==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAR-08 3COM . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.ATWELL,S.K.BURLEY,M.DICKEY,B.LEON,J.M.SAUDER,NEW YORK SGX . 547 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 35 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 8 0 0 2 2 1 3 2 0 0 0 2 0 0 0 0 2 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 . 4 4 2 1 2 3 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 . 2 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 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 29 A V 0 0 114 0, 0.0 18,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -45.6 51.4 77.9 51.1 2 30 A F E -A 18 0A 36 16,-0.2 2,-0.9 17,-0.1 16,-0.2 -0.991 360.0-156.3-121.3 128.9 51.6 74.4 49.5 3 31 A D E -A 17 0A 71 14,-2.2 14,-1.4 -2,-0.4 2,-0.2 -0.848 20.6-149.7-101.4 96.9 54.9 72.8 48.5 4 32 A V E +A 16 0A 51 -2,-0.9 12,-0.3 12,-0.2 3,-0.1 -0.452 20.8 174.1 -70.4 132.0 53.9 70.3 45.8 5 33 A L E - 0 0 92 10,-3.2 2,-0.1 1,-0.3 -1,-0.1 0.480 46.2 -9.0-103.0-114.0 56.1 67.1 45.5 6 34 A E E - 0 0 61 1,-0.1 9,-2.1 8,-0.0 2,-0.5 -0.456 64.5-107.0 -92.6 159.5 55.4 64.1 43.2 7 35 A K E +A 14 0A 67 7,-0.2 7,-0.2 1,-0.1 -1,-0.1 -0.751 29.2 179.2 -82.6 125.8 52.5 63.1 41.0 8 36 A L 0 0 97 5,-2.1 6,-0.2 -2,-0.5 -1,-0.1 0.577 360.0 360.0 -97.3 -15.7 50.5 60.2 42.5 9 37 A G 0 0 64 4,-1.4 3,-0.1 0, 0.0 -2,-0.0 -0.676 360.0 360.0-177.1 360.0 47.9 60.1 39.7 10 ! 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 11 42 A G 0 0 84 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0-152.4 43.1 66.1 35.7 12 43 A S E - B 0 29A 33 17,-1.1 17,-3.5 -3,-0.1 2,-0.4 -0.845 360.0-122.5-135.1 160.0 45.7 64.8 38.2 13 44 A V E - B 0 28A 45 -2,-0.3 -5,-2.1 15,-0.2 -4,-1.4 -0.808 24.4-169.0-105.9 138.4 46.6 64.2 41.9 14 45 A Y E -AB 7 27A 78 13,-2.2 13,-2.7 -2,-0.4 2,-0.4 -0.931 22.1-129.4-126.3 148.9 49.7 65.5 43.9 15 46 A K E + B 0 26A 61 -9,-2.1 -10,-3.2 -2,-0.3 2,-0.3 -0.756 41.6 166.1 -83.4 140.2 51.4 65.0 47.2 16 47 A A E -AB 4 25A 0 9,-2.2 9,-2.6 -2,-0.4 2,-0.4 -0.977 33.3-124.7-153.0 158.5 52.1 68.2 49.0 17 48 A I E -AB 3 24A 43 -14,-1.4 -14,-2.2 -2,-0.3 2,-1.1 -0.916 20.6-131.4-106.8 138.0 53.1 69.8 52.3 18 49 A H E >> -A 2 0A 54 5,-2.5 4,-3.1 -2,-0.4 3,-3.0 -0.802 21.7-153.4 -80.6 97.1 51.1 72.5 54.1 19 50 A K T 34 S+ 0 0 128 -18,-1.3 -1,-0.1 -2,-1.1 -17,-0.1 0.623 89.9 58.5 -53.1 -18.1 54.0 74.8 54.7 20 51 A E T 34 S+ 0 0 83 -19,-0.4 -1,-0.3 3,-0.1 -18,-0.1 0.585 125.6 13.2 -87.3 -15.0 52.2 76.2 57.8 21 52 A T T <4 S- 0 0 96 -3,-3.0 -2,-0.2 2,-0.2 3,-0.1 0.513 89.4-124.5-130.2 -19.2 51.8 72.9 59.6 22 53 A G < + 0 0 47 -4,-3.1 -3,-0.1 1,-0.3 2,-0.1 0.375 63.1 144.6 78.2 -4.2 54.1 70.3 57.9 23 54 A Q - 0 0 110 -5,-0.5 -5,-2.5 -6,-0.1 -1,-0.3 -0.432 50.8-122.9 -68.1 138.1 51.0 68.1 57.5 24 55 A I E +B 17 0A 66 -7,-0.2 49,-0.6 -2,-0.1 2,-0.3 -0.640 36.0 174.8 -82.1 138.5 50.9 66.1 54.3 25 56 A V E -BC 16 72A 6 -9,-2.6 -9,-2.2 -2,-0.3 2,-0.4 -0.897 29.3-121.5-133.7 166.8 47.9 66.6 51.9 26 57 A A E -BC 15 71A 10 45,-2.8 45,-3.0 -2,-0.3 2,-0.5 -0.925 21.8-161.7-106.8 136.2 46.7 65.5 48.5 27 58 A I E -BC 14 70A 3 -13,-2.7 -13,-2.2 -2,-0.4 2,-0.5 -0.958 3.2-157.7-123.1 113.8 45.9 68.2 45.9 28 59 A K E -BC 13 69A 54 41,-2.5 41,-3.2 -2,-0.5 2,-0.5 -0.787 11.4-152.5 -87.5 123.0 43.8 67.2 42.9 29 60 A Q E +BC 12 68A 12 -17,-3.5 -17,-1.1 -2,-0.5 39,-0.2 -0.882 20.0 170.0 -98.4 124.3 44.3 69.6 40.0 30 61 A V E - C 0 67A 5 37,-2.9 37,-4.0 -2,-0.5 2,-0.1 -0.999 35.6-116.4-131.9 133.6 41.4 70.1 37.5 31 62 A P E > - C 0 66A 52 0, 0.0 3,-0.6 0, 0.0 35,-0.3 -0.441 21.3-133.0 -64.1 135.9 41.2 72.7 34.6 32 63 A V T 3 S+ 0 0 55 33,-2.6 2,-1.5 1,-0.3 4,-0.1 0.877 100.5 67.2 -57.1 -41.6 38.3 75.1 35.2 33 64 A E T 3 S+ 0 0 126 32,-0.5 -1,-0.3 2,-0.1 2,-0.2 -0.176 89.4 88.2 -78.4 46.9 37.1 74.7 31.6 34 65 A S S < S- 0 0 34 -2,-1.5 2,-0.9 -3,-0.6 -4,-0.0 -0.745 95.4 -73.7-127.8 179.5 36.1 71.1 32.1 35 66 A D + 0 0 60 -2,-0.2 3,-0.3 1,-0.1 4,-0.2 -0.723 47.7 173.7 -79.1 110.1 33.0 69.1 33.3 36 67 A L > + 0 0 36 -2,-0.9 4,-3.2 1,-0.2 5,-0.3 0.262 41.2 113.3-102.2 5.4 33.0 69.8 37.1 37 68 A Q H > S+ 0 0 74 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.863 85.4 34.7 -46.2 -50.8 29.6 68.1 37.8 38 69 A E H > S+ 0 0 18 -3,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.810 115.1 55.7 -81.6 -32.6 31.0 65.2 39.9 39 70 A I H > S+ 0 0 23 -4,-0.2 4,-2.3 2,-0.2 5,-0.2 0.955 110.5 47.8 -58.2 -47.0 33.8 67.3 41.4 40 71 A I H X S+ 0 0 110 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.904 114.4 45.2 -59.7 -45.3 31.1 69.7 42.6 41 72 A K H X S+ 0 0 73 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.951 112.0 51.8 -68.4 -46.9 29.0 66.8 44.0 42 73 A E H X S+ 0 0 12 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.898 113.2 44.0 -51.2 -46.3 31.9 65.1 45.6 43 74 A I H X S+ 0 0 23 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.913 109.6 55.3 -75.3 -39.9 33.0 68.2 47.5 44 75 A S H X S+ 0 0 49 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.877 112.6 44.6 -57.8 -34.8 29.5 69.1 48.5 45 76 A I H < S+ 0 0 3 -4,-2.2 3,-0.4 2,-0.2 4,-0.4 0.945 114.2 46.8 -76.2 -46.7 29.2 65.7 50.1 46 77 A M H >< S+ 0 0 3 -4,-2.5 3,-1.1 1,-0.2 11,-0.3 0.829 106.1 59.8 -60.6 -36.5 32.7 65.7 51.8 47 78 A Q H 3< S+ 0 0 127 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.855 105.5 49.7 -61.0 -35.1 32.1 69.2 53.2 48 79 A Q T 3< S+ 0 0 96 -4,-0.9 2,-0.3 -3,-0.4 -1,-0.3 0.539 99.9 85.5 -79.7 -8.1 29.1 67.9 55.0 49 80 A C < + 0 0 16 -3,-1.1 8,-0.2 -4,-0.4 2,-0.2 -0.766 45.6 177.5-100.7 143.6 31.0 65.0 56.5 50 81 A D + 0 0 120 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.663 36.7 123.6-139.1 83.2 33.1 64.9 59.7 51 82 A S > - 0 0 6 3,-0.3 3,-1.5 -2,-0.2 -2,-0.0 -0.999 62.5-135.4-146.8 137.1 34.4 61.4 60.2 52 83 A P T 3 S+ 0 0 82 0, 0.0 53,-0.1 0, 0.0 4,-0.1 0.577 110.9 56.1 -66.4 -6.6 37.7 59.6 60.6 53 84 A H T 3 S+ 0 0 43 51,-0.1 81,-2.8 80,-0.1 2,-0.4 0.321 99.2 69.6-107.2 4.8 36.4 57.0 58.1 54 85 A V B < S-e 134 0B 2 -3,-1.5 -3,-0.3 79,-0.3 81,-0.2 -0.987 92.3-108.3-122.5 130.9 35.6 59.5 55.4 55 86 A V - 0 0 8 79,-2.1 2,-0.3 -2,-0.4 -6,-0.1 -0.264 41.0-127.5 -51.3 131.6 38.3 61.4 53.4 56 87 A K - 0 0 60 -4,-0.1 16,-2.8 -6,-0.1 2,-0.4 -0.634 9.1-143.0 -88.6 145.8 38.4 65.0 54.5 57 88 A Y E -D 71 0A 48 -11,-0.3 14,-0.2 -2,-0.3 3,-0.1 -0.909 16.2-179.8-102.1 133.4 38.1 68.1 52.2 58 89 A Y E - 0 0 106 12,-3.5 2,-0.3 -2,-0.4 13,-0.2 0.694 50.8 -72.9-108.3 -28.9 40.3 71.1 53.3 59 90 A G E -D 70 0A 17 11,-1.3 11,-3.4 2,-0.0 -1,-0.4 -0.895 38.9-100.9 154.7-177.9 39.5 73.7 50.6 60 91 A S E -D 69 0A 48 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.933 21.2-170.4-135.5 152.1 39.9 74.9 47.0 61 92 A Y E -D 68 0A 115 7,-1.9 7,-3.3 -2,-0.3 2,-0.4 -0.989 21.1-130.2-139.2 147.7 42.0 77.4 45.1 62 93 A F E +D 67 0A 166 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.781 30.6 173.4 -83.1 141.9 42.2 78.9 41.6 63 94 A K E > -D 66 0A 26 3,-2.7 3,-2.2 -2,-0.4 -2,-0.0 -0.787 63.5 -33.4-153.4 112.0 45.6 78.8 40.0 64 95 A N T 3 S- 0 0 158 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.906 125.2 -41.9 46.4 58.0 46.4 79.8 36.3 65 96 A T T 3 S+ 0 0 113 1,-0.2 -33,-2.6 -34,-0.1 -32,-0.5 0.433 121.3 108.5 68.2 0.7 43.0 78.5 34.9 66 97 A D E < -CD 31 63A 54 -3,-2.2 -3,-2.7 -35,-0.3 2,-0.5 -0.793 63.7-137.3-103.0 151.5 43.2 75.4 37.1 67 98 A L E -CD 30 62A 27 -37,-4.0 -37,-2.9 -2,-0.3 2,-0.6 -0.938 16.5-157.6-101.2 124.0 41.1 74.4 40.2 68 99 A W E -CD 29 61A 76 -7,-3.3 -7,-1.9 -2,-0.5 2,-0.6 -0.930 4.5-163.1-102.7 117.4 43.2 72.9 43.0 69 100 A I E -CD 28 60A 2 -41,-3.2 -41,-2.5 -2,-0.6 2,-0.5 -0.897 8.1-149.8-105.1 121.6 41.2 70.8 45.5 70 101 A V E +CD 27 59A 2 -11,-3.4 -12,-3.5 -2,-0.6 -11,-1.3 -0.787 27.0 161.8 -99.7 125.0 42.9 70.1 48.8 71 102 A M E -CD 26 57A 20 -45,-3.0 -45,-2.8 -2,-0.5 -14,-0.2 -0.909 44.3 -70.5-139.4 160.9 42.1 66.8 50.6 72 103 A E E -C 25 0A 27 -16,-2.8 2,-0.5 -2,-0.3 -47,-0.2 -0.179 51.4-122.7 -49.3 135.7 43.2 64.4 53.2 73 104 A Y - 0 0 53 -49,-0.6 2,-0.7 -57,-0.0 -1,-0.1 -0.765 22.1-169.2 -92.2 124.1 46.3 62.4 52.2 74 105 A C > - 0 0 16 -2,-0.5 3,-1.4 1,-0.1 52,-0.2 -0.811 3.8-168.6-113.8 92.2 46.1 58.6 52.2 75 106 A G T 3 S+ 0 0 16 -2,-0.7 52,-0.2 1,-0.3 -1,-0.1 0.707 79.4 50.0 -54.5 -35.9 49.6 57.2 51.8 76 107 A A T 3 S- 0 0 10 50,-1.4 -1,-0.3 1,-0.2 51,-0.2 0.699 98.4-144.3 -80.7 -14.6 49.0 53.5 51.1 77 108 A G E < -F 126 0B 17 -3,-1.4 49,-2.4 49,-0.9 -1,-0.2 -0.322 42.0 -23.6 79.7-170.2 46.4 54.3 48.3 78 109 A S E > -F 125 0B 7 47,-0.2 4,-2.2 44,-0.1 47,-0.2 -0.285 57.0-115.8 -73.5 163.4 43.3 52.2 47.5 79 110 A V H > S+ 0 0 1 45,-1.8 4,-1.7 42,-1.1 43,-0.2 0.801 118.4 56.6 -64.3 -29.8 42.8 48.6 48.4 80 111 A S H > S+ 0 0 14 41,-1.1 4,-1.9 44,-0.3 -1,-0.2 0.892 106.4 48.0 -71.4 -42.4 42.6 47.9 44.7 81 112 A D H > S+ 0 0 68 40,-0.2 4,-3.2 2,-0.2 5,-0.2 0.939 110.1 52.9 -58.0 -50.1 46.1 49.5 44.2 82 113 A I H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 6,-0.3 0.859 108.3 50.4 -56.2 -39.6 47.5 47.5 47.1 83 114 A I H X>S+ 0 0 21 -4,-1.7 4,-1.3 2,-0.2 5,-1.0 0.913 114.1 44.3 -66.9 -42.4 46.2 44.2 45.5 84 115 A R H <5S+ 0 0 175 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.923 112.8 51.4 -67.6 -45.1 47.8 45.0 42.1 85 116 A L H <5S+ 0 0 120 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.920 119.7 34.1 -58.2 -49.1 51.1 46.2 43.6 86 117 A R H <5S- 0 0 37 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.682 99.6-136.0 -79.5 -19.4 51.6 43.1 45.7 87 118 A N T <5 + 0 0 147 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.767 69.0 112.4 62.4 28.6 49.9 40.9 43.1 88 119 A K < - 0 0 107 -5,-1.0 -1,-0.2 -6,-0.3 -2,-0.2 -0.988 64.1-132.8-132.7 140.0 48.1 39.2 46.0 89 120 A T - 0 0 63 -2,-0.4 2,-0.2 98,-0.1 98,-0.2 -0.250 42.3 -90.6 -74.0 173.8 44.5 39.1 47.2 90 121 A L - 0 0 4 96,-2.7 2,-0.1 1,-0.1 -1,-0.1 -0.616 30.4-122.2 -94.9 151.5 43.7 39.7 50.9 91 122 A T > - 0 0 73 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.425 33.6-103.1 -78.7 162.5 43.4 37.2 53.7 92 123 A E H > S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.880 122.8 49.0 -51.7 -45.1 40.3 36.9 55.8 93 124 A D H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.890 110.5 49.1 -63.5 -44.2 41.9 38.8 58.7 94 125 A E H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.910 114.8 46.1 -63.5 -41.1 43.0 41.7 56.4 95 126 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.893 109.8 53.0 -67.8 -44.1 39.5 41.9 54.9 96 127 A A H X S+ 0 0 4 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.917 112.3 46.2 -59.0 -42.5 37.8 41.7 58.3 97 128 A T H X S+ 0 0 2 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.936 114.4 46.0 -63.4 -48.1 39.9 44.7 59.5 98 129 A I H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.912 114.3 47.2 -63.6 -42.8 39.4 46.8 56.4 99 130 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.774 102.3 63.7 -74.4 -27.1 35.6 46.2 56.2 100 131 A Q H X S+ 0 0 42 -4,-1.6 4,-1.5 -5,-0.3 -1,-0.2 0.957 109.5 40.6 -57.6 -47.1 35.1 46.9 59.9 101 132 A S H X S+ 0 0 10 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.849 113.3 54.7 -67.5 -35.4 36.3 50.5 59.3 102 133 A T H X S+ 0 0 4 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.930 106.2 51.6 -64.7 -47.6 34.4 50.7 56.0 103 134 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.833 106.4 53.8 -55.3 -38.6 31.2 49.8 57.8 104 135 A K H X S+ 0 0 84 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.888 108.6 50.5 -65.5 -37.7 31.8 52.6 60.4 105 136 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.929 112.5 46.0 -58.3 -46.0 32.1 54.9 57.4 106 137 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.909 109.2 54.3 -66.1 -43.3 28.8 53.6 56.0 107 138 A E H X S+ 0 0 73 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.931 112.0 45.6 -56.9 -45.5 27.0 53.8 59.4 108 139 A Y H X S+ 0 0 56 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.959 115.3 45.1 -61.5 -51.7 28.0 57.4 59.5 109 140 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 -2,-0.2 0.943 113.9 49.7 -59.3 -47.3 27.0 58.3 55.9 110 141 A H H ><5S+ 0 0 31 -4,-3.3 3,-1.2 1,-0.3 -1,-0.2 0.863 108.8 51.0 -64.4 -37.1 23.7 56.4 56.2 111 142 A F H 3<5S+ 0 0 168 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.904 108.9 53.2 -65.3 -35.7 22.8 58.2 59.4 112 143 A M T 3<5S- 0 0 65 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.401 121.5-113.3 -79.1 3.5 23.6 61.4 57.5 113 144 A R T < 5S+ 0 0 106 -3,-1.2 30,-3.2 1,-0.2 2,-0.4 0.719 72.7 133.0 75.1 24.5 21.1 60.2 54.8 114 145 A K E < -H 142 0C 4 -5,-2.4 2,-0.5 28,-0.2 -1,-0.2 -0.879 43.8-157.3-111.1 137.5 23.8 59.8 52.1 115 146 A I E -H 141 0C 0 26,-2.3 26,-2.9 -2,-0.4 57,-0.1 -0.972 6.3-157.2-110.6 122.2 24.2 56.8 49.8 116 147 A H - 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0 0 45 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.192 30.0-116.9 -59.5 155.2 35.7 74.8 10.7 502 252 B D H > S+ 0 0 142 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.786 115.6 54.0 -56.4 -40.1 32.0 75.2 9.8 503 253 B N H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.921 111.0 44.9 -62.1 -46.9 32.1 72.0 7.7 504 254 B F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 113.8 50.0 -62.0 -47.7 33.5 69.9 10.5 505 255 B T H X S+ 0 0 55 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.841 112.3 47.5 -59.5 -41.7 31.0 71.4 13.0 506 256 B D H X S+ 0 0 61 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.836 108.4 55.2 -70.9 -34.8 28.2 70.7 10.6 507 257 B F H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.962 109.4 46.5 -60.3 -52.4 29.4 67.1 10.0 508 258 B V H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 3,-0.2 0.928 110.5 54.1 -54.4 -45.7 29.4 66.4 13.8 509 259 B K H < S+ 0 0 146 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 107.9 49.7 -59.4 -39.9 25.8 68.0 14.0 510 260 B Q H < S+ 0 0 58 -4,-1.9 10,-0.8 -3,-0.2 3,-0.5 0.833 112.2 47.3 -66.8 -37.5 24.5 65.6 11.3 511 261 B C H < S+ 0 0 0 -4,-1.8 2,-1.0 1,-0.2 -2,-0.2 0.876 108.6 57.1 -68.1 -39.2 26.0 62.5 13.0 512 262 B L < + 0 0 2 -4,-2.5 2,-0.6 -5,-0.2 -1,-0.2 -0.305 68.4 141.4 -96.0 51.4 24.6 63.5 16.4 513 263 B V - 0 0 36 -2,-1.0 6,-0.2 -3,-0.5 -55,-0.1 -0.854 45.5-146.0 -91.2 122.2 20.9 63.8 15.5 514 264 B K S S+ 0 0 62 -2,-0.6 -70,-0.2 4,-0.1 -1,-0.1 0.895 82.5 71.8 -56.2 -48.2 18.8 62.4 18.5 515 265 B S >> - 0 0 34 1,-0.2 4,-1.3 -3,-0.1 3,-0.5 -0.635 68.9-159.6 -76.4 116.3 16.0 61.0 16.4 516 266 B P T 34 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -62,-0.1 0.783 90.0 60.4 -65.1 -31.2 17.4 57.9 14.6 517 267 B E T 34 S+ 0 0 147 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.816 111.9 40.3 -63.8 -34.5 14.7 58.0 11.9 518 268 B Q T <4 S+ 0 0 158 -3,-0.5 -1,-0.2 2,-0.0 -4,-0.1 0.718 92.6 112.4 -85.8 -23.3 15.9 61.4 10.9 519 269 B R S < S- 0 0 8 -4,-1.3 -8,-0.1 -6,-0.2 -65,-0.1 -0.186 72.8-105.9 -62.0 138.7 19.7 60.7 11.2 520 270 B A - 0 0 17 -10,-0.8 2,-0.2 1,-0.1 -1,-0.1 -0.205 30.4-128.2 -56.8 148.5 21.9 60.6 8.1 521 271 B T > - 0 0 55 1,-0.1 4,-2.4 -64,-0.0 5,-0.2 -0.523 27.4-104.7 -91.3 165.1 23.1 57.3 6.7 522 272 B A H > S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 -134,-0.1 0.839 121.4 55.7 -58.4 -37.9 26.8 56.5 5.9 523 273 B T H 4 S+ 0 0 74 2,-0.2 4,-0.4 1,-0.2 3,-0.3 0.938 109.7 45.8 -59.5 -50.1 26.1 56.9 2.1 524 274 B Q H >4 S+ 0 0 119 1,-0.2 3,-1.7 2,-0.2 4,-0.2 0.931 110.5 53.9 -60.9 -42.4 24.7 60.4 2.7 525 275 B L H >< S+ 0 0 3 -4,-2.4 3,-1.5 1,-0.3 6,-0.3 0.786 95.8 65.3 -65.6 -27.4 27.6 61.4 5.0 526 276 B L T 3< S+ 0 0 18 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.673 101.7 52.2 -66.0 -15.3 30.2 60.4 2.4 527 277 B Q T < S+ 0 0 130 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.379 82.7 119.1 -99.6 1.3 28.7 63.3 0.3 528 278 B H S X> S- 0 0 16 -3,-1.5 4,-3.2 -4,-0.2 3,-1.4 -0.472 75.2-122.2 -63.8 133.8 29.1 65.8 3.2 529 279 B P H 3> S+ 0 0 41 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.803 111.7 56.8 -47.0 -37.0 31.4 68.7 2.4 530 280 B F H 34 S+ 0 0 12 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.870 120.6 28.4 -61.1 -36.6 33.7 67.8 5.3 531 281 B V H X4 S+ 0 0 0 -3,-1.4 3,-1.8 -6,-0.3 -1,-0.2 0.843 110.1 62.6 -96.2 -39.3 34.2 64.3 4.0 532 282 B R H 3< S+ 0 0 153 -4,-3.2 -2,-0.1 1,-0.3 -1,-0.1 0.815 106.6 46.6 -67.3 -26.4 33.8 64.5 0.2 533 283 B S T 3< S+ 0 0 88 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.1 0.076 82.8 142.8 -97.4 20.1 36.8 66.8 -0.3 534 284 B A < - 0 0 20 -3,-1.8 -3,-0.1 -157,-0.2 -160,-0.1 -0.359 51.1-116.8 -63.6 142.9 39.1 64.7 2.0 535 285 B K - 0 0 116 -161,-0.2 -1,-0.1 1,-0.2 -2,-0.0 -0.284 39.1 -82.5 -74.8 164.0 42.7 64.5 0.9 536 286 B G > - 0 0 48 1,-0.1 3,-1.7 -2,-0.0 4,-0.2 -0.097 44.9 -95.3 -66.4 166.3 44.4 61.2 -0.0 537 287 B V G > S+ 0 0 27 1,-0.3 3,-1.5 2,-0.1 4,-0.2 0.641 111.2 82.4 -59.3 -16.3 45.9 58.7 2.4 538 288 B S G > S+ 0 0 63 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.762 76.7 66.8 -63.6 -31.2 49.3 60.4 1.9 539 289 B I G < S+ 0 0 39 -3,-1.7 4,-0.5 1,-0.2 -1,-0.3 0.608 95.2 60.8 -64.5 -12.6 48.6 63.2 4.4 540 290 B L G <> S+ 0 0 2 -3,-1.5 4,-2.5 -4,-0.2 -1,-0.2 0.582 81.7 86.3 -85.3 -11.6 48.6 60.5 7.1 541 291 B R H <> S+ 0 0 130 -3,-1.6 4,-2.4 2,-0.2 5,-0.2 0.875 87.4 47.5 -62.1 -45.6 52.2 59.5 6.3 542 292 B D H > S+ 0 0 120 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.983 115.2 47.3 -51.1 -60.4 53.9 62.0 8.6 543 293 B L H > S+ 0 0 1 -4,-0.5 4,-2.0 1,-0.2 -2,-0.2 0.818 113.3 47.7 -55.0 -40.7 51.5 61.0 11.4 544 294 B I H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.914 110.8 49.3 -71.9 -42.7 52.1 57.3 10.9 545 295 B N H X S+ 0 0 99 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.868 111.8 50.9 -64.4 -37.7 55.9 57.4 10.7 546 296 B E H X S+ 0 0 79 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.947 110.4 47.7 -62.6 -52.2 55.9 59.5 13.9 547 297 B A H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.896 113.8 47.5 -57.8 -42.4 53.7 57.1 15.9 548 298 B M H < S+ 0 0 89 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.813 105.4 59.2 -74.6 -28.7 55.8 54.1 14.8 549 299 B D H < 0 0 143 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.999 360.0 360.0 -53.4 -72.0 59.0 55.9 15.6 550 300 B V < 0 0 119 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.999 360.0 360.0 -56.1 360.0 57.8 56.2 19.3