==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-SEP-05 2B53 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.MUCKELBAUER . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 63.3 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 . 42 14.3 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 . 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.6 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 2 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 0 2 2 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 81 0, 0.0 3,-0.7 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 151.3 77.1 76.9 41.2 2 2 A E T 3 + 0 0 156 1,-0.2 22,-0.0 3,-0.1 3,-0.0 0.674 360.0 62.6 -86.9 -20.6 76.2 80.6 41.6 3 3 A N T 3 S+ 0 0 45 1,-0.1 21,-3.8 20,-0.1 22,-0.5 0.301 93.0 83.1 -87.0 16.0 73.4 80.5 44.2 4 4 A F E < -A 23 0A 21 -3,-0.7 2,-0.7 19,-0.2 19,-0.2 -0.878 63.5-154.5-128.2 100.4 75.9 79.0 46.8 5 5 A Q E -A 22 0A 86 17,-2.0 17,-2.5 -2,-0.5 2,-0.7 -0.579 26.9-135.3 -61.9 114.6 78.3 80.8 49.0 6 6 A K E +A 21 0A 103 -2,-0.7 15,-0.3 15,-0.2 3,-0.1 -0.695 31.3 173.6 -78.7 118.1 80.9 78.2 49.7 7 7 A V E - 0 0 49 13,-2.1 2,-0.3 -2,-0.7 14,-0.2 0.926 53.9 -10.1 -88.5 -57.5 81.6 78.5 53.4 8 8 A E E -A 20 0A 103 12,-1.7 12,-3.6 0, 0.0 2,-0.4 -0.999 58.8-117.9-149.4 142.5 84.0 75.7 54.5 9 9 A K E +A 19 0A 97 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.683 31.2 176.0 -76.3 137.4 85.5 72.5 53.1 10 10 A I E - 0 0 65 8,-3.0 2,-0.2 -2,-0.4 9,-0.2 0.224 48.3 -31.6-131.3 17.1 84.3 69.7 55.2 11 11 A G E -A 18 0A 26 7,-0.8 7,-2.0 2,-0.0 2,-0.5 -0.799 45.7 -93.4 157.3 168.4 85.7 66.7 53.5 12 12 A E E -A 17 0A 83 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 -0.965 39.7-167.3-108.4 116.7 87.0 64.3 50.8 13 13 A G - 0 0 13 3,-2.5 143,-0.3 -2,-0.5 142,-0.2 -0.168 37.7-105.7 -88.1-168.8 84.3 62.0 49.5 14 14 A T S S+ 0 0 13 140,-0.1 141,-1.0 141,-0.1 3,-0.1 0.731 123.3 28.8 -83.4 -28.2 84.9 58.9 47.4 15 15 A Y S S- 0 0 17 1,-0.3 21,-1.3 139,-0.2 2,-0.3 0.686 131.6 -29.9-100.8 -32.0 83.5 60.9 44.4 16 16 A G E S- B 0 35A 2 19,-0.2 -3,-2.5 140,-0.0 -1,-0.3 -0.983 71.3 -66.3-169.2 171.0 84.4 64.6 45.3 17 17 A V E -AB 12 34A 25 17,-0.5 17,-2.8 -2,-0.3 2,-0.4 -0.457 41.0-141.8 -68.4 157.8 84.9 67.3 47.9 18 18 A V E -AB 11 33A 28 -7,-2.0 -8,-3.0 15,-0.2 -7,-0.8 -0.983 16.4-168.1-117.9 123.8 82.1 68.3 50.1 19 19 A Y E -AB 9 32A 51 13,-2.6 13,-4.4 -2,-0.4 2,-0.4 -0.903 24.0-127.6-106.1 146.3 81.7 71.9 51.1 20 20 A K E +AB 8 31A 40 -12,-3.6 -13,-2.1 -2,-0.4 -12,-1.7 -0.788 45.9 173.4 -75.2 134.8 79.5 73.5 53.6 21 21 A A E -AB 6 30A 0 9,-2.2 9,-1.9 -2,-0.4 2,-0.5 -0.930 33.5-125.4-141.0 160.7 77.6 76.2 51.7 22 22 A R E -AB 5 29A 102 -17,-2.5 -17,-2.0 -2,-0.3 2,-0.8 -0.969 22.7-133.6-108.6 129.6 74.9 78.8 52.1 23 23 A N E > -A 4 0A 24 5,-3.8 4,-3.0 -2,-0.5 5,-0.3 -0.689 14.3-159.5 -71.4 109.7 72.1 78.8 49.6 24 24 A K T 4 S+ 0 0 124 -21,-3.8 -1,-0.1 -2,-0.8 -20,-0.1 0.592 87.0 55.0 -78.9 -4.2 71.8 82.4 48.7 25 25 A L T 4 S+ 0 0 132 -22,-0.5 -1,-0.2 3,-0.1 -21,-0.1 0.914 125.7 17.7 -71.5 -57.8 68.2 82.0 47.4 26 26 A T T 4 S- 0 0 95 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.596 95.2-124.3-100.0 -15.7 66.8 80.4 50.6 27 27 A G < + 0 0 59 -4,-3.0 2,-0.2 1,-0.3 -3,-0.1 0.511 62.6 142.6 79.1 2.9 69.3 81.3 53.2 28 28 A E - 0 0 110 -5,-0.3 -5,-3.8 -6,-0.1 -1,-0.3 -0.510 51.6-125.3 -81.3 153.4 69.8 77.7 54.1 29 29 A V E +B 22 0A 30 -7,-0.2 49,-0.5 -2,-0.2 2,-0.3 -0.683 39.9 170.7 -86.6 146.1 73.0 75.9 55.1 30 30 A V E -BC 21 77A 1 -9,-1.9 -9,-2.2 -2,-0.3 2,-0.6 -0.931 39.0-114.7-159.6 154.1 73.8 72.9 53.0 31 31 A A E -BC 20 76A 13 45,-3.2 45,-3.1 -2,-0.3 2,-0.8 -0.962 32.6-159.2-108.7 125.1 76.4 70.2 52.2 32 32 A L E -BC 19 75A 2 -13,-4.4 -13,-2.6 -2,-0.6 2,-0.4 -0.880 4.3-164.5-111.2 110.9 77.5 70.6 48.7 33 33 A K E -BC 18 74A 4 41,-3.3 41,-3.1 -2,-0.8 2,-0.6 -0.800 3.6-159.2 -93.4 134.6 79.1 67.6 47.0 34 34 A K E -BC 17 73A 43 -17,-2.8 -17,-0.5 -2,-0.4 2,-0.4 -0.919 15.4-164.0-121.7 107.4 81.0 68.2 43.8 35 35 A I E -BC 16 72A 0 37,-2.4 37,-2.3 -2,-0.6 -19,-0.2 -0.752 31.3 -58.1-107.2 130.8 81.4 65.1 41.7 36 36 A R - 0 0 116 -21,-1.3 2,-0.2 -2,-0.4 3,-0.1 0.022 50.5-124.7 52.5-142.0 83.7 64.2 38.8 37 41 A T + 0 0 81 1,-0.1 3,-0.2 34,-0.1 34,-0.1 -0.723 59.2 56.7-176.2-149.2 83.9 66.1 35.5 38 42 A E S S- 0 0 170 1,-0.2 -1,-0.1 -2,-0.2 33,-0.0 -0.182 106.1 -9.5 -59.2 142.7 83.5 65.0 31.8 39 43 A G - 0 0 47 1,-0.1 -1,-0.2 -3,-0.1 32,-0.1 0.242 64.4-154.9-124.3 116.8 81.2 63.8 30.7 40 44 A V - 0 0 12 -3,-0.2 -1,-0.1 30,-0.1 -2,-0.1 -0.211 29.9-116.7 -82.4 134.5 78.8 62.7 33.2 41 45 A P >> - 0 0 56 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.294 6.9-127.5 -73.0 137.1 76.6 59.8 32.0 42 46 A S H 3> S+ 0 0 79 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.734 109.3 51.9 -25.7 -61.1 72.8 59.8 31.4 43 47 A T H 3> S+ 0 0 88 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.836 105.8 53.4 -56.1 -42.0 72.3 56.7 33.5 44 48 A A H <> S+ 0 0 4 -3,-1.0 4,-3.2 2,-0.2 -2,-0.2 0.979 114.7 44.2 -54.4 -53.1 74.2 58.1 36.5 45 49 A I H X S+ 0 0 35 -4,-1.7 4,-3.3 2,-0.2 -2,-0.2 0.895 112.3 48.9 -53.4 -55.7 71.9 61.2 36.3 46 50 A R H X S+ 0 0 138 -4,-3.3 4,-1.1 1,-0.2 -1,-0.2 0.946 116.1 45.1 -55.1 -49.4 68.7 59.3 35.8 47 51 A E H >X S+ 0 0 98 -4,-2.5 4,-1.0 1,-0.2 3,-0.7 0.943 116.1 44.8 -56.5 -49.7 69.6 57.1 38.7 48 52 A I H >< S+ 0 0 1 -4,-3.2 3,-0.5 -5,-0.3 4,-0.5 0.883 106.1 61.3 -70.5 -32.3 70.7 59.9 41.0 49 53 A S H >< S+ 0 0 42 -4,-3.3 3,-1.2 1,-0.2 -1,-0.3 0.832 101.5 52.9 -56.7 -31.7 67.7 62.1 40.1 50 54 A L H X< S+ 0 0 96 -4,-1.1 3,-1.8 -3,-0.7 -1,-0.2 0.703 87.7 75.9 -95.2 -11.7 65.3 59.7 41.5 51 55 A L G X< S+ 0 0 24 -4,-1.0 3,-1.5 -3,-0.5 11,-0.3 0.697 78.7 80.5 -42.8 -31.0 67.1 59.4 44.8 52 56 A K G < S+ 0 0 64 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.705 94.3 46.2 -56.1 -16.1 65.4 62.8 45.3 53 57 A E G < S+ 0 0 161 -3,-1.8 2,-1.5 1,-0.1 -1,-0.2 0.452 83.7 95.1-111.5 4.7 62.3 60.8 46.1 54 58 A L < + 0 0 21 -3,-1.5 2,-0.4 -4,-0.1 8,-0.2 -0.603 60.9 168.3 -83.2 77.7 63.8 58.3 48.4 55 59 A N + 0 0 63 -2,-1.5 5,-0.1 6,-0.1 -3,-0.0 -0.802 9.5 141.4-106.4 138.2 63.0 60.2 51.6 56 60 A H > - 0 0 49 -2,-0.4 3,-1.9 3,-0.4 54,-0.0 -0.953 56.9-108.7-160.4 149.9 63.1 59.0 55.3 57 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.727 119.0 46.2 -50.9 -27.1 64.2 60.5 58.7 58 62 A N T 3 S+ 0 0 11 48,-0.1 81,-2.6 80,-0.1 2,-0.4 0.217 96.5 77.0-110.2 15.5 67.3 58.4 58.7 59 63 A I B < S-e 139 0B 11 -3,-1.9 -3,-0.4 79,-0.3 2,-0.2 -0.961 92.5-112.3-109.2 136.0 68.6 58.9 55.1 60 64 A V - 0 0 10 79,-2.2 2,-0.3 -2,-0.4 82,-0.1 -0.529 42.5-104.6 -75.6 139.5 70.2 62.3 54.8 61 65 A K - 0 0 95 -2,-0.2 16,-2.4 -4,-0.1 2,-1.0 -0.400 19.8-144.7 -70.2 126.6 68.0 64.4 52.5 62 66 A L E -D 76 0A 12 -11,-0.3 14,-0.2 -2,-0.3 3,-0.1 -0.750 19.6-177.0 -80.5 97.5 69.1 64.9 48.9 63 67 A L E - 0 0 65 12,-1.3 2,-0.3 -2,-1.0 13,-0.2 0.896 58.1 -19.5 -70.7 -43.0 67.9 68.6 48.3 64 68 A D E -D 75 0A 73 11,-1.9 11,-3.3 2,-0.0 2,-0.5 -0.987 47.5-136.8-163.1 161.4 68.8 68.9 44.6 65 69 A V E -D 74 0A 19 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.964 21.4-170.2-112.8 129.0 71.0 67.6 41.8 66 70 A I E -D 73 0A 29 7,-3.1 7,-3.2 -2,-0.5 2,-0.7 -0.962 5.5-168.1-121.0 121.3 72.7 70.1 39.5 67 71 A H E +D 72 0A 73 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.885 16.2 174.4-107.2 116.9 74.3 69.0 36.4 68 72 A T E > -D 71 0A 48 3,-2.4 3,-1.3 -2,-0.7 -2,-0.0 -0.761 50.2 -57.1-139.1 96.5 76.5 71.7 34.9 69 73 A E T 3 S- 0 0 172 1,-0.4 3,-0.1 -2,-0.4 -31,-0.1 0.468 123.1 -18.5 45.3 49.7 78.7 71.7 32.0 70 74 A N T 3 S+ 0 0 49 1,-0.1 -1,-0.4 -33,-0.1 2,-0.3 -0.360 118.0 62.1-152.5 68.5 80.3 69.5 33.1 71 75 A K E < - D 0 68A 75 -3,-1.3 -3,-2.4 -32,-0.1 2,-0.4 -0.818 63.6-121.0-121.6 169.7 80.4 68.5 36.7 72 76 A L E -CD 35 67A 1 -37,-2.3 -37,-2.4 -2,-0.3 2,-0.5 -0.935 21.4-162.0-108.0 136.7 77.6 67.1 39.0 73 77 A Y E -CD 34 66A 30 -7,-3.2 -7,-3.1 -2,-0.4 2,-0.5 -0.974 3.3-168.9-115.3 130.5 76.6 69.0 42.1 74 78 A L E -CD 33 65A 0 -41,-3.1 -41,-3.3 -2,-0.5 2,-0.6 -0.954 6.4-159.8-111.4 126.5 74.7 67.2 44.8 75 79 A V E +CD 32 64A 5 -11,-3.3 -11,-1.9 -2,-0.5 -12,-1.3 -0.912 15.8 177.2-114.3 130.5 73.3 69.4 47.5 76 80 A F E -CD 31 62A 25 -45,-3.1 -45,-3.2 -2,-0.6 -14,-0.2 -0.755 37.4 -88.9-118.9 155.7 72.3 67.7 50.8 77 81 A E E -C 30 0A 49 -16,-2.4 2,-0.5 -2,-0.3 -47,-0.2 -0.331 53.0-108.6 -55.3 155.2 71.0 68.8 54.1 78 82 A F - 0 0 41 -49,-0.5 2,-0.4 -48,-0.1 -1,-0.1 -0.802 33.8-177.6 -96.8 126.1 73.8 69.6 56.5 79 83 A L - 0 0 16 -2,-0.5 53,-0.2 53,-0.1 3,-0.0 -0.924 26.2-133.4-114.7 143.1 74.7 67.4 59.6 80 84 A H S S- 0 0 98 -2,-0.4 2,-0.3 51,-0.3 52,-0.1 0.693 72.5 -1.2 -77.4 -15.4 77.5 68.5 62.0 81 85 A Q E -F 131 0B 50 50,-1.2 50,-3.4 4,-0.0 2,-0.2 -0.994 60.4-119.7-163.5 164.6 79.6 65.3 62.4 82 86 A D E > -F 130 0B 25 -2,-0.3 4,-1.9 48,-0.3 48,-0.2 -0.615 32.0-108.4-108.3 171.8 80.1 61.7 61.5 83 87 A L H > S+ 0 0 0 46,-2.5 4,-2.5 43,-1.4 44,-0.2 0.792 111.8 61.2 -70.4 -27.8 80.3 58.5 63.4 84 88 A K H > S+ 0 0 31 42,-0.7 4,-2.7 45,-0.3 -1,-0.2 0.966 108.5 42.7 -67.5 -45.0 84.0 57.9 63.0 85 89 A K H > S+ 0 0 104 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.877 112.5 53.0 -63.2 -39.6 84.8 61.2 64.8 86 90 A F H X S+ 0 0 19 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.899 110.1 48.9 -62.1 -37.6 82.3 60.7 67.5 87 91 A M H < S+ 0 0 22 -4,-2.5 -2,-0.2 2,-0.2 7,-0.2 0.925 110.3 51.2 -63.7 -45.6 83.8 57.2 68.2 88 92 A D H >< S+ 0 0 99 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.936 111.6 46.8 -59.7 -42.7 87.2 58.7 68.3 89 93 A A H 3< S+ 0 0 81 -4,-2.9 3,-0.5 1,-0.3 -1,-0.2 0.860 110.2 53.4 -60.8 -35.5 86.1 61.3 70.8 90 94 A S T >X S+ 0 0 18 -4,-2.1 4,-4.3 1,-0.2 3,-1.1 0.193 78.7 120.4 -82.0 19.5 84.3 58.7 72.9 91 95 A A T <4 S+ 0 0 45 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.852 72.3 38.1 -60.9 -40.4 87.5 56.7 73.0 92 96 A L T 34 S+ 0 0 168 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.653 128.9 36.4 -82.4 -5.3 88.2 56.5 76.7 93 97 A T T <4 S- 0 0 101 -3,-1.1 -2,-0.2 -4,-0.1 -1,-0.1 0.827 93.6-135.8-107.4 -48.6 84.5 56.1 77.4 94 98 A G < - 0 0 8 -4,-4.3 99,-0.1 -7,-0.2 -3,-0.1 0.207 40.7 -77.7 83.8 140.1 82.9 54.1 74.8 95 99 A I - 0 0 12 97,-0.4 5,-0.1 1,-0.1 100,-0.0 -0.557 63.3 -99.3 -64.1 134.8 79.6 55.4 73.5 96 100 A P > - 0 0 76 0, 0.0 4,-2.2 0, 0.0 3,-0.5 -0.225 27.5-117.2 -53.9 149.5 77.0 54.4 76.2 97 101 A L H > S+ 0 0 70 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.898 111.3 56.9 -62.9 -41.8 75.0 51.3 75.5 98 102 A P H > S+ 0 0 64 0, 0.0 4,-1.4 0, 0.0 188,-0.4 0.834 111.1 44.6 -51.2 -36.1 71.6 53.2 75.3 99 103 A L H > S+ 0 0 9 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.807 109.0 57.9 -83.0 -32.9 73.0 55.4 72.6 100 104 A I H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.975 111.4 40.1 -60.3 -50.3 74.5 52.4 70.8 101 105 A K H X S+ 0 0 13 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.814 111.8 56.9 -76.1 -19.7 71.3 50.7 70.4 102 106 A S H X S+ 0 0 0 -4,-1.4 4,-2.5 -5,-0.3 -1,-0.2 0.956 111.4 43.5 -59.3 -52.1 69.4 53.9 69.6 103 107 A Y H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.867 113.9 50.3 -62.3 -34.6 71.7 54.5 66.7 104 108 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.858 110.8 50.6 -70.6 -34.5 71.6 50.9 65.6 105 109 A F H X S+ 0 0 42 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.908 111.0 47.1 -69.7 -42.2 67.8 51.0 65.7 106 110 A Q H X S+ 0 0 12 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.889 112.7 49.1 -63.8 -42.2 67.6 54.1 63.6 107 111 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.837 109.5 53.5 -65.2 -30.8 70.1 52.8 61.0 108 112 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.826 108.1 48.7 -77.6 -34.3 68.2 49.7 60.9 109 113 A Q H X S+ 0 0 66 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.905 111.9 49.7 -61.9 -42.1 64.9 51.6 60.2 110 114 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.927 112.1 48.0 -66.3 -43.3 66.7 53.6 57.5 111 115 A L H X S+ 0 0 1 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.948 107.7 54.3 -56.9 -52.5 68.0 50.5 55.9 112 116 A A H X S+ 0 0 23 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.907 107.5 52.1 -51.5 -39.6 64.6 48.7 56.0 113 117 A F H X S+ 0 0 47 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.950 112.5 44.6 -59.7 -50.2 63.0 51.6 54.2 114 118 A C H ><>S+ 0 0 0 -4,-2.0 5,-3.3 1,-0.2 3,-0.8 0.888 112.4 51.3 -63.2 -41.2 65.7 51.4 51.4 115 119 A H H ><5S+ 0 0 24 -4,-3.0 3,-1.9 1,-0.2 -1,-0.2 0.848 99.9 62.0 -71.3 -28.7 65.6 47.8 51.1 116 120 A S H 3<5S+ 0 0 67 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.713 109.9 43.4 -61.7 -19.6 61.8 47.7 50.7 117 121 A H T <<5S- 0 0 101 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.222 121.2-113.9-103.3 18.8 62.4 49.7 47.6 118 122 A R T < 5 + 0 0 185 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.851 68.7 139.4 49.0 43.9 65.3 47.5 46.6 119 123 A V < - 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0 0 20 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.363 27.2-142.2 -66.6 145.3 87.5 47.8 64.3 198 202 A L S S+ 0 0 33 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.940 88.5 13.0 -74.3 -44.1 86.3 44.2 64.0 199 203 A F - 0 0 4 -36,-0.3 2,-2.3 2,-0.1 -1,-0.2 -0.627 68.3-179.6-135.2 75.0 88.1 43.2 60.7 200 204 A P + 0 0 41 0, 0.0 2,-0.1 0, 0.0 -37,-0.1 -0.388 18.2 174.5 -83.1 67.0 90.8 45.8 59.8 201 205 A G - 0 0 4 -2,-2.3 -39,-0.4 1,-0.1 -38,-0.2 -0.378 27.1-162.6 -74.1 151.0 92.0 44.2 56.6 202 206 A D S S+ 0 0 134 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.182 76.3 17.6-121.6 19.9 94.5 45.9 54.4 203 207 A S S > S- 0 0 48 1,-0.0 4,-2.6 -41,-0.0 5,-0.2 -0.902 89.9 -96.8-166.4 171.4 94.0 43.9 51.1 204 208 A E H > S+ 0 0 103 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.880 122.3 43.6 -70.3 -31.8 91.2 41.6 50.0 205 209 A I H > S+ 0 0 76 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.889 113.5 50.6 -83.9 -31.3 92.7 38.5 51.0 206 210 A D H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.933 112.6 48.8 -57.2 -45.0 93.9 39.8 54.4 207 211 A Q H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.950 113.5 47.1 -58.6 -47.9 90.4 41.1 54.9 208 212 A L H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.925 111.2 48.6 -64.8 -43.4 89.0 37.8 54.0 209 213 A F H X S+ 0 0 48 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.835 106.1 59.0 -68.2 -28.0 91.4 35.8 56.1 210 214 A R H X S+ 0 0 77 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.886 105.4 49.4 -63.0 -35.5 90.6 38.0 59.1 211 215 A I H X S+ 0 0 0 -4,-2.0 4,-3.4 -5,-0.2 3,-0.4 0.964 110.9 49.8 -64.6 -44.2 87.0 37.1 58.8 212 216 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.856 103.7 58.3 -57.9 -41.0 87.9 33.4 58.6 213 217 A R H < S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 117.9 33.6 -59.8 -35.2 90.1 33.5 61.7 214 218 A T H < S+ 0 0 32 -4,-1.3 28,-2.5 -3,-0.4 -2,-0.2 0.900 130.8 27.8 -88.0 -41.1 87.2 34.7 63.7 215 219 A L H < S- 0 0 6 -4,-3.4 26,-0.3 26,-0.2 -3,-0.2 0.461 113.8-104.0-102.2 4.4 84.1 33.1 62.2 216 220 A G < - 0 0 5 -4,-1.9 24,-0.2 24,-0.5 -1,-0.2 0.185 45.7 -67.9 91.2 149.1 85.8 29.9 60.9 217 221 A T - 0 0 22 22,-2.4 24,-0.1 -4,-0.1 21,-0.0 -0.573 64.7-119.3 -69.5 133.9 86.7 29.1 57.3 218 222 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.384 36.9 179.8 -75.2 151.9 83.3 28.7 55.6 219 223 A D > - 0 0 71 -2,-0.0 4,-2.5 7,-0.0 7,-0.3 -0.764 46.0 -82.5-133.5-175.5 82.3 25.4 54.0 220 224 A E T 4 S+ 0 0 80 -2,-0.2 6,-0.0 1,-0.2 0, 0.0 0.669 121.5 56.3 -66.1 -11.9 79.5 23.8 52.1 221 225 A V T 4 S+ 0 0 108 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.966 116.4 31.4 -84.2 -43.1 77.6 23.0 55.3 222 226 A V T 4 S+ 0 0 64 1,-0.3 44,-0.4 43,-0.0 -2,-0.2 0.853 135.8 27.4 -76.5 -29.1 77.4 26.4 56.8 223 227 A W S >< S- 0 0 5 -4,-2.5 3,-2.4 42,-0.1 -1,-0.3 -0.769 77.6-148.3-134.7 89.2 77.3 28.1 53.4 224 228 A P T 3 S+ 0 0 81 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.370 88.9 20.7 -51.4 114.8 75.8 26.2 50.5 225 229 A G T > S+ 0 0 25 -2,-0.3 3,-2.4 4,-0.0 4,-0.4 0.188 83.0 119.5 110.0 -24.8 77.5 27.3 47.4 226 230 A V G X S+ 0 0 0 -3,-2.4 3,-2.7 -7,-0.3 6,-0.2 0.851 73.6 58.1 -45.1 -55.5 80.7 28.8 48.9 227 231 A T G 3 S+ 0 0 67 1,-0.3 -1,-0.3 -4,-0.2 -7,-0.0 0.512 102.7 54.1 -44.8 -27.0 82.9 26.4 47.0 228 232 A S G < S+ 0 0 101 -3,-2.4 -1,-0.3 3,-0.0 -2,-0.2 0.505 78.8 121.8 -91.8 -5.6 81.6 27.6 43.7 229 233 A M S X S- 0 0 38 -3,-2.7 3,-1.2 -4,-0.4 -57,-0.1 -0.227 72.3-116.3 -63.6 149.3 82.3 31.3 44.2 230 234 A P T 3 S+ 0 0 88 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.880 111.5 33.1 -46.0 -51.2 84.6 32.9 41.6 231 235 A D T 3 S+ 0 0 78 -60,-2.2 2,-0.2 2,-0.1 -59,-0.2 0.192 88.2 121.6 -99.3 14.7 87.5 33.8 44.0 232 236 A Y < - 0 0 38 -3,-1.2 3,-0.0 -61,-0.4 -5,-0.0 -0.569 44.5-162.4 -72.6 143.1 87.1 30.8 46.3 233 237 A K > - 0 0 109 -2,-0.2 3,-2.7 1,-0.1 -2,-0.1 -0.980 24.0-142.6-129.7 118.5 90.3 28.6 46.5 234 238 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.774 102.3 66.4 -36.5 -29.7 90.5 25.0 47.8 235 239 A S T 3 + 0 0 103 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.406 68.5 124.5 -84.6 -1.0 93.8 26.1 49.3 236 240 A F S < S- 0 0 12 -3,-2.7 -19,-0.0 1,-0.1 -4,-0.0 -0.377 71.7-106.8 -53.9 134.3 92.4 28.6 51.8 237 241 A P - 0 0 56 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.262 28.9-126.6 -55.8 148.8 93.6 27.7 55.2 238 242 A K + 0 0 164 -3,-0.1 2,-0.2 -22,-0.1 -25,-0.0 -0.808 31.8 177.1-110.5 103.8 91.0 26.2 57.4 239 243 A W - 0 0 83 -2,-0.8 -22,-2.4 1,-0.1 2,-0.2 -0.562 28.2-117.1 -89.0 156.6 90.6 28.0 60.8 240 244 A A - 0 0 76 -24,-0.2 -24,-0.5 -2,-0.2 2,-0.1 -0.628 35.6 -93.8 -96.0 158.0 88.1 27.1 63.4 241 245 A R - 0 0 120 -26,-0.3 2,-0.3 -2,-0.2 -26,-0.2 -0.419 40.5-126.4 -71.8 141.0 85.3 29.3 64.5 242 246 A Q - 0 0 74 -28,-2.5 2,-0.3 -2,-0.1 -1,-0.1 -0.624 27.8 -97.9 -87.1 147.2 86.0 31.4 67.6 243 247 A D > - 0 0 116 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.485 34.1-138.1 -60.9 125.5 83.8 31.5 70.7 244 248 A F T 3> S+ 0 0 22 1,-0.3 4,-0.8 -2,-0.3 3,-0.4 0.534 91.4 72.4 -79.4 -13.0 81.7 34.6 70.2 245 249 A S T 34 S+ 0 0 51 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.537 98.4 49.2 -82.1 -7.5 81.9 35.8 73.8 246 250 A K T <4 S+ 0 0 144 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.569 101.5 62.0-100.5 0.1 85.4 36.8 73.3 247 251 A V T 4 S+ 0 0 31 -3,-0.4 -2,-0.2 -4,-0.2 -3,-0.1 0.863 119.3 20.2 -83.3 -28.2 84.9 38.7 70.1 248 252 A V S >< S- 0 0 0 -4,-0.8 3,-2.7 3,-0.1 -1,-0.2 -0.269 90.4-159.1-138.0 38.7 82.6 41.4 71.5 249 253 A P T 3 + 0 0 70 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.434 68.4 17.1 -62.1 143.6 82.9 41.6 75.3 250 254 A P T 3 S+ 0 0 124 0, 0.0 -5,-0.0 0, 0.0 -4,-0.0 -0.583 82.8 127.1-110.2 53.5 81.0 42.6 77.3 251 255 A L < - 0 0 15 -3,-2.7 -3,-0.1 1,-0.1 5,-0.0 -0.377 60.7-116.4 -55.8 142.6 77.8 42.7 75.1 252 256 A D > - 0 0 66 1,-0.1 4,-1.7 -3,-0.1 5,-0.2 -0.181 33.8 -90.0 -71.0 178.7 75.0 41.0 76.8 253 257 A E H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.839 125.0 53.7 -63.1 -35.9 73.4 37.9 75.4 254 258 A D H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 27,-0.3 0.928 108.5 52.4 -65.3 -39.5 70.7 39.7 73.3 255 259 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.818 110.5 46.4 -59.1 -35.2 73.5 41.7 71.7 256 260 A R H X S+ 0 0 52 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.825 108.7 54.7 -79.9 -27.2 75.5 38.7 70.7 257 261 A S H X S+ 0 0 44 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.945 113.8 42.4 -61.3 -47.4 72.5 36.8 69.4 258 262 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.940 113.5 51.7 -63.4 -51.0 71.7 39.8 67.1 259 263 A L H >X S+ 0 0 1 -4,-2.1 4,-1.4 1,-0.2 3,-0.6 0.930 110.5 47.1 -56.3 -50.4 75.4 40.3 66.1 260 264 A S H 3< S+ 0 0 27 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.861 109.3 54.1 -66.5 -31.0 76.0 36.8 65.1 261 265 A Q H >< S+ 0 0 60 -4,-1.8 10,-1.6 -5,-0.2 3,-0.7 0.818 108.6 50.0 -66.2 -26.8 72.7 36.7 63.1 262 266 A M H << S+ 0 0 0 -4,-1.8 -2,-0.2 -3,-0.6 -76,-0.2 0.679 112.2 50.0 -77.2 -20.6 74.0 39.8 61.2 263 267 A L T 3< S+ 0 0 2 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.106 75.3 136.5-105.6 19.3 77.3 38.0 60.5 264 268 A H < - 0 0 73 -3,-0.7 6,-0.1 1,-0.1 5,-0.1 -0.429 53.1-136.5 -58.1 141.2 75.9 34.7 59.2 265 269 A Y S S+ 0 0 13 -50,-0.1 -97,-0.2 1,-0.1 -1,-0.1 0.953 86.9 74.4 -63.2 -52.1 78.0 33.6 56.1 266 270 A D S >> S- 0 0 18 -44,-0.4 3,-3.0 1,-0.2 4,-1.2 -0.505 74.9-150.1 -69.1 110.8 75.1 32.5 53.9 267 271 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 -88,-0.1 0.667 95.3 59.7 -61.4 -14.3 73.5 35.8 52.8 268 272 A N T 34 S+ 0 0 149 1,-0.1 -2,-0.1 -91,-0.0 -3,-0.0 0.631 108.5 45.6 -75.7 -14.5 70.1 34.0 52.6 269 273 A K T <4 S+ 0 0 108 -3,-3.0 -1,-0.1 2,-0.1 2,-0.1 0.622 85.8 101.9-106.7 -10.1 70.3 33.2 56.3 270 274 A R S < S- 0 0 15 -4,-1.2 -8,-0.2 -6,-0.1 -9,-0.1 -0.488 81.9 -94.9 -84.9 162.7 71.4 36.3 57.7 271 275 A I - 0 0 23 -10,-1.6 -1,-0.1 -13,-0.2 2,-0.1 -0.149 35.7-125.1 -71.4 148.3 68.8 38.4 59.4 272 276 A S > - 0 0 61 1,-0.1 4,-2.4 -3,-0.1 5,-0.1 -0.404 19.9-114.3 -82.7 170.7 67.0 41.2 57.6 273 277 A A H > S+ 0 0 4 2,-0.2 4,-1.3 1,-0.2 -161,-0.2 0.902 119.2 48.9 -58.6 -42.4 66.7 44.9 58.7 274 278 A K H >> S+ 0 0 159 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.965 114.4 43.5 -66.8 -54.1 63.0 44.4 59.2 275 279 A A H >4 S+ 0 0 44 1,-0.2 3,-1.1 2,-0.2 4,-0.2 0.830 108.6 59.0 -60.0 -33.9 63.4 41.3 61.2 276 280 A A H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.825 95.7 63.6 -63.4 -29.0 66.3 42.8 63.2 277 281 A L H << S+ 0 0 45 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.689 101.0 52.1 -73.7 -17.3 64.0 45.5 64.3 278 282 A A T << S+ 0 0 84 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.420 82.6 122.4 -88.7 -2.3 61.9 43.0 66.1 279 283 A H S X S- 0 0 20 -3,-1.6 3,-2.6 -4,-0.2 4,-0.1 -0.338 73.2-117.7 -68.9 139.7 64.9 41.4 68.0 280 284 A P G > S+ 0 0 78 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.719 106.0 77.8 -43.2 -26.5 64.7 41.3 71.8 281 285 A F G 3 S+ 0 0 2 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.823 93.6 50.9 -53.5 -30.8 67.8 43.5 72.1 282 286 A F G X S+ 0 0 12 -3,-2.6 3,-1.8 1,-0.2 -1,-0.3 0.297 75.2 109.5 -95.0 10.8 65.6 46.5 71.3 283 287 A Q T < S+ 0 0 159 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.875 91.0 29.7 -51.5 -44.7 63.0 45.7 73.9 284 288 A D T 3 S+ 0 0 96 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.019 83.5 162.2-109.0 37.6 64.2 48.7 75.9 285 289 A V < - 0 0 45 -3,-1.8 2,-0.1 -184,-0.1 -186,-0.1 -0.293 15.9-169.9 -64.7 129.6 65.4 51.1 73.2 286 290 A T - 0 0 66 -188,-0.4 -1,-0.1 -2,-0.1 -2,-0.0 -0.430 26.1-119.4-100.5 177.2 65.7 54.7 74.4 287 291 A K - 0 0 111 -2,-0.1 2,-0.2 2,-0.0 -188,-0.1 -0.644 36.6-177.2-123.2 80.2 66.2 57.9 72.6 288 292 A P - 0 0 30 0, 0.0 -154,-0.0 0, 0.0 -2,-0.0 -0.478 17.3-141.4 -59.9 142.5 69.4 59.4 73.8 289 293 A V - 0 0 89 -2,-0.2 2,-0.5 -156,-0.0 -155,-0.1 -0.873 11.1-137.6 -90.2 124.6 70.7 62.7 72.6 290 294 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -155,-0.2 -0.823 15.3-149.4 -76.1 136.7 74.5 63.1 72.2 291 295 A H + 0 0 172 -2,-0.5 2,-0.3 -157,-0.1 -157,-0.1 -0.862 32.6 174.9-104.0 150.3 75.4 66.4 73.5 292 296 A L - 0 0 14 -2,-0.4 2,-0.4 -159,-0.1 -159,-0.0 -0.934 37.1-103.6-160.3 143.6 78.3 67.5 71.5 293 297 A R 0 0 196 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.858 360.0 360.0-101.7 150.2 80.8 70.1 70.6 294 298 A L 0 0 103 -2,-0.4 -1,-0.1 -213,-0.0 -161,-0.0 0.498 360.0 360.0-144.3 360.0 80.2 72.0 67.4