==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-OCT-09 3KE4 . COMPND 2 MOLECULE: HYPOTHETICAL CYTOSOLIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR A.K.PARK,J.H.MOON,Y.M.CHI . 509 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 397 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.6 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 . 26 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 2 4 0 0 5 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 2 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 5 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 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 11 A G 0 0 74 0, 0.0 11,-2.5 0, 0.0 12,-0.3 0.000 360.0 360.0 360.0 4.4 56.6 -65.2 26.2 2 12 A T E -A 11 0A 52 9,-0.3 2,-0.3 10,-0.1 9,-0.3 -0.711 360.0-146.4-116.4 168.7 57.4 -63.0 29.2 3 13 A T E -A 10 0A 32 7,-3.2 7,-2.3 -2,-0.2 2,-0.3 -0.978 22.3-108.9-136.9 148.8 59.6 -60.0 29.7 4 14 A S E +A 9 0A 79 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.570 39.4 170.4 -80.1 137.3 61.6 -58.7 32.7 5 15 A V E > -A 8 0A 14 3,-1.9 2,-1.0 -2,-0.3 3,-1.0 -0.674 50.2 -61.7-129.7-174.6 60.4 -55.6 34.5 6 16 A I B 3 S-b 65 0B 56 58,-1.8 60,-2.5 1,-0.3 63,-0.3 -0.636 122.0 -3.4 -79.6 102.9 61.5 -53.9 37.7 7 17 A G T 3 S+ 0 0 38 -2,-1.0 2,-0.3 1,-0.3 -1,-0.3 0.854 132.7 2.5 87.3 38.9 60.8 -56.4 40.5 8 18 A G E < S-A 5 0A 42 -3,-1.0 -3,-1.9 2,-0.0 2,-0.3 -0.994 76.5 -85.2 154.7-160.3 59.3 -59.2 38.5 9 19 A R E -A 4 0A 151 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.989 30.5-175.2-151.4 140.8 58.2 -60.5 35.1 10 20 A V E -A 3 0A 20 -7,-2.3 -7,-3.2 -2,-0.3 -2,-0.0 -0.929 37.8 -84.7-136.8 160.6 55.1 -60.1 32.9 11 21 A D E > -A 2 0A 68 -2,-0.3 3,-2.1 -9,-0.3 6,-0.3 -0.356 40.5-120.9 -62.3 142.9 53.7 -61.4 29.6 12 22 A K T 3 S+ 0 0 54 -11,-2.5 -1,-0.1 1,-0.3 -10,-0.1 0.683 113.8 48.8 -60.8 -18.1 55.0 -59.4 26.6 13 23 A D T 3 S+ 0 0 32 -12,-0.3 -1,-0.3 455,-0.1 2,-0.1 0.123 81.6 134.2-108.5 20.5 51.4 -58.5 25.7 14 24 A D X> - 0 0 47 -3,-2.1 4,-2.1 1,-0.1 3,-0.8 -0.405 69.5-118.2 -68.2 144.8 50.5 -57.4 29.2 15 25 A I H 3> S+ 0 0 36 1,-0.3 4,-1.8 2,-0.2 113,-0.2 0.777 116.5 60.7 -55.7 -25.2 48.6 -54.1 29.3 16 26 A R H 3> S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.905 105.7 44.6 -68.2 -42.5 51.6 -52.8 31.4 17 27 A V H <> S+ 0 0 10 -3,-0.8 4,-2.4 -6,-0.3 5,-0.2 0.858 110.3 54.9 -70.0 -36.1 54.0 -53.5 28.5 18 28 A E H X S+ 0 0 43 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.896 108.5 52.0 -63.3 -38.0 51.6 -51.9 26.0 19 29 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.963 116.8 33.5 -65.0 -55.6 51.6 -48.8 28.2 20 30 A Y H X S+ 0 0 37 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.807 115.7 58.6 -75.1 -23.3 55.3 -48.2 28.5 21 31 A G H X S+ 0 0 7 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.866 108.8 45.5 -69.6 -33.7 55.9 -49.6 25.0 22 32 A T H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.797 107.1 57.0 -79.1 -27.9 53.6 -46.9 23.7 23 33 A I H X S+ 0 0 3 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.936 108.3 49.6 -63.3 -43.4 55.3 -44.2 25.9 24 34 A D H X S+ 0 0 37 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.914 108.6 51.8 -59.4 -45.0 58.4 -45.3 24.0 25 35 A E H X S+ 0 0 2 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.930 111.4 46.7 -59.1 -45.9 56.6 -44.9 20.7 26 36 A A H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.908 109.5 54.3 -62.8 -42.2 55.5 -41.4 21.6 27 37 A N H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.868 105.7 53.9 -61.2 -35.3 59.0 -40.6 22.8 28 38 A S H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.864 106.9 50.0 -69.3 -35.1 60.4 -41.7 19.4 29 39 A H H X S+ 0 0 7 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.894 110.0 51.2 -69.4 -37.7 58.0 -39.3 17.5 30 40 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.929 107.8 53.3 -63.2 -42.2 59.1 -36.5 19.7 31 41 A G H X S+ 0 0 2 -4,-2.2 4,-0.8 1,-0.2 415,-0.4 0.881 110.6 46.3 -59.8 -38.6 62.7 -37.3 18.9 32 42 A Y H >< S+ 0 0 6 -4,-1.7 3,-0.8 419,-0.2 4,-0.5 0.906 110.5 52.1 -71.5 -40.0 62.0 -37.2 15.2 33 43 A A H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 4,-0.4 0.889 102.4 62.2 -61.5 -37.3 60.1 -33.9 15.6 34 44 A M H >< S+ 0 0 7 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.801 91.6 64.0 -59.8 -30.3 63.1 -32.5 17.4 35 45 A T T << S+ 0 0 15 -4,-0.8 3,-0.4 -3,-0.8 -1,-0.3 0.743 104.4 48.3 -67.1 -19.8 65.3 -33.0 14.4 36 46 A K T < S+ 0 0 40 -3,-1.7 -1,-0.3 -4,-0.5 3,-0.2 0.477 107.2 58.2 -95.0 -5.4 63.1 -30.4 12.6 37 47 A L < + 0 0 0 -3,-1.2 9,-0.2 -4,-0.4 -1,-0.2 0.023 66.0 106.8-115.7 28.3 63.3 -27.9 15.6 38 48 A Q + 0 0 129 -3,-0.4 -1,-0.1 8,-0.1 -2,-0.1 0.548 52.6 113.3 -83.0 -6.8 67.0 -27.3 15.9 39 49 A G S > S- 0 0 40 -3,-0.2 3,-2.2 1,-0.1 7,-0.2 -0.214 82.8-110.8 -64.7 155.5 66.7 -23.8 14.5 40 50 A G G > S+ 0 0 66 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.717 114.6 67.5 -59.3 -20.7 67.4 -20.7 16.6 41 51 A A G 3 S+ 0 0 63 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.608 106.0 40.1 -76.0 -10.4 63.7 -19.9 16.4 42 52 A F G <> S+ 0 0 14 -3,-2.2 4,-3.3 1,-0.1 5,-0.3 0.153 71.2 121.5-125.4 19.5 62.8 -22.9 18.5 43 53 A I H <> S+ 0 0 101 -3,-0.8 4,-2.2 1,-0.2 5,-0.2 0.881 79.7 49.5 -50.1 -44.6 65.6 -23.1 21.2 44 54 A D H > S+ 0 0 61 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.942 115.3 41.7 -62.8 -48.2 63.0 -22.9 24.0 45 55 A I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.894 113.2 53.8 -67.7 -39.4 60.8 -25.6 22.6 46 56 A Y H X S+ 0 0 50 -4,-3.3 4,-2.2 -9,-0.2 -1,-0.2 0.925 109.6 47.2 -61.4 -45.6 63.7 -27.8 21.7 47 57 A N H X S+ 0 0 83 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.862 111.8 51.1 -64.7 -35.8 65.2 -27.7 25.2 48 58 A E H X S+ 0 0 28 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.878 110.7 48.6 -68.8 -37.3 61.8 -28.4 26.7 49 59 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.862 106.8 56.5 -70.2 -35.5 61.3 -31.4 24.4 50 60 A E H X S+ 0 0 78 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.925 112.0 43.0 -58.9 -45.1 64.8 -32.6 25.3 51 61 A N H >X S+ 0 0 61 -4,-1.8 4,-2.2 1,-0.2 3,-0.5 0.892 109.9 56.6 -67.6 -41.6 63.7 -32.6 29.0 52 62 A I H 3X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.854 99.6 59.5 -60.8 -34.3 60.4 -34.2 28.1 53 63 A Q H 3X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.874 107.2 47.3 -62.3 -35.2 62.1 -37.1 26.5 54 64 A H H < S+ 0 0 4 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.852 109.1 51.3 -63.7 -36.5 57.6 -46.0 36.6 63 73 A L H 3< S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.716 105.1 57.0 -73.9 -21.4 55.1 -48.2 34.7 64 74 A A T 3< S+ 0 0 13 -4,-1.1 -58,-1.8 -3,-0.4 2,-0.6 0.482 83.8 104.0 -87.5 -3.1 57.6 -51.0 34.6 65 75 A I B < -b 6 0B 4 -3,-0.9 2,-0.6 -4,-0.3 3,-0.4 -0.714 61.6-152.4 -85.1 117.0 57.8 -51.1 38.4 66 76 A V S S- 0 0 28 -60,-2.5 3,-0.3 -2,-0.6 68,-0.1 -0.799 71.7 -14.5 -95.0 119.9 55.8 -53.9 39.9 67 77 A E S S- 0 0 179 -2,-0.6 -1,-0.2 66,-0.3 67,-0.1 0.907 117.5 -66.0 58.2 50.0 54.5 -53.4 43.4 68 78 A Q S S+ 0 0 87 -3,-0.4 -1,-0.2 65,-0.2 -61,-0.1 0.857 72.9 166.2 41.6 52.0 56.6 -50.3 44.3 69 79 A K S S+ 0 0 125 -63,-0.3 -1,-0.1 -3,-0.3 -62,-0.1 0.841 72.9 8.3 -61.7 -32.2 59.9 -52.2 44.2 70 80 A I S S- 0 0 62 -64,-0.1 -1,-0.1 -8,-0.1 -2,-0.0 -0.951 100.4 -75.9-144.2 161.0 61.6 -48.8 44.1 71 81 A P - 0 0 103 0, 0.0 -2,-0.0 0, 0.0 2,-0.0 -0.286 53.3-109.0 -60.1 140.8 60.5 -45.1 44.5 72 82 A Y - 0 0 44 1,-0.1 -13,-0.1 2,-0.1 -14,-0.0 -0.333 19.2-154.8 -69.4 154.1 58.8 -43.6 41.5 73 83 A K + 0 0 120 -15,-0.3 2,-0.4 -18,-0.1 -1,-0.1 0.764 68.6 85.7-100.0 -33.5 60.6 -41.0 39.4 74 84 A V - 0 0 4 -16,-0.3 2,-0.3 -15,-0.1 63,-0.2 -0.592 62.1-175.2 -76.3 124.1 57.7 -39.0 37.9 75 85 A T >> - 0 0 62 -2,-0.4 3,-1.2 62,-0.1 4,-1.0 -0.792 41.4-111.8-120.9 162.4 56.5 -36.3 40.3 76 86 A I H 3> S+ 0 0 81 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.786 112.2 70.3 -59.3 -27.6 53.7 -33.7 40.4 77 87 A V H 3> S+ 0 0 88 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.878 98.4 47.7 -58.5 -38.5 56.4 -31.0 40.0 78 88 A M H <> S+ 0 0 22 -3,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.803 109.5 53.7 -73.9 -28.4 57.0 -32.1 36.4 79 89 A V H X S+ 0 0 1 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.918 108.5 48.9 -69.8 -43.4 53.2 -32.1 35.8 80 90 A E H X S+ 0 0 86 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.852 105.6 58.6 -64.9 -33.5 53.0 -28.5 37.0 81 91 A S H X S+ 0 0 26 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.899 106.8 47.8 -61.4 -40.9 55.9 -27.5 34.8 82 92 A L H X S+ 0 0 2 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.923 109.1 53.4 -64.9 -46.4 53.9 -28.7 31.8 83 93 A E H X S+ 0 0 66 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.870 107.4 51.1 -58.9 -39.2 50.8 -26.8 32.9 84 94 A R H X S+ 0 0 149 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.900 111.4 47.0 -66.4 -40.6 52.7 -23.6 33.2 85 95 A K H X S+ 0 0 56 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.867 106.7 59.5 -68.9 -35.5 54.2 -23.9 29.7 86 96 A I H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.960 108.0 43.2 -57.4 -53.4 50.7 -24.8 28.3 87 97 A D H X S+ 0 0 110 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.929 113.1 54.6 -58.0 -44.9 49.2 -21.5 29.4 88 98 A L H X S+ 0 0 97 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.911 112.5 41.2 -54.9 -48.3 52.3 -19.7 28.2 89 99 A Y H X S+ 0 0 2 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.826 110.2 55.9 -73.9 -31.1 52.0 -21.2 24.7 90 100 A I H < S+ 0 0 93 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.878 108.7 52.0 -65.6 -33.2 48.3 -20.7 24.5 91 101 A E H < S+ 0 0 157 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.883 111.2 45.2 -68.1 -40.1 49.1 -17.1 25.2 92 102 A E H < S+ 0 0 86 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.908 101.0 77.8 -71.4 -43.6 51.6 -16.9 22.4 93 103 A A S < S- 0 0 8 -4,-2.7 3,-0.1 1,-0.1 62,-0.1 -0.257 96.7 -91.9 -66.5 153.4 49.5 -18.6 19.8 94 104 A P - 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.179 61.6 -71.6 -61.3 160.3 46.7 -16.7 18.0 95 105 A P - 0 0 110 0, 0.0 2,-0.5 0, 0.0 -4,-0.0 -0.262 50.2-149.2 -55.5 136.9 43.2 -16.9 19.6 96 106 A L + 0 0 74 -3,-0.1 3,-0.1 1,-0.1 4,-0.0 -0.949 36.0 148.0-115.3 121.4 41.6 -20.4 19.1 97 107 A E + 0 0 148 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.396 63.9 42.1-129.6 -2.1 37.8 -20.7 18.8 98 108 A R S S- 0 0 99 73,-0.0 -1,-0.1 0, 0.0 72,-0.1 -0.958 89.2 -91.4-143.2 159.2 37.4 -23.7 16.5 99 109 A F - 0 0 125 -2,-0.3 68,-2.5 73,-0.1 2,-0.3 -0.393 47.0-152.6 -66.0 151.1 38.9 -27.1 16.0 100 110 A I B -C 166 0C 8 66,-0.3 66,-0.2 -4,-0.0 64,-0.0 -0.947 20.1 -97.0-130.8 152.3 41.8 -27.0 13.5 101 111 A L - 0 0 13 64,-2.7 2,-0.6 -2,-0.3 64,-0.3 -0.404 40.4-118.6 -65.7 135.7 43.3 -29.5 11.1 102 112 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.666 80.0 47.1 -78.6 119.6 46.4 -31.3 12.5 103 113 A G + 0 0 6 -2,-0.6 2,-0.7 101,-0.1 102,-0.1 -0.993 38.6 136.8 154.4-145.5 49.4 -30.4 10.3 104 114 A G S S+ 0 0 23 100,-0.4 2,-0.1 -2,-0.3 59,-0.1 -0.881 75.3 30.4 108.1-106.5 50.9 -27.4 8.7 105 115 A S S > S- 0 0 17 -2,-0.7 4,-2.6 48,-0.2 5,-0.2 -0.471 85.7-111.8 -84.2 161.7 54.7 -27.3 8.9 106 116 A E H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.903 118.6 49.5 -59.3 -41.7 56.6 -30.6 9.0 107 117 A A H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 112.4 45.0 -63.0 -52.4 57.6 -29.9 12.6 108 118 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.914 111.7 54.7 -59.1 -42.6 54.1 -29.1 13.8 109 119 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.911 108.8 46.3 -59.1 -45.7 52.7 -32.1 11.9 110 120 A T H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.867 111.5 53.1 -66.0 -34.3 55.1 -34.5 13.6 111 121 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.908 106.5 52.6 -66.2 -40.3 54.2 -33.0 16.9 112 122 A H H X S+ 0 0 3 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.887 109.3 49.2 -61.9 -38.3 50.6 -33.6 16.2 113 123 A I H X S+ 0 0 7 -4,-1.9 4,-2.1 88,-0.2 -2,-0.2 0.950 110.2 50.6 -65.3 -45.8 51.3 -37.2 15.5 114 124 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.920 107.0 56.2 -55.6 -43.7 53.3 -37.4 18.8 115 125 A R H X S+ 0 0 20 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.921 108.1 46.4 -54.5 -47.8 50.2 -35.8 20.5 116 126 A T H X S+ 0 0 3 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.837 112.0 50.5 -67.2 -31.9 48.0 -38.6 19.2 117 127 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.868 108.2 52.5 -74.1 -34.5 50.4 -41.3 20.2 118 128 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.902 109.5 49.8 -65.4 -39.5 50.7 -39.9 23.8 119 129 A R H X S+ 0 0 73 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0 0 26 -60,-3.9 3,-0.7 -2,-0.5 68,-0.1 -0.822 74.5 -17.2 -97.1 122.9 25.8 -41.4 21.9 240 77 B E T 3 S- 0 0 179 -2,-0.6 -1,-0.2 66,-0.3 67,-0.1 0.899 119.8 -64.0 51.3 49.0 22.3 -42.6 20.8 241 78 B Q T 3 S+ 0 0 142 -3,-0.4 -1,-0.2 -6,-0.1 -61,-0.1 0.852 77.1 166.3 43.8 47.3 22.1 -40.1 17.9 242 79 B K S < S+ 0 0 145 -3,-0.7 -1,-0.1 -63,-0.4 -62,-0.1 0.890 71.9 9.3 -55.2 -42.2 22.2 -37.1 20.3 243 80 B I S S- 0 0 61 -64,-0.2 -1,-0.1 -8,-0.1 -5,-0.0 -0.897 103.1 -72.4-134.4 164.0 22.8 -35.0 17.2 244 81 B P - 0 0 109 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.196 45.1-116.4 -59.7 146.0 22.8 -35.6 13.4 245 82 B Y - 0 0 66 1,-0.1 -13,-0.1 2,-0.1 -14,-0.0 -0.572 20.4-164.4 -79.3 146.4 25.5 -37.7 11.7 246 83 B K + 0 0 56 -15,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.696 61.5 88.5-104.5 -27.7 27.6 -35.8 9.2 247 84 B V + 0 0 5 -16,-0.3 2,-0.2 -15,-0.1 63,-0.2 -0.646 58.4 176.6 -80.0 122.0 29.3 -38.6 7.2 248 85 B T >> - 0 0 60 -2,-0.5 4,-1.0 62,-0.1 3,-0.8 -0.739 47.1-104.2-121.2 169.9 27.1 -39.7 4.3 249 86 B I H 3> S+ 0 0 68 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.720 114.3 71.3 -64.7 -20.3 27.4 -42.1 1.4 250 87 B V H 3> S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.918 97.6 47.6 -61.8 -43.8 28.0 -39.1 -0.9 251 88 B M H <> S+ 0 0 26 -3,-0.8 4,-1.4 1,-0.2 -1,-0.2 0.816 110.4 52.9 -67.6 -31.5 31.5 -38.6 0.6 252 89 B V H X S+ 0 0 0 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.915 109.1 47.9 -70.2 -43.7 32.2 -42.4 0.2 253 90 B E H X S+ 0 0 96 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.828 105.7 59.5 -67.9 -29.7 31.3 -42.3 -3.5 254 91 B S H X S+ 0 0 27 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.921 107.2 46.3 -63.3 -42.1 33.4 -39.2 -4.0 255 92 B L H X S+ 0 0 3 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.902 109.3 55.5 -65.1 -41.7 36.4 -41.2 -2.8 256 93 B E H X S+ 0 0 63 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.880 106.0 50.4 -60.3 -39.2 35.4 -44.1 -5.0 257 94 B R H X S+ 0 0 162 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.880 112.0 47.6 -66.9 -37.6 35.5 -41.9 -8.1 258 95 B K H X S+ 0 0 49 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.891 108.5 55.2 -69.4 -39.3 38.9 -40.6 -7.2 259 96 B I H X S+ 0 0 16 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.925 109.0 47.5 -59.0 -45.0 40.2 -44.1 -6.6 260 97 B D H X S+ 0 0 111 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.921 112.2 49.9 -61.6 -45.0 39.1 -45.2 -10.1 261 98 B L H X S+ 0 0 123 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.893 112.8 45.9 -61.7 -43.8 40.7 -42.1 -11.7 262 99 B Y H X S+ 0 0 6 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.841 108.0 55.1 -71.7 -34.0 44.0 -42.7 -9.9 263 100 B I H < S+ 0 0 95 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.873 110.6 49.2 -65.0 -33.0 44.1 -46.4 -10.7 264 101 B E H < S+ 0 0 159 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.876 110.4 49.9 -72.0 -37.9 43.7 -45.3 -14.3 265 102 B E H < S+ 0 0 92 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.916 99.5 75.2 -67.5 -44.9 46.5 -42.7 -14.0 266 103 B A S < S- 0 0 8 -4,-2.5 3,-0.1 1,-0.1 62,-0.1 -0.233 96.4 -92.0 -68.3 157.3 49.1 -45.0 -12.5 267 104 B P - 0 0 69 0, 0.0 -1,-0.1 0, 0.0 64,-0.1 -0.180 63.3 -72.2 -61.9 163.0 51.0 -47.7 -14.5 268 105 B P - 0 0 101 0, 0.0 2,-1.0 0, 0.0 -4,-0.1 -0.352 47.5-121.4 -62.1 136.9 49.4 -51.1 -14.6 269 106 B L + 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-4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.825 111.4 52.4 -68.6 -30.9 48.1 -48.5 7.6 290 127 B V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.871 108.1 51.0 -72.2 -34.8 47.0 -46.1 10.3 291 128 B V H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.891 109.6 50.8 -66.9 -38.4 43.7 -45.6 8.6 292 129 B R H X S+ 0 0 76 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.853 107.9 52.5 -67.4 -33.0 43.3 -49.3 8.5 293 130 B R H X S+ 0 0 11 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.880 108.2 51.1 -69.0 -35.9 44.1 -49.5 12.2 294 131 B A H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.898 106.2 55.7 -65.8 -39.7 41.3 -46.9 12.8 295 132 B E H X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.907 105.0 51.9 -59.1 -42.8 39.0 -49.1 10.8 296 133 B R H X S+ 0 0 11 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.901 108.6 50.7 -62.5 -39.8 39.6 -52.1 13.0 297 134 B S H X S+ 0 0 4 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.870 109.7 50.9 -64.7 -37.3 38.9 -50.0 16.1 298 135 B I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.886 107.0 53.2 -68.2 -38.0 35.6 -48.8 14.5 299 136 B V H X S+ 0 0 3 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H 3> S+ 0 0 129 -2,-1.5 4,-1.5 1,-0.3 -1,-0.2 0.689 82.7 70.4 -56.7 -18.9 27.9 -47.4 9.6 310 147 B V H 3> S+ 0 0 33 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.835 89.0 62.9 -68.2 -30.1 28.8 -45.0 6.8 311 148 B V H <> S+ 0 0 0 -3,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.902 102.0 50.8 -59.9 -39.8 31.9 -43.9 8.8 312 149 B L H X S+ 0 0 16 -4,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.909 111.2 47.1 -65.5 -41.1 33.1 -47.5 8.5 313 150 B K H X S+ 0 0 84 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.899 111.5 52.1 -66.7 -39.3 32.6 -47.5 4.7 314 151 B Y H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.942 111.3 45.0 -61.1 -50.1 34.3 -44.1 4.4 315 152 B V H X S+ 0 0 2 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.837 111.3 55.1 -64.3 -33.0 37.4 -45.2 6.3 316 153 B N H X S+ 0 0 35 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.920 111.9 41.9 -66.3 -44.2 37.5 -48.5 4.4 317 154 B R H X S+ 0 0 52 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.854 106.1 65.9 -70.9 -34.3 37.5 -46.6 1.0 318 155 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.881 98.0 51.6 -56.2 -41.7 40.0 -44.1 2.4 319 156 B S H X 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2,-1.5 1,-0.1 -1,-0.3 -0.734 99.1-126.6 -82.2 101.0 43.4 -72.7 7.0 410 78 C Q + 0 0 110 -2,-1.2 -61,-0.1 -3,-0.2 -1,-0.1 -0.272 50.5 155.7 -53.4 86.6 47.0 -73.7 6.2 411 79 C K + 0 0 134 -2,-1.5 -1,-0.2 -63,-0.2 -62,-0.1 0.608 69.0 26.7 -88.3 -15.6 46.5 -74.1 2.5 412 80 C I S S- 0 0 79 -3,-0.1 -1,-0.1 -64,-0.1 3,-0.1 -0.976 92.1 -93.1-145.6 156.4 50.3 -73.5 2.1 413 81 C P - 0 0 108 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 -0.232 51.1 -95.6 -64.5 158.2 53.5 -73.9 4.0 414 82 C Y - 0 0 62 1,-0.1 -13,-0.1 2,-0.1 -14,-0.0 -0.383 26.9-153.2 -71.5 156.4 54.8 -70.9 6.1 415 83 C K + 0 0 129 -15,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.738 67.6 87.0-102.5 -31.2 57.4 -68.7 4.4 416 84 C V - 0 0 5 -16,-0.3 2,-0.3 -15,-0.1 63,-0.2 -0.617 60.8-173.4 -77.7 122.2 59.4 -67.3 7.3 417 85 C T >> - 0 0 64 -2,-0.5 3,-1.2 62,-0.1 4,-0.8 -0.741 38.9-111.4-115.8 162.7 62.2 -69.6 8.3 418 86 C I H >> S+ 0 0 74 1,-0.3 4,-2.4 -2,-0.3 3,-0.6 0.801 111.6 70.3 -59.5 -30.7 64.8 -69.7 11.2 419 87 C V H 3> S+ 0 0 89 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.867 96.7 51.9 -55.6 -37.5 67.5 -69.0 8.7 420 88 C M H <> S+ 0 0 28 -3,-1.2 4,-1.3 2,-0.2 -1,-0.3 0.804 108.2 51.4 -70.6 -29.4 66.2 -65.4 8.3 421 89 C V H S- 0 0 12 -2,-0.5 4,-2.6 48,-0.2 5,-0.2 -0.391 84.9-112.6 -74.8 159.7 69.9 -37.8 12.9 448 116 C E H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.926 117.9 50.4 -59.0 -45.4 66.7 -37.8 10.9 449 117 C A H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.946 112.6 45.0 -57.7 -52.0 67.5 -41.3 9.6 450 118 C A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 110.7 55.5 -60.7 -40.7 68.2 -42.7 13.0 451 119 C A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.902 108.6 46.4 -60.2 -43.1 65.1 -41.0 14.4 452 120 C T H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.855 110.4 53.7 -69.0 -33.1 62.8 -42.7 11.8 453 121 C I H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.882 106.6 52.9 -67.1 -37.4 64.5 -46.0 12.4 454 122 C H H X S+ 0 0 2 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.884 108.3 49.8 -65.2 -38.2 63.8 -45.6 16.2 455 123 C I H X S+ 0 0 5 -4,-1.7 4,-1.7 -427,-0.2 3,-0.3 0.957 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