6 -33.3 -47.1 85 88 A K H > S+ 0 0 40 42,-0.7 4,-1.9 45,-0.2 -1,-0.2 0.949 109.0 41.7 -63.8 -46.1 113.3 -33.7 -43.4 86 89 A K H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.922 113.5 53.0 -66.4 -42.0 111.6 -30.4 -42.7 87 90 A F H X S+ 0 0 11 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.893 108.7 49.9 -60.7 -40.8 108.7 -31.1 -45.2 88 91 A M H >< S+ 0 0 20 -4,-2.5 3,-0.6 2,-0.2 4,-0.3 0.923 110.5 49.4 -65.6 -41.7 108.0 -34.4 -43.5 89 92 A D H >< S+ 0 0 113 -4,-1.9 3,-1.2 1,-0.2 4,-0.3 0.918 111.3 49.9 -61.6 -42.6 107.9 -32.8 -40.1 90 93 A A H 3< S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.649 114.3 45.2 -69.7 -16.1 105.5 -30.2 -41.4 91 94 A S T > - 0 0 79 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.289 24.9-117.9 -59.6 142.7 99.7 -37.5 -50.1 98 101 A L H 3> S+ 0 0 66 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.854 112.2 57.3 -50.8 -41.5 100.4 -40.7 -52.0 99 102 A P H 3> S+ 0 0 69 0, 0.0 4,-1.8 0, 0.0 188,-0.4 0.882 110.4 44.3 -59.8 -35.3 100.6 -39.0 -55.4 100 103 A L H <> S+ 0 0 5 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.862 111.1 53.0 -75.8 -37.2 103.3 -36.6 -54.1 101 104 A I H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.935 112.3 46.5 -60.8 -44.9 105.2 -39.5 -52.4 102 105 A K H X S+ 0 0 15 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.897 111.3 50.7 -66.2 -40.8 105.2 -41.4 -55.7 103 106 A S H X S+ 0 0 4 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.931 112.5 47.1 -62.3 -45.6 106.3 -38.3 -57.7 104 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.923 112.6 48.0 -63.4 -45.9 109.2 -37.7 -55.4 105 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.927 111.6 51.7 -61.4 -42.5 110.3 -41.3 -55.4 106 109 A F H X S+ 0 0 55 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.917 111.6 45.9 -59.6 -46.3 110.1 -41.4 -59.2 107 110 A Q H X S+ 0 0 13 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.893 111.4 51.8 -65.7 -40.6 112.3 -38.2 -59.5 108 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.897 108.7 51.1 -64.6 -39.0 114.9 -39.5 -57.0 109 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.883 107.7 53.3 -66.0 -35.4 115.2 -42.8 -58.9 110 113 A Q H X S+ 0 0 62 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.934 110.3 47.8 -63.3 -43.0 115.8 -40.8 -62.2 111 114 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.897 112.9 47.6 -63.6 -41.1 118.6 -38.9 -60.4 112 115 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.930 109.2 54.0 -66.1 -43.6 120.1 -42.1 -59.1 113 116 A A H X S+ 0 0 26 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.910 109.8 48.6 -56.8 -42.7 119.9 -43.8 -62.5 114 117 A F H X S+ 0 0 48 -4,-2.1 4,-0.9 2,-0.2 3,-0.2 0.969 114.6 42.7 -62.2 -54.7 121.8 -40.8 -64.0 115 118 A C H ><>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 3,-0.9 0.923 114.2 51.2 -59.2 -45.8 124.6 -40.8 -61.5 116 119 A H H ><5S+ 0 0 30 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.819 104.1 57.4 -62.3 -32.5 125.0 -44.6 -61.4 117 120 A S H 3<5S+ 0 0 82 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.744 108.7 48.6 -69.8 -21.1 125.2 -44.7 -65.2 118 121 A H T <<5S- 0 0 79 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.191 121.5-108.5-101.6 14.4 128.2 -42.3 -64.9 119 122 A R T < 5S+ 0 0 197 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.804 75.5 133.5 64.3 33.7 129.9 -44.4 -62.2 120 123 A V < - 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0 0 6 -4,-1.8 24,-0.2 -5,-0.4 -1,-0.2 0.180 44.2 -68.1 90.7 146.1 115.0 -61.5 -40.4 218 221 A T - 0 0 23 22,-2.2 24,-0.1 -4,-0.1 -8,-0.0 -0.551 63.7-117.2 -67.7 125.7 118.7 -62.4 -39.6 219 222 A P + 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.265 37.6 179.5 -66.3 150.7 120.3 -63.0 -43.0 220 223 A D > - 0 0 74 7,-0.0 4,-2.7 8,-0.0 7,-0.2 -0.832 46.7 -85.1-139.8 178.8 121.8 -66.4 -43.8 221 224 A E T 4 S+ 0 0 84 -2,-0.3 6,-0.0 1,-0.2 5,-0.0 0.730 120.6 61.1 -61.2 -24.6 123.6 -68.2 -46.7 222 225 A V T 4 S+ 0 0 125 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.983 118.1 24.4 -66.2 -57.5 120.2 -69.0 -48.3 223 226 A V T 4 S+ 0 0 81 1,-0.2 44,-0.5 -3,-0.1 -2,-0.2 0.749 137.1 30.9 -81.6 -24.1 119.0 -65.4 -48.9 224 227 A W S >< S- 0 0 10 -4,-2.7 3,-2.4 42,-0.1 4,-0.3 -0.678 77.8-153.1-138.3 84.0 122.5 -63.8 -48.9 225 228 A P T 3 S+ 0 0 80 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.317 85.5 19.5 -56.1 128.9 125.3 -66.1 -50.3 226 229 A G T > S+ 0 0 34 41,-0.0 3,-1.9 4,-0.0 4,-0.2 0.216 86.1 119.2 95.1 -15.0 128.6 -65.1 -48.7 227 230 A V G X + 0 0 0 -3,-2.4 3,-1.3 1,-0.3 6,-0.1 0.808 69.1 58.4 -55.7 -34.3 127.1 -63.2 -45.7 228 231 A T G 3 S+ 0 0 60 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.542 103.2 55.3 -76.1 -3.9 128.7 -65.4 -43.1 229 232 A S G < S+ 0 0 104 -3,-1.9 -1,-0.3 5,-0.0 -2,-0.2 0.325 78.9 124.2-105.7 3.8 132.2 -64.5 -44.5 230 233 A M S X S- 0 0 37 -3,-1.3 3,-1.5 -4,-0.2 -57,-0.1 -0.342 74.8-109.4 -65.5 148.4 131.7 -60.8 -44.2 231 234 A P T 3 S+ 0 0 86 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.834 113.8 29.4 -45.4 -48.0 134.4 -58.9 -42.1 232 235 A D T 3 S+ 0 0 78 -60,-2.6 2,-0.2 2,-0.0 -59,-0.2 0.268 88.2 123.5-103.5 13.0 132.2 -58.1 -39.1 233 236 A Y < - 0 0 32 -3,-1.5 -5,-0.0 -61,-0.4 -61,-0.0 -0.553 41.9-164.4 -73.1 136.3 129.8 -61.0 -39.2 234 237 A K > - 0 0 108 -2,-0.2 3,-2.2 1,-0.1 -2,-0.0 -0.983 24.9-140.6-125.2 131.8 129.6 -63.0 -36.0 235 238 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.732 101.6 69.4 -59.4 -18.4 128.1 -66.5 -35.6 236 239 A S T 3 + 0 0 104 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.457 67.4 123.9 -80.8 -0.2 126.8 -65.3 -32.3 237 240 A F S < S- 0 0 14 -3,-2.2 -19,-0.0 1,-0.1 -4,-0.0 -0.350 72.7-107.7 -58.5 136.9 124.3 -62.8 -33.9 238 241 A P - 0 0 56 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.331 29.0-124.9 -64.1 154.2 120.8 -63.6 -32.6 239 242 A K - 0 0 162 -3,-0.1 2,-0.3 -22,-0.0 -25,-0.0 -0.860 32.2-178.1-107.6 103.5 118.5 -65.3 -35.2 240 243 A W - 0 0 80 -2,-0.8 -22,-2.2 -27,-0.0 2,-0.2 -0.744 25.3-120.0 -99.3 146.1 115.3 -63.4 -35.6 241 244 A A - 0 0 75 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.1 -0.514 35.2-101.0 -82.1 152.1 112.5 -64.5 -38.0 242 245 A R - 0 0 127 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.432 33.0-137.1 -72.2 146.4 111.4 -62.2 -40.8 243 246 A Q - 0 0 68 -28,-2.6 2,-0.3 -2,-0.1 -1,-0.1 -0.633 26.7 -97.2 -98.6 162.5 108.2 -60.1 -40.4 244 247 A D >> - 0 0 106 -2,-0.2 3,-2.1 1,-0.1 4,-0.9 -0.620 22.0-132.5 -83.4 136.7 105.5 -59.6 -43.0 245 248 A F H 3> S+ 0 0 21 -2,-0.3 4,-2.0 1,-0.3 3,-0.2 0.773 104.7 69.8 -56.0 -29.2 105.7 -56.4 -45.1 246 249 A S H 34 S+ 0 0 62 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.782 104.3 43.6 -61.0 -23.7 102.0 -55.8 -44.5 247 250 A K H <4 S+ 0 0 142 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.706 110.1 58.0 -92.0 -22.6 103.0 -55.1 -40.9 248 251 A V H < S+ 0 0 26 -4,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.928 121.2 13.7 -77.1 -48.3 106.1 -52.9 -41.9 249 252 A V S >< S- 0 0 0 -4,-2.0 3,-2.3 3,-0.1 -1,-0.2 -0.278 90.5-155.8-127.4 53.4 104.6 -50.1 -44.0 250 253 A P T 3 + 0 0 71 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.419 68.3 18.3 -69.3 147.2 100.8 -50.2 -43.6 251 254 A P T 3 S+ 0 0 126 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 -0.720 86.2 125.3-104.7 41.1 98.6 -49.2 -45.3 252 255 A L < - 0 0 9 -3,-2.3 -3,-0.1 1,-0.1 5,-0.0 -0.281 62.1-112.9 -57.5 139.7 100.7 -49.1 -48.5 253 256 A D > - 0 0 62 1,-0.1 4,-2.4 -3,-0.1 3,-0.3 -0.163 30.3 -97.0 -70.0 168.5 99.2 -51.0 -51.4 254 257 A E H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.777 121.9 57.0 -60.6 -30.5 100.7 -54.2 -52.9 255 258 A D H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.943 112.1 43.3 -64.0 -46.3 102.5 -52.3 -55.8 256 259 A G H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.917 114.5 48.3 -63.8 -46.3 104.2 -50.2 -53.3 257 260 A R H X S+ 0 0 62 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.877 110.5 53.1 -63.1 -38.9 105.1 -53.1 -50.9 258 261 A S H X S+ 0 0 39 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.945 111.9 44.0 -62.6 -46.7 106.4 -55.1 -53.9 259 262 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 3,-0.4 0.949 113.2 51.4 -64.4 -45.8 108.8 -52.3 -55.0 260 263 A L H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 3,-0.3 0.913 106.6 54.3 -58.0 -42.0 109.9 -51.6 -51.4 261 264 A S H < S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 108.0 49.7 -61.6 -34.3 110.7 -55.3 -50.9 262 265 A Q H >< S+ 0 0 66 -4,-1.5 10,-2.2 -3,-0.4 3,-0.6 0.790 109.1 51.7 -74.2 -26.1 113.0 -55.3 -54.0 263 266 A M H 3< S+ 0 0 0 -4,-1.6 -76,-0.2 -3,-0.3 -1,-0.2 0.702 111.9 48.8 -79.8 -19.9 114.8 -52.1 -52.8 264 267 A L T 3< S+ 0 0 3 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.130 74.4 137.8-108.4 20.3 115.4 -53.8 -49.4 265 268 A H < - 0 0 72 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.412 53.0-136.2 -62.6 139.3 116.8 -57.2 -50.6 266 269 A Y S S+ 0 0 16 -50,-0.1 -97,-0.2 -2,-0.1 -1,-0.1 0.946 86.7 76.2 -64.6 -50.2 119.8 -58.2 -48.4 267 270 A D S >> S- 0 0 23 -44,-0.5 3,-1.9 1,-0.2 4,-1.6 -0.514 75.2-148.3 -66.5 114.2 122.0 -59.4 -51.2 268 271 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.821 98.1 57.8 -53.4 -29.6 123.4 -56.2 -52.9 269 272 A N T 34 S+ 0 0 142 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.701 108.8 42.3 -75.5 -20.4 123.4 -58.2 -56.2 270 273 A K T <4 S+ 0 0 145 -3,-1.9 -1,-0.2 2,-0.1 3,-0.1 0.637 88.1 109.7 -98.4 -17.4 119.7 -59.0 -56.0 271 274 A R S < S- 0 0 14 -4,-1.6 -8,-0.2 -6,-0.2 -9,-0.1 -0.299 81.1-102.0 -59.6 137.5 118.6 -55.6 -54.9 272 275 A I - 0 0 23 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.278 32.8-124.9 -63.8 146.9 116.8 -53.8 -57.7 273 276 A S > - 0 0 63 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.480 21.6-113.0 -86.2 165.3 118.6 -51.1 -59.8 274 277 A A H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -161,-0.1 0.930 117.5 51.1 -63.8 -44.0 117.3 -47.5 -60.2 275 278 A K H > S+ 0 0 173 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.912 112.3 45.5 -59.7 -43.6 116.7 -48.1 -63.9 276 279 A A H >4 S+ 0 0 47 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.875 108.6 56.6 -68.3 -37.0 114.7 -51.3 -63.3 277 280 A A H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 6,-0.2 0.856 96.8 63.8 -63.8 -33.6 112.7 -49.6 -60.4 278 281 A L H 3< S+ 0 0 42 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.805 102.6 50.9 -60.2 -27.2 111.6 -46.9 -62.8 279 282 A A T << S+ 0 0 83 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.452 82.4 122.2 -89.6 -2.7 109.7 -49.6 -64.8 280 283 A H S X S- 0 0 19 -3,-1.7 3,-2.2 -4,-0.3 4,-0.1 -0.308 75.3-116.4 -63.4 142.6 107.9 -51.1 -61.7 281 284 A P G > S+ 0 0 83 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.691 107.1 79.0 -52.8 -20.7 104.1 -51.2 -61.9 282 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.835 92.6 51.4 -58.0 -30.7 103.9 -48.8 -58.9 283 286 A F G X S+ 0 0 12 -3,-2.2 3,-1.5 -6,-0.2 -1,-0.3 0.318 75.4 105.1 -91.8 9.9 104.7 -45.9 -61.3 284 287 A Q T < S+ 0 0 161 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.843 91.8 32.7 -58.9 -34.7 102.0 -46.7 -63.9 285 288 A D T 3 S+ 0 0 91 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.049 87.1 148.8-111.7 28.7 99.9 -43.8 -62.7 286 289 A V < + 0 0 43 -3,-1.5 2,-0.2 -184,-0.1 -186,-0.1 -0.253 15.6 168.3 -66.0 147.7 102.6 -41.4 -61.7 287 290 A T - 0 0 85 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.781 38.2-109.0-142.5-176.4 102.0 -37.6 -61.9 288 291 A K - 0 0 132 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.719 37.3-177.1-129.0 82.0 103.7 -34.4 -60.8 289 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.244 26.9-117.9 -71.3 163.2 101.7 -32.6 -58.0 290 293 A V - 0 0 115 -154,-0.0 2,-0.1 -2,-0.0 -155,-0.1 -0.881 26.0-136.4-103.6 132.4 102.7 -29.3 -56.5 291 294 A P - 0 0 11 0, 0.0 2,-0.8 0, 0.0 -155,-0.1 -0.505 17.1-117.2 -84.8 162.1 103.4 -29.3 -52.7 292 295 A H - 0 0 145 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.872 39.7-178.5 -97.9 108.2 102.2 -26.6 -50.4 293 296 A L - 0 0 11 -2,-0.8 2,-0.7 -159,-0.1 -159,-0.0 -0.927 18.9-161.5-111.6 132.2 105.3 -24.9 -49.1 294 297 A R 0 0 190 -2,-0.5 -2,-0.0 0, 0.0 0, 0.0 -0.831 360.0 360.0-112.1 91.7 105.2 -22.1 -46.6 295 298 A L 0 0 138 -2,-0.7 -213,-0.1 -213,-0.0 -2,-0.0 -0.405 360.0 360.0 -82.4 360.0 108.6 -20.4 -46.8