==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JAN-10 3LM0 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 17B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.UGOCHUKWU,M.SOUNDARARAJAN,P.RELLOS,O.FEDOROV,C.PHILLIPS,J. . 278 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 1 0.4 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 . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 2 2 1 0 1 1 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 . 1 0 1 0 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 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 18 A E 0 0 124 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.1 -2.0 46.2 -13.4 2 19 A N - 0 0 140 1,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.745 360.0-113.0 -87.7 144.4 -3.0 48.3 -10.4 3 20 A L - 0 0 77 -2,-0.3 4,-0.1 1,-0.1 83,-0.1 -0.448 26.0-172.8 -82.9 145.0 -0.6 48.5 -7.4 4 21 A Y + 0 0 152 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.840 61.7 58.0-103.3 -45.6 -1.4 47.0 -4.0 5 22 A F S S- 0 0 57 1,-0.2 78,-0.2 80,-0.1 79,-0.1 -0.087 102.3 -57.5 -86.8-178.5 1.3 48.0 -1.6 6 23 A Q B -a 83 0A 87 76,-1.3 78,-2.5 1,-0.1 -1,-0.2 -0.321 65.2 -97.2 -65.4 148.6 2.5 51.5 -0.6 7 24 A S > - 0 0 46 76,-0.2 4,-1.5 1,-0.1 78,-0.2 -0.053 19.9-120.8 -63.1 157.1 3.6 53.8 -3.3 8 25 A M H > S+ 0 0 51 76,-0.4 4,-2.2 1,-0.2 5,-0.2 0.811 112.4 64.6 -64.0 -34.0 7.2 54.4 -4.3 9 26 A E H > S+ 0 0 146 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.925 103.4 46.9 -59.8 -40.9 6.7 58.1 -3.5 10 27 A N H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.923 108.9 56.0 -63.2 -40.6 6.2 57.1 0.2 11 28 A F H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.3 3,-0.2 0.886 110.8 43.0 -59.4 -44.0 9.3 54.8 0.0 12 29 A N H < S+ 0 0 80 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.705 112.2 54.8 -79.6 -18.6 11.5 57.6 -1.0 13 30 A N H < S+ 0 0 95 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.798 119.1 31.8 -75.1 -29.3 9.9 59.9 1.5 14 31 A F H < S+ 0 0 86 -4,-1.6 22,-3.0 -3,-0.2 23,-0.6 0.726 120.5 39.3-105.6 -23.8 10.6 57.6 4.4 15 32 A Y E < -B 35 0A 14 -4,-2.2 2,-0.4 20,-0.3 20,-0.2 -0.897 56.1-153.4-130.7 151.7 13.9 55.8 3.5 16 33 A I E -B 34 0A 95 18,-2.4 18,-2.6 -2,-0.3 2,-0.2 -0.992 22.8-133.1-123.6 132.5 17.2 56.6 1.8 17 34 A L E -B 33 0A 64 -2,-0.4 16,-0.3 16,-0.2 2,-0.2 -0.585 20.9-145.6 -79.0 147.7 19.1 53.9 0.1 18 35 A T E - 0 0 28 14,-2.6 14,-0.1 2,-0.2 -1,-0.0 -0.612 26.3-104.8-105.3 174.0 22.8 53.6 0.8 19 36 A S E S+ 0 0 119 -2,-0.2 2,-1.1 12,-0.1 14,-0.1 0.424 89.6 103.8 -78.1 -1.7 25.7 52.6 -1.4 20 37 A K E - 0 0 105 12,-0.2 12,-2.4 2,-0.0 2,-0.6 -0.750 55.2-165.9 -85.7 98.8 25.9 49.1 0.2 21 38 A E E -B 31 0A 79 -2,-1.1 10,-0.3 10,-0.2 3,-0.1 -0.808 2.3-170.3 -77.1 122.9 24.4 46.7 -2.3 22 39 A L E - 0 0 67 8,-2.1 2,-0.3 -2,-0.6 9,-0.2 0.774 58.7 -10.5 -89.9 -35.2 23.9 43.5 -0.2 23 40 A G E -B 30 0A 29 7,-2.2 7,-3.3 2,-0.0 2,-0.3 -0.972 49.4-162.5-162.8 156.4 22.9 41.1 -3.0 24 41 A R E +B 29 0A 172 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.982 16.2 161.5-142.2 128.2 21.9 40.7 -6.7 25 42 A G - 0 0 48 3,-3.3 3,-0.5 -2,-0.3 -2,-0.0 -0.643 58.1 -78.7-126.9-166.8 20.3 37.8 -8.5 26 43 A K S S+ 0 0 94 1,-0.2 3,-0.0 -2,-0.2 0, 0.0 0.863 126.5 13.7 -66.7 -38.7 18.4 37.6 -11.8 27 44 A F S S+ 0 0 61 1,-0.1 21,-2.5 21,-0.0 2,-0.3 0.071 123.7 57.5-125.8 22.2 15.1 39.0 -10.6 28 45 A A E - C 0 47A 29 -3,-0.5 -3,-3.3 19,-0.2 2,-0.4 -0.991 48.8-175.8-155.9 138.3 16.1 40.5 -7.2 29 46 A V E -BC 24 46A 26 17,-1.8 17,-3.0 -2,-0.3 2,-0.5 -1.000 12.6-154.6-134.8 139.5 18.5 43.0 -5.7 30 47 A V E +BC 23 45A 29 -7,-3.3 -7,-2.2 -2,-0.4 -8,-2.1 -0.968 17.0 173.2-116.8 131.2 19.0 43.8 -2.1 31 48 A R E -BC 21 44A 63 13,-2.2 13,-3.3 -2,-0.5 -10,-0.2 -0.964 33.8-110.8-132.6 143.7 20.3 47.1 -0.9 32 49 A Q E - C 0 43A 19 -12,-2.4 -14,-2.6 -2,-0.3 2,-0.3 -0.535 37.8-176.1 -70.1 138.6 20.7 48.6 2.6 33 50 A C E -BC 17 42A 0 9,-2.3 9,-2.9 -16,-0.3 2,-0.4 -0.917 14.7-142.7-130.7 165.2 18.4 51.5 3.4 34 51 A I E -BC 16 41A 47 -18,-2.6 -18,-2.4 -2,-0.3 2,-0.3 -0.985 21.3-118.1-129.5 132.3 18.0 53.9 6.3 35 52 A S E > -B 15 0A 16 5,-1.9 4,-1.5 -2,-0.4 -20,-0.3 -0.590 16.9-147.6 -62.4 130.2 14.8 55.3 7.9 36 53 A K T 4 S+ 0 0 120 -22,-3.0 -1,-0.1 -2,-0.3 -21,-0.1 0.777 96.5 46.7 -71.3 -28.8 15.0 59.1 7.6 37 54 A S T 4 S+ 0 0 98 -23,-0.6 -1,-0.2 1,-0.1 -22,-0.1 0.917 128.6 16.9 -78.6 -46.7 13.0 59.4 10.8 38 55 A T T 4 S- 0 0 106 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.632 87.1-130.6-107.4 -17.2 14.8 56.9 13.2 39 56 A G < + 0 0 47 -4,-1.5 2,-0.2 1,-0.3 -3,-0.1 0.449 56.7 146.1 79.9 1.0 18.2 56.3 11.4 40 57 A Q - 0 0 100 1,-0.1 -5,-1.9 -6,-0.1 -1,-0.3 -0.492 46.7-122.1 -75.5 137.1 17.7 52.5 11.8 41 58 A E E +C 34 0A 80 -2,-0.2 54,-0.6 -7,-0.2 2,-0.3 -0.536 32.5 173.6 -85.4 146.9 19.1 50.3 9.0 42 59 A Y E -CD 33 94A 36 -9,-2.9 -9,-2.3 -2,-0.2 2,-0.5 -0.861 32.6-117.7-136.4 170.0 17.1 47.9 6.9 43 60 A A E -CD 32 93A 11 50,-2.7 50,-3.2 -2,-0.3 2,-0.7 -0.984 24.4-155.3-110.8 119.1 17.6 45.7 3.9 44 61 A A E -CD 31 92A 0 -13,-3.3 -13,-2.2 -2,-0.5 2,-0.6 -0.883 6.8-161.5 -95.3 114.5 15.3 46.6 1.0 45 62 A K E -CD 30 91A 21 46,-2.6 46,-2.8 -2,-0.7 2,-0.6 -0.881 2.8-158.5-101.4 117.9 14.7 43.6 -1.3 46 63 A F E -CD 29 90A 19 -17,-3.0 -17,-1.8 -2,-0.6 2,-0.5 -0.882 11.2-171.4-101.4 114.4 13.5 44.6 -4.7 47 64 A L E -CD 28 89A 3 42,-2.9 42,-2.4 -2,-0.6 2,-0.3 -0.933 20.0-130.1-115.8 124.9 11.7 41.8 -6.5 48 65 A K E - D 0 88A 81 -21,-2.5 40,-0.2 -2,-0.5 39,-0.1 -0.553 7.8-154.6 -72.4 134.2 10.6 42.0 -10.1 49 66 A K S S+ 0 0 5 38,-2.6 7,-4.3 -2,-0.3 2,-0.5 0.801 81.2 61.0 -76.0 -33.1 7.0 41.0 -10.7 50 67 A R E +F 55 0B 89 37,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.892 66.2 167.4-102.5 120.7 7.5 39.9 -14.3 51 68 A R E > -F 54 0B 45 3,-2.7 3,-2.9 -2,-0.5 -24,-0.0 -1.000 64.7 -17.8-135.7 135.6 10.0 37.0 -14.8 52 69 A R T 3 S- 0 0 179 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.790 129.0 -50.1 42.6 40.9 10.7 34.8 -17.9 53 70 A G T 3 S+ 0 0 82 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 -0.085 116.1 120.1 94.8 -30.4 7.4 36.0 -19.4 54 71 A Q E < -F 51 0B 111 -3,-2.9 -3,-2.7 1,-0.1 2,-0.6 -0.534 65.6-134.1 -88.6 123.7 5.5 35.2 -16.2 55 72 A D E +F 50 0B 106 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.2 -0.627 31.0 179.2 -62.6 113.8 3.5 37.6 -14.1 56 73 A C > + 0 0 11 -7,-4.3 4,-1.9 -2,-0.6 3,-0.2 0.179 43.0 110.7-112.3 17.1 4.9 36.6 -10.6 57 74 A R H > S+ 0 0 20 -8,-0.2 4,-2.8 1,-0.2 5,-0.2 0.895 79.0 56.4 -57.2 -42.1 3.1 38.9 -8.2 58 75 A A H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 106.4 49.8 -52.8 -48.2 1.1 36.0 -6.8 59 76 A E H > S+ 0 0 80 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 110.5 49.9 -59.9 -43.1 4.3 34.1 -6.0 60 77 A I H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.904 108.1 53.8 -61.6 -42.1 5.7 37.3 -4.2 61 78 A L H X S+ 0 0 67 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.897 106.5 54.0 -58.7 -40.3 2.3 37.5 -2.2 62 79 A H H X S+ 0 0 82 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.924 108.0 47.4 -58.8 -47.0 3.0 33.9 -1.2 63 80 A E H X S+ 0 0 16 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.917 111.2 51.5 -63.1 -45.3 6.5 34.7 0.2 64 81 A I H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.938 108.3 52.9 -54.0 -47.7 5.1 37.8 2.1 65 82 A A H X S+ 0 0 56 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.878 109.4 48.9 -54.4 -41.2 2.4 35.5 3.6 66 83 A V H X S+ 0 0 7 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.887 110.8 48.8 -71.7 -39.5 5.1 33.1 4.8 67 84 A L H < S+ 0 0 5 -4,-2.3 12,-0.2 2,-0.2 -1,-0.2 0.875 113.3 48.8 -64.5 -38.0 7.2 35.8 6.3 68 85 A E H >< S+ 0 0 82 -4,-2.5 3,-1.6 -5,-0.2 -2,-0.2 0.895 106.8 54.5 -67.7 -42.5 4.1 37.1 8.1 69 86 A L H 3< S+ 0 0 77 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.881 112.5 45.0 -58.8 -35.1 3.1 33.7 9.3 70 87 A A T >< S+ 0 0 0 -4,-1.6 3,-1.9 1,-0.2 -1,-0.3 0.228 77.1 117.3 -94.6 16.5 6.7 33.4 10.9 71 88 A K T < S+ 0 0 126 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.804 72.7 53.6 -54.4 -36.2 6.7 37.0 12.4 72 89 A S T 3 S+ 0 0 90 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.490 86.2 93.6 -81.7 -6.1 6.9 35.7 16.0 73 90 A C X - 0 0 7 -3,-1.9 3,-1.5 1,-0.1 55,-0.0 -0.785 60.6-159.0 -88.4 117.2 9.9 33.5 15.4 74 91 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.687 89.5 65.9 -72.6 -10.2 13.1 35.4 16.3 75 92 A R T 3 S+ 0 0 44 84,-0.1 85,-3.1 52,-0.1 2,-0.4 0.482 92.3 72.5 -78.9 -10.4 15.1 33.0 14.1 76 93 A V B < S-g 160 0C 1 -3,-1.5 85,-0.2 83,-0.3 83,-0.0 -0.901 96.6-100.9-110.4 138.3 13.4 34.2 10.9 77 94 A I - 0 0 6 83,-2.3 2,-0.3 -2,-0.4 -4,-0.1 -0.285 41.8-120.3 -57.3 133.7 14.1 37.5 9.3 78 95 A N - 0 0 48 -4,-0.1 16,-2.5 -6,-0.0 2,-0.6 -0.657 11.4-142.3 -79.5 139.8 11.4 40.1 10.2 79 96 A L E + E 0 93A 28 -2,-0.3 14,-0.2 -12,-0.2 3,-0.1 -0.929 23.4 173.4 -99.5 117.0 9.3 41.9 7.5 80 97 A H E - 0 0 97 12,-2.9 2,-0.3 -2,-0.6 13,-0.2 0.791 58.3 -11.3 -93.6 -40.1 8.8 45.5 8.5 81 98 A E E - E 0 92A 72 11,-1.3 11,-2.7 2,-0.0 2,-0.4 -0.984 52.8-141.3-157.5 163.7 7.0 47.1 5.5 82 99 A V E + E 0 91A 20 -2,-0.3 -76,-1.3 9,-0.2 2,-0.3 -0.996 16.1 176.4-139.2 137.1 6.1 46.6 1.8 83 100 A Y E -aE 6 90A 0 7,-2.3 7,-3.3 -2,-0.4 2,-0.3 -0.847 9.2-159.8-128.5 167.1 6.1 49.0 -1.1 84 101 A E E + E 0 89A 0 -78,-2.5 -76,-0.4 -2,-0.3 2,-0.2 -0.994 10.8 174.8-152.7 142.4 5.3 48.5 -4.8 85 102 A N - 0 0 24 3,-2.4 -80,-0.1 -2,-0.3 -78,-0.0 -0.708 57.5 -70.7-132.7-175.3 6.0 50.3 -8.1 86 103 A T S S+ 0 0 122 -2,-0.2 3,-0.0 1,-0.2 -37,-0.0 0.819 128.5 14.4 -49.6 -43.6 5.3 49.4 -11.8 87 104 A S S S+ 0 0 51 -38,-0.1 -38,-2.6 1,-0.1 -37,-0.5 0.557 120.7 55.6-109.6 -13.9 7.9 46.6 -12.0 88 105 A E E -D 48 0A 32 -40,-0.2 -3,-2.4 -39,-0.1 2,-0.4 -0.913 52.0-154.1-128.7 145.8 8.9 45.8 -8.4 89 106 A I E -DE 47 84A 0 -42,-2.4 -42,-2.9 -2,-0.3 2,-0.5 -0.976 29.3-150.1-109.7 136.5 7.6 44.8 -5.0 90 107 A I E -DE 46 83A 0 -7,-3.3 -7,-2.3 -2,-0.4 2,-0.6 -0.932 6.1-157.0-116.4 121.2 9.9 46.0 -2.4 91 108 A L E -DE 45 82A 0 -46,-2.8 -46,-2.6 -2,-0.5 2,-0.9 -0.859 6.6-152.0 -94.7 122.1 10.4 44.3 1.0 92 109 A I E -DE 44 81A 0 -11,-2.7 -12,-2.9 -2,-0.6 -11,-1.3 -0.809 31.5-178.6 -92.5 106.4 11.7 46.3 3.9 93 110 A L E -DE 43 79A 19 -50,-3.2 -50,-2.7 -2,-0.9 -14,-0.2 -0.718 34.2 -88.5-112.9 149.9 13.4 43.6 6.0 94 111 A E E -D 42 0A 33 -16,-2.5 2,-0.6 -2,-0.3 -52,-0.2 -0.292 48.4-118.2 -43.5 134.4 15.3 43.5 9.3 95 112 A Y - 0 0 38 -54,-0.6 2,-0.7 -18,-0.0 -1,-0.1 -0.769 19.9-160.5 -87.7 121.5 19.0 44.2 8.7 96 113 A A > - 0 0 11 -2,-0.6 3,-1.6 1,-0.1 53,-0.3 -0.873 7.3-173.2 -98.1 97.3 21.4 41.3 9.6 97 114 A A T 3 S+ 0 0 60 -2,-0.7 53,-0.2 53,-0.7 55,-0.2 0.529 74.8 68.3 -74.5 -11.2 24.8 43.1 10.0 98 115 A G T 3 S- 0 0 7 51,-2.3 -1,-0.3 1,-0.2 52,-0.2 0.539 91.6-150.3 -84.2 -9.7 26.8 39.9 10.5 99 116 A G E < -H 149 0C 29 -3,-1.6 50,-1.8 50,-0.6 -1,-0.2 -0.296 43.1 -13.1 67.4-154.3 26.2 38.8 6.9 100 117 A E E > -H 148 0C 71 48,-0.2 3,-1.2 1,-0.1 4,-0.4 -0.490 44.8-136.7 -90.9 147.4 26.1 35.1 5.8 101 118 A I G > S+ 0 0 0 46,-2.6 3,-1.1 43,-0.7 4,-0.4 0.741 103.1 77.1 -70.0 -20.5 27.1 32.0 7.8 102 119 A F G > S+ 0 0 51 42,-1.1 3,-1.7 45,-0.4 4,-0.5 0.855 84.4 62.6 -51.8 -37.0 28.7 31.0 4.5 103 120 A S G X S+ 0 0 53 -3,-1.2 3,-0.8 1,-0.3 6,-0.4 0.838 98.9 54.2 -58.8 -32.8 31.4 33.5 5.4 104 121 A L G < S+ 0 0 13 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.529 100.3 62.4 -77.8 -7.3 32.3 31.4 8.4 105 122 A C G < S+ 0 0 5 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.528 81.1 95.2 -92.7 -9.6 32.6 28.3 6.2 106 123 A L S X S- 0 0 71 -3,-0.8 3,-1.4 -4,-0.5 101,-0.1 -0.702 84.2-123.4 -84.6 132.8 35.6 29.6 4.2 107 124 A P G > S+ 0 0 104 0, 0.0 3,-0.7 0, 0.0 4,-0.1 0.696 106.3 73.5 -46.8 -27.8 39.1 28.6 5.4 108 125 A E G 3 S+ 0 0 100 1,-0.2 2,-0.4 2,-0.1 3,-0.3 0.932 104.5 30.3 -41.4 -61.0 39.8 32.4 5.6 109 126 A L G < S+ 0 0 41 -3,-1.4 -1,-0.2 -6,-0.4 -3,-0.1 -0.359 93.1 101.4-108.9 50.4 37.6 33.1 8.7 110 127 A A < + 0 0 18 -3,-0.7 3,-0.5 -2,-0.4 -1,-0.2 0.456 60.9 66.5-126.5 -6.9 37.9 29.8 10.6 111 128 A E S S+ 0 0 143 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.405 101.5 59.6 -88.3 -1.2 40.4 30.0 13.5 112 129 A M S S+ 0 0 73 1,-0.1 2,-0.4 -8,-0.1 -1,-0.2 -0.021 87.6 82.4-109.4 24.4 37.9 32.5 15.0 113 130 A V - 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0 0 33 -2,-0.3 -10,-0.0 1,-0.1 -33,-0.0 -0.686 23.3-148.4 -75.4 127.9 31.8 21.5 0.6 209 234 A P S S+ 0 0 10 0, 0.0 19,-0.4 0, 0.0 -1,-0.1 0.795 88.1 18.1 -68.2 -25.6 30.5 18.0 1.2 210 235 A F S S+ 0 0 1 -35,-0.1 11,-0.2 17,-0.1 12,-0.2 0.535 83.9 120.0-126.0 -10.6 29.2 17.3 -2.3 211 236 A V - 0 0 70 10,-0.1 2,-0.2 -36,-0.1 4,-0.1 -0.365 38.0-177.4 -66.6 140.8 30.7 19.7 -4.9 212 237 A G - 0 0 22 2,-0.3 6,-0.1 -2,-0.0 -37,-0.1 -0.598 46.4 -82.8-122.1-173.6 32.7 18.1 -7.7 213 238 A E S S+ 0 0 184 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 0.830 114.0 9.2 -59.5 -37.7 34.7 19.3 -10.7 214 239 A D S >> S- 0 0 83 1,-0.1 4,-2.2 0, 0.0 3,-0.5 -0.897 86.3 -99.2-140.6 165.7 31.5 19.6 -12.7 215 240 A N H 3> S+ 0 0 95 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.877 119.4 61.8 -56.0 -38.7 27.8 19.4 -12.1 216 241 A Q H 3> S+ 0 0 141 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.896 108.4 42.3 -54.2 -43.8 27.7 15.8 -13.3 217 242 A E H <> S+ 0 0 90 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.872 111.2 55.2 -74.4 -39.8 30.1 14.8 -10.5 218 243 A T H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.922 108.6 49.1 -50.4 -48.9 28.2 16.9 -8.0 219 244 A Y H X S+ 0 0 85 -4,-2.9 4,-2.7 1,-0.3 -2,-0.2 0.869 111.0 48.5 -67.8 -39.6 25.0 15.1 -8.9 220 245 A L H X S+ 0 0 85 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.3 0.834 108.6 55.5 -64.7 -34.4 26.6 11.7 -8.6 221 246 A N H <>S+ 0 0 15 -4,-2.0 5,-2.5 -11,-0.2 4,-0.5 0.924 113.0 41.4 -66.4 -39.6 28.1 12.7 -5.2 222 247 A I H ><5S+ 0 0 0 -4,-2.1 3,-0.9 3,-0.2 -2,-0.2 0.957 115.7 47.3 -70.0 -51.5 24.6 13.6 -3.9 223 248 A S H 3<5S+ 0 0 52 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.831 120.8 38.2 -65.3 -31.6 22.8 10.6 -5.4 224 249 A Q T 3<5S- 0 0 126 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.518 105.8-130.2 -86.6 -7.4 25.5 8.1 -4.1 225 250 A V T < 5 + 0 0 36 -3,-0.9 2,-1.0 -4,-0.5 -3,-0.2 0.969 39.9 175.7 46.2 58.9 25.8 10.2 -0.8 226 251 A N < + 0 0 97 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.809 6.3 165.6 -94.2 94.9 29.6 10.2 -1.3 227 252 A V - 0 0 16 -2,-1.0 2,-0.7 -3,-0.2 -17,-0.1 -0.952 39.1-119.7-117.6 134.2 30.8 12.4 1.6 228 253 A D + 0 0 68 -2,-0.4 -2,-0.0 -19,-0.4 -18,-0.0 -0.650 39.8 159.9 -73.2 113.6 34.4 12.7 2.8 229 254 A Y + 0 0 72 -2,-0.7 -1,-0.1 4,-0.0 13,-0.0 -0.007 25.9 146.2-119.4 25.4 34.6 11.6 6.4 230 255 A S > - 0 0 52 1,-0.1 4,-2.3 3,-0.0 3,-0.4 -0.144 63.4-111.9 -62.7 156.0 38.4 10.9 6.4 231 256 A E H > S+ 0 0 172 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.837 116.2 61.3 -62.2 -32.0 40.6 11.6 9.4 232 257 A E H 4 S+ 0 0 105 2,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.925 112.9 35.1 -55.8 -47.6 42.3 14.4 7.6 233 258 A T H 4 S+ 0 0 32 -3,-0.4 3,-0.3 1,-0.2 -2,-0.2 0.857 129.2 35.9 -78.1 -31.8 39.0 16.3 7.2 234 259 A F H >< S+ 0 0 17 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.320 79.3 109.4-108.1 8.4 37.6 15.2 10.6 235 260 A S T 3< S+ 0 0 99 -4,-1.6 -1,-0.2 1,-0.3 -3,-0.1 0.764 91.9 35.0 -58.4 -26.5 40.8 15.1 12.8 236 261 A S T 3 S+ 0 0 104 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.170 100.0 94.4-115.9 19.5 39.6 18.2 14.7 237 262 A V S < S- 0 0 19 -3,-2.0 -3,-0.0 -32,-0.0 -32,-0.0 -0.936 76.6-119.2-110.9 133.6 35.9 17.4 14.6 238 263 A S > - 0 0 43 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.255 17.9-119.3 -69.8 157.4 34.3 15.6 17.6 239 264 A Q H > S+ 0 0 119 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.881 113.9 56.4 -61.3 -40.6 32.6 12.2 17.2 240 265 A L H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.890 107.7 47.5 -62.6 -42.9 29.2 13.7 18.4 241 266 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 111.7 51.0 -57.3 -46.4 29.3 16.3 15.7 242 267 A T H X S+ 0 0 13 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.915 109.2 50.8 -57.2 -45.9 30.2 13.6 13.1 243 268 A D H X S+ 0 0 61 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.890 108.2 53.4 -60.4 -42.3 27.2 11.5 14.4 244 269 A F H X S+ 0 0 0 -4,-2.0 4,-1.2 -5,-0.2 3,-0.3 0.972 113.9 41.2 -57.0 -51.3 25.0 14.6 14.0 245 270 A I H >X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-0.7 0.922 112.5 52.8 -63.3 -48.6 26.1 15.0 10.4 246 271 A Q H 3< S+ 0 0 74 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.760 106.1 55.3 -66.5 -22.8 26.0 11.4 9.4 247 272 A S H 3< S+ 0 0 38 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.832 114.5 39.5 -76.5 -29.5 22.4 11.1 10.7 248 273 A L H << S+ 0 0 0 -4,-1.2 2,-1.8 -3,-0.7 -2,-0.2 0.821 103.9 67.5 -86.6 -36.2 21.2 13.9 8.5 249 274 A L S < S+ 0 0 8 -4,-2.6 2,-0.4 -5,-0.1 -1,-0.2 -0.472 72.9 129.1 -87.7 66.4 23.2 13.1 5.3 250 275 A V - 0 0 42 -2,-1.8 6,-0.1 -3,-0.2 5,-0.1 -0.972 61.9-130.8-122.8 140.2 21.4 9.8 4.6 251 276 A K S S+ 0 0 90 -2,-0.4 -71,-0.1 -27,-0.1 -1,-0.1 0.864 91.4 70.8 -57.1 -44.8 19.9 9.0 1.2 252 277 A N S >> S- 0 0 78 1,-0.2 3,-2.4 -73,-0.1 4,-0.5 -0.656 70.0-155.3 -81.6 110.4 16.4 8.0 2.5 253 278 A P G >4 S+ 0 0 30 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.820 91.0 63.3 -57.3 -29.9 14.6 11.0 3.7 254 279 A E G 34 S+ 0 0 97 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.643 98.6 55.8 -64.7 -19.7 12.4 8.9 6.0 255 280 A K G <4 S+ 0 0 147 -3,-2.4 -1,-0.3 -5,-0.1 -4,-0.1 0.511 84.7 98.6 -95.9 -9.2 15.5 7.9 8.0 256 281 A R S << S- 0 0 15 -3,-1.2 -8,-0.1 -4,-0.5 -62,-0.1 -0.611 79.3-116.0 -75.3 137.7 16.6 11.5 8.8 257 282 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.348 29.6-110.1 -69.1 156.7 15.6 12.7 12.2 258 283 A T > - 0 0 66 1,-0.1 4,-2.5 -2,-0.0 5,-0.1 -0.192 30.8-102.4 -73.8 170.9 13.2 15.6 12.6 259 284 A A H > S+ 0 0 2 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.895 124.2 54.4 -58.7 -41.9 14.2 19.1 13.8 260 285 A E H > S+ 0 0 117 2,-0.2 4,-0.6 1,-0.2 3,-0.3 0.967 110.4 43.1 -59.4 -57.1 12.6 18.1 17.2 261 286 A I H >4 S+ 0 0 111 1,-0.2 3,-1.5 2,-0.2 4,-0.2 0.905 112.2 56.2 -54.7 -45.4 14.7 14.9 17.5 262 287 A C H >< S+ 0 0 2 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.850 98.6 59.7 -56.4 -41.3 17.8 16.9 16.3 263 288 A L H 3< S+ 0 0 47 -4,-2.2 -1,-0.3 -3,-0.3 -2,-0.2 0.691 104.2 52.2 -60.3 -19.2 17.4 19.5 19.1 264 289 A S T << S+ 0 0 92 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.418 81.2 129.6 -96.7 -0.3 17.8 16.6 21.7 265 290 A H X - 0 0 44 -3,-1.6 3,-1.6 -4,-0.2 4,-0.4 -0.298 66.2-127.7 -57.2 136.7 21.0 15.4 20.1 266 291 A S G > S+ 0 0 79 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.809 104.8 69.3 -56.1 -31.4 23.8 14.9 22.6 267 292 A W G 3 S+ 0 0 9 -27,-0.3 -1,-0.3 1,-0.3 -26,-0.1 0.849 104.9 42.4 -54.3 -33.3 26.2 17.0 20.5 268 293 A L G < S+ 0 0 6 -3,-1.6 2,-0.7 -6,-0.2 -1,-0.3 0.403 83.8 107.9-100.5 -0.4 24.1 20.1 21.4 269 294 A Q < + 0 0 111 -3,-1.3 2,-0.3 -4,-0.4 -5,-0.0 -0.712 46.9 155.2 -82.6 115.0 23.5 19.4 25.1 270 295 A Q - 0 0 109 -2,-0.7 2,-0.4 -151,-0.0 -2,-0.0 -0.994 39.0-139.4-147.5 134.9 25.7 21.9 26.9 271 296 A W - 0 0 128 -2,-0.3 2,-0.8 2,-0.0 6,-0.0 -0.829 25.2-126.6 -93.6 132.1 25.7 23.6 30.3 272 297 A D > - 0 0 91 -2,-0.4 3,-2.9 1,-0.2 -2,-0.0 -0.696 19.7-144.3 -79.5 109.8 26.6 27.3 30.3 273 298 A F T 3 S+ 0 0 175 -2,-0.8 -1,-0.2 1,-0.3 4,-0.1 0.615 93.9 67.9 -58.4 -17.0 29.4 27.4 32.9 274 299 A E T 3 S+ 0 0 150 2,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.749 90.9 82.7 -69.4 -25.2 28.3 30.8 34.3 275 300 A N S < S- 0 0 87 -3,-2.9 2,-0.6 1,-0.1 -4,-0.0 -0.568 87.4-115.9 -85.3 145.6 25.2 29.0 35.6 276 301 A L - 0 0 75 -2,-0.2 2,-0.2 1,-0.0 -2,-0.1 -0.701 31.4-139.5 -80.2 114.8 24.9 27.1 38.9 277 302 A F - 0 0 135 -2,-0.6 -1,-0.0 -4,-0.1 -6,-0.0 -0.566 8.9-150.2 -79.1 137.7 24.1 23.4 38.0 278 303 A H 0 0 160 -2,-0.2 -1,-0.0 1,-0.1 -2,-0.0 -0.941 360.0 360.0-113.4 112.9 21.6 21.6 40.3 279 304 A P 0 0 164 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.733 360.0 360.0 -74.7 360.0 22.1 17.8 40.7