==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAY-12 4FB9 . COMPND 2 MOLECULE: PROTEIN SYNTHESIS INHIBITOR I; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR B.-G.LEE,M.K.KIM,S.W.SUH,H.K.SONG . 1114 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 704 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 51 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 319 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.2 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 8 0 7 2 0 11 0 4 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 0 0 4 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 . 10 6 6 4 0 4 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 . 4 0 2 0 4 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 4 A K 0 0 127 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 8.7 31.9 68.0 -18.4 2 5 A X - 0 0 83 1,-0.1 101,-0.2 54,-0.1 100,-0.1 -0.475 360.0 -89.6 -77.1 157.5 28.2 67.1 -17.6 3 6 A A - 0 0 3 99,-3.0 2,-0.3 -2,-0.1 55,-0.2 -0.260 40.7-143.8 -63.8 155.6 27.5 63.8 -16.0 4 7 A K S S+ 0 0 108 53,-2.2 4,-0.1 1,-0.1 -1,-0.0 -0.913 71.1 15.1-122.3 149.2 26.8 60.8 -18.3 5 8 A N S > S+ 0 0 77 -2,-0.3 3,-2.0 1,-0.1 55,-0.2 0.660 70.1 144.8 67.0 19.8 24.4 57.8 -17.8 6 9 A V T 3 S+ 0 0 10 1,-0.3 72,-0.1 -3,-0.1 -1,-0.1 0.889 80.2 37.7 -56.1 -40.1 22.5 59.5 -15.0 7 10 A D T 3 S+ 0 0 97 1,-0.2 -1,-0.3 70,-0.1 -2,-0.1 0.097 105.0 73.7-101.0 23.7 19.2 57.9 -16.3 8 11 A K S < S- 0 0 151 -3,-2.0 52,-0.3 -4,-0.1 -1,-0.2 -0.546 76.8-169.0-125.5 65.8 21.0 54.7 -17.2 9 12 A P - 0 0 40 0, 0.0 52,-0.3 0, 0.0 3,-0.1 -0.198 29.0-137.0 -62.3 145.3 21.5 53.3 -13.6 10 13 A L S S- 0 0 75 50,-3.2 2,-0.3 1,-0.2 51,-0.2 0.774 89.0 -14.2 -68.1 -29.2 23.8 50.3 -13.0 11 14 A F - 0 0 23 49,-0.3 51,-2.3 2,-0.0 2,-0.4 -0.959 64.0-130.6-160.9 167.1 21.0 49.1 -10.7 12 15 A T E -a 62 0A 65 -2,-0.3 2,-0.4 49,-0.2 51,-0.2 -0.994 14.5-162.2-128.7 124.1 17.9 50.3 -8.9 13 16 A A E -a 63 0A 13 49,-2.6 51,-3.0 -2,-0.4 2,-0.4 -0.896 13.0-162.2-103.5 135.3 17.3 49.8 -5.2 14 17 A T E -a 64 0A 66 -2,-0.4 2,-0.4 49,-0.2 51,-0.2 -0.951 11.4-178.9-125.5 136.9 13.7 50.2 -4.0 15 18 A F E -a 65 0A 7 49,-2.8 51,-2.5 -2,-0.4 2,-0.6 -0.996 22.1-141.9-135.3 132.2 12.3 50.7 -0.5 16 19 A N E > -a 66 0A 32 -2,-0.4 3,-2.7 49,-0.2 51,-0.2 -0.809 19.0-140.8 -84.8 117.9 8.6 51.1 0.6 17 20 A V T 3 S+ 0 0 2 49,-3.0 119,-0.2 -2,-0.6 50,-0.1 0.654 101.4 53.4 -60.1 -13.1 8.7 53.7 3.4 18 21 A Q T 3 S+ 0 0 73 48,-0.4 -1,-0.3 118,-0.1 172,-0.1 0.441 87.9 113.6 -96.7 1.0 6.1 51.7 5.3 19 22 A A S < S- 0 0 14 -3,-2.7 5,-0.1 1,-0.1 169,-0.0 -0.151 72.9 -82.2 -77.2 167.5 8.1 48.5 5.2 20 23 A S > - 0 0 55 1,-0.1 4,-2.0 3,-0.1 -1,-0.1 -0.111 32.3-113.0 -66.9 161.1 9.7 46.6 8.2 21 24 A S H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 120.5 55.6 -55.1 -41.4 13.0 47.4 9.9 22 25 A A H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 106.5 48.8 -60.1 -42.5 14.2 44.1 8.5 23 26 A D H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.846 108.9 54.1 -67.1 -33.7 13.3 45.1 5.0 24 27 A Y H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.936 108.7 48.5 -63.4 -45.5 15.1 48.4 5.5 25 28 A A H X S+ 0 0 49 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.910 111.6 49.7 -59.2 -42.6 18.2 46.5 6.6 26 29 A T H X S+ 0 0 98 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.902 109.8 51.9 -61.8 -42.2 17.9 44.2 3.5 27 30 A F H X S+ 0 0 18 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.928 112.5 44.1 -61.6 -48.6 17.5 47.3 1.2 28 31 A I H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.932 113.1 51.2 -64.6 -44.2 20.7 49.0 2.6 29 32 A A H X S+ 0 0 48 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.884 107.5 54.5 -61.3 -36.1 22.7 45.8 2.5 30 33 A G H X S+ 0 0 31 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.857 105.4 51.9 -65.8 -37.8 21.6 45.3 -1.1 31 34 A I H X S+ 0 0 0 -4,-1.6 4,-1.6 -3,-0.2 -1,-0.2 0.939 110.7 47.7 -63.7 -48.9 22.9 48.7 -2.1 32 35 A R H X S+ 0 0 21 -4,-2.1 4,-1.0 1,-0.2 3,-0.2 0.921 112.3 50.7 -55.4 -46.4 26.3 48.0 -0.5 33 36 A N H < S+ 0 0 44 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.896 111.4 46.1 -61.1 -42.2 26.5 44.6 -2.3 34 37 A K H < S+ 0 0 124 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.738 112.7 51.3 -76.6 -20.6 25.7 46.0 -5.7 35 38 A L H < S+ 0 0 1 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.641 88.9 115.4 -84.3 -16.8 28.2 48.9 -5.3 36 39 A R < - 0 0 37 -4,-1.0 12,-0.2 -3,-0.5 5,-0.1 -0.042 68.6-128.9 -65.9 152.0 31.1 46.7 -4.3 37 40 A N > - 0 0 0 10,-2.3 3,-2.5 3,-0.5 10,-0.4 -0.906 21.3-153.8 -88.7 110.2 34.3 46.0 -6.1 38 41 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.771 92.7 54.0 -60.0 -23.3 34.2 42.2 -6.1 39 42 A A T 3 S+ 0 0 14 1,-0.2 2,-0.4 229,-0.1 233,-0.1 0.455 106.0 58.5 -88.5 -2.4 38.0 42.2 -6.3 40 43 A H < + 0 0 23 -3,-2.5 7,-1.5 7,-0.2 -3,-0.5 -0.822 54.9 150.2-141.9 99.9 38.5 44.5 -3.3 41 44 A F E -F 46 0B 38 -2,-0.4 2,-0.4 5,-0.2 7,-0.0 -0.858 26.0-153.9-115.7 157.9 37.3 43.9 0.3 42 45 A S E > S-F 45 0B 0 3,-2.6 3,-1.6 -2,-0.3 176,-0.1 -0.965 81.1 -19.7-133.1 117.4 38.8 45.1 3.6 43 46 A H T 3 S- 0 0 70 -2,-0.4 -1,-0.1 1,-0.3 826,-0.1 0.880 127.0 -55.3 52.5 42.7 38.1 43.0 6.7 44 47 A N T 3 S+ 0 0 50 1,-0.2 -1,-0.3 825,-0.1 826,-0.0 0.688 114.2 119.3 60.7 23.7 35.1 41.5 4.9 45 48 A R E < -F 42 0B 49 -3,-1.6 -3,-2.6 208,-0.0 -1,-0.2 -0.942 68.8-110.6-111.4 140.8 33.6 44.9 4.2 46 49 A P E -F 41 0B 10 0, 0.0 208,-2.8 0, 0.0 2,-0.4 -0.346 24.5-150.6 -69.7 147.3 33.1 45.9 0.6 47 50 A V B -g 254 0C 0 -7,-1.5 -10,-2.3 -10,-0.4 -7,-0.2 -0.965 18.8-121.3-112.7 138.1 35.2 48.7 -1.0 48 51 A L - 0 0 0 206,-2.9 -12,-0.1 -2,-0.4 33,-0.1 -0.367 34.5-102.8 -65.2 153.0 33.9 50.9 -3.8 49 52 A P - 0 0 1 0, 0.0 207,-0.4 0, 0.0 -1,-0.1 -0.416 50.4 -89.6 -66.9 159.2 35.7 50.8 -7.0 50 53 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 32,-0.1 -0.245 47.3 -92.3 -61.3 158.8 37.9 54.0 -7.6 51 54 A V - 0 0 65 205,-0.2 218,-0.1 30,-0.1 30,-0.0 -0.609 49.5-106.5 -68.0 131.4 36.5 57.0 -9.3 52 55 A E > - 0 0 53 -2,-0.3 3,-0.7 1,-0.1 2,-0.1 -0.448 39.4-123.7 -63.1 124.8 37.2 56.8 -13.0 53 56 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.411 78.8 5.0 -76.1 149.7 40.0 59.3 -13.9 54 57 A N T 3 S+ 0 0 161 1,-0.1 -2,-0.0 -2,-0.1 0, 0.0 0.740 106.3 91.9 45.2 37.9 39.7 62.0 -16.5 55 58 A V S < S- 0 0 70 -3,-0.7 -1,-0.1 -54,-0.0 3,-0.1 -0.953 81.3-104.6-139.3 156.8 36.0 61.4 -17.4 56 59 A P - 0 0 30 0, 0.0 2,-0.4 0, 0.0 -54,-0.1 -0.230 64.4 -64.4 -67.2 170.9 32.9 63.1 -15.9 57 60 A P + 0 0 23 0, 0.0 -53,-2.2 0, 0.0 -51,-0.1 -0.484 66.7 161.2 -62.3 117.8 30.8 61.0 -13.4 58 61 A S + 0 0 19 -2,-0.4 2,-0.5 -55,-0.2 -55,-0.0 0.341 46.4 80.0-121.0 -0.7 29.5 58.2 -15.6 59 62 A R + 0 0 14 -7,-0.1 21,-2.6 -50,-0.0 22,-0.5 -0.958 57.0 159.1-118.4 117.7 28.5 55.5 -13.1 60 63 A W E - B 0 79A 1 -2,-0.5 -50,-3.2 -52,-0.3 -49,-0.3 -0.890 22.7-164.1-134.2 155.5 25.2 55.9 -11.4 61 64 A F E - B 0 78A 1 17,-2.7 17,-2.5 -2,-0.3 2,-0.4 -0.944 18.1-131.3-132.8 163.0 22.5 54.0 -9.5 62 65 A H E -aB 12 77A 12 -51,-2.3 -49,-2.6 -2,-0.3 2,-0.4 -0.897 7.8-159.8-112.6 145.8 18.9 54.8 -8.6 63 66 A V E -aB 13 76A 0 13,-1.8 13,-3.5 -2,-0.4 2,-0.5 -0.995 10.2-159.2-115.7 128.4 17.1 54.6 -5.3 64 67 A V E -aB 14 75A 24 -51,-3.0 -49,-2.8 -2,-0.4 2,-0.5 -0.940 4.0-167.0-108.7 123.0 13.3 54.5 -5.5 65 68 A L E -aB 15 74A 1 9,-2.6 9,-2.6 -2,-0.5 2,-0.4 -0.952 11.4-168.3-113.9 122.3 11.4 55.4 -2.3 66 69 A K E -a 16 0A 49 -51,-2.5 -49,-3.0 -2,-0.5 -48,-0.4 -0.875 30.4-145.6-118.1 141.2 7.7 54.6 -2.3 67 70 A A S S- 0 0 57 5,-0.4 -1,-0.1 -2,-0.4 -51,-0.1 0.722 91.9 -3.5 -69.5 -23.6 4.7 55.5 -0.1 68 71 A S S > S- 0 0 34 4,-0.1 3,-0.5 3,-0.1 -1,-0.1 -0.960 84.1 -92.2-160.3 166.2 3.3 52.0 -0.7 69 72 A P T 3 S+ 0 0 91 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.750 125.4 39.7 -60.0 -22.1 4.0 48.9 -2.7 70 73 A T T 3 S+ 0 0 129 2,-0.1 3,-0.1 -4,-0.0 -3,-0.0 0.628 94.6 103.7 -99.2 -19.7 1.9 50.1 -5.6 71 74 A S S < S- 0 0 39 -3,-0.5 2,-0.2 1,-0.1 -3,-0.1 -0.250 77.4-111.9 -69.4 147.6 2.8 53.8 -5.6 72 75 A A - 0 0 81 -6,-0.1 -5,-0.4 1,-0.0 2,-0.2 -0.583 47.4-142.9 -68.0 142.8 5.1 55.5 -8.1 73 76 A G - 0 0 15 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.642 13.7 -95.7-114.1 168.0 8.1 56.5 -6.0 74 77 A L E -B 65 0A 0 -9,-2.6 -9,-2.6 -2,-0.2 2,-0.5 -0.639 40.8-142.5 -74.9 134.0 10.7 59.3 -5.7 75 78 A T E -BC 64 89A 22 14,-1.3 14,-2.3 -2,-0.3 2,-0.5 -0.905 10.6-159.5-104.9 126.9 13.8 58.4 -7.7 76 79 A L E -BC 63 88A 0 -13,-3.5 -13,-1.8 -2,-0.5 2,-0.7 -0.896 7.7-148.7-102.9 132.9 17.2 59.4 -6.4 77 80 A A E +BC 62 87A 0 10,-3.2 9,-2.6 -2,-0.5 10,-1.5 -0.898 27.1 174.7 -99.6 113.3 20.2 59.7 -8.7 78 81 A I E -BC 61 85A 0 -17,-2.5 -17,-2.7 -2,-0.7 7,-0.2 -0.949 34.4-110.6-127.6 137.4 23.3 58.7 -6.8 79 82 A R E > -B 60 0A 36 5,-2.7 4,-1.5 -2,-0.4 -19,-0.3 -0.446 17.0-150.1 -67.8 134.1 26.9 58.3 -7.9 80 83 A A T 4 S+ 0 0 0 -21,-2.6 -20,-0.2 1,-0.2 -1,-0.1 0.379 93.1 54.7 -86.5 2.3 28.1 54.6 -7.9 81 84 A D T 4 S+ 0 0 5 -22,-0.5 175,-0.4 -33,-0.1 -1,-0.2 0.743 130.8 4.4-101.5 -31.2 31.7 55.6 -7.2 82 85 A N T 4 S- 0 0 15 2,-0.1 -2,-0.2 173,-0.1 173,-0.1 0.362 92.2-118.1-136.3 3.4 31.3 57.8 -4.1 83 86 A I < + 0 0 1 -4,-1.5 2,-0.4 1,-0.2 -3,-0.1 0.729 55.0 160.4 63.6 27.6 27.6 57.5 -3.2 84 87 A Y - 0 0 119 -5,-0.1 -5,-2.7 1,-0.0 2,-0.5 -0.664 39.3-132.2 -78.9 129.6 26.9 61.3 -3.7 85 88 A L E +C 78 0A 10 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.687 38.8 158.2 -75.0 125.4 23.3 62.2 -4.2 86 89 A E E + 0 0 22 -9,-2.6 12,-2.4 -2,-0.5 13,-0.5 0.581 55.9 15.0-123.0 -16.3 23.1 64.6 -7.2 87 90 A G E -CD 77 97A 0 -10,-1.5 -10,-3.2 10,-0.2 2,-0.3 -0.987 48.8-164.4-155.8 160.5 19.6 64.4 -8.5 88 91 A F E -CD 76 96A 0 8,-2.0 8,-3.2 -2,-0.3 2,-0.5 -0.988 18.0-135.0-150.4 150.3 16.0 63.4 -7.8 89 92 A K E -CD 75 95A 67 -14,-2.3 -14,-1.3 -2,-0.3 6,-0.2 -0.915 18.6-149.7-113.4 118.6 13.0 62.9 -10.0 90 93 A S > - 0 0 4 4,-2.2 3,-1.9 -2,-0.5 53,-0.2 -0.182 35.6 -94.0 -79.7 175.6 9.6 64.2 -9.0 91 94 A S T 3 S+ 0 0 78 52,-3.1 53,-0.1 1,-0.3 55,-0.1 0.771 123.0 59.5 -65.5 -26.5 6.2 62.7 -9.8 92 95 A D T 3 S- 0 0 77 53,-0.5 -1,-0.3 51,-0.4 52,-0.1 0.402 121.5-104.9 -82.0 3.5 5.7 65.0 -12.9 93 96 A G S < S+ 0 0 37 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.360 71.3 146.9 92.2 -5.2 8.9 63.5 -14.4 94 97 A T - 0 0 13 51,-0.2 -4,-2.2 -5,-0.1 2,-0.6 -0.472 41.9-142.1 -67.8 127.8 11.1 66.5 -13.6 95 98 A W E -D 89 0A 34 10,-0.3 12,-3.2 -2,-0.3 2,-0.4 -0.833 17.1-163.2 -88.4 124.6 14.8 65.8 -12.8 96 99 A W E -De 88 107A 10 -8,-3.2 -8,-2.0 -2,-0.6 2,-0.3 -0.850 4.9-156.1-105.5 141.5 16.1 68.1 -10.1 97 100 A E E -De 87 108A 10 10,-2.2 12,-2.4 -2,-0.4 13,-0.3 -0.876 20.4-152.8-122.4 156.4 19.8 68.5 -9.6 98 101 A L S S+ 0 0 2 -12,-2.4 15,-0.5 -2,-0.3 -11,-0.1 0.386 88.9 53.0-105.1 -1.0 21.9 69.6 -6.6 99 102 A T S > S- 0 0 54 -13,-0.5 3,-1.8 13,-0.2 4,-0.5 -0.983 95.7-113.7-136.0 119.8 24.8 70.9 -8.7 100 103 A P T 3 S+ 0 0 85 0, 0.0 7,-0.1 0, 0.0 -2,-0.0 -0.341 95.2 0.7 -61.7 124.4 24.0 73.5 -11.4 101 104 A G T 3 S+ 0 0 45 2,-0.2 -98,-0.0 5,-0.1 6,-0.0 0.608 98.7 110.0 80.2 13.9 24.6 72.1 -14.9 102 105 A L < + 0 0 25 -3,-1.8 -99,-3.0 1,-0.2 -1,-0.0 0.917 69.5 52.1 -84.1 -47.3 25.8 68.7 -13.8 103 106 A I S > S- 0 0 5 -4,-0.5 3,-2.1 -101,-0.2 -2,-0.2 -0.818 91.9-113.8-101.0 122.6 22.9 66.5 -15.0 104 107 A P T 3 S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.293 98.0 1.1 -55.0 124.7 21.7 66.8 -18.7 105 108 A G T 3 S+ 0 0 78 1,-0.2 -10,-0.3 -11,-0.0 2,-0.1 0.445 100.0 136.4 80.4 1.4 18.2 68.3 -18.8 106 109 A A < - 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0 0 2 -283,-1.2 4,-1.9 -282,-0.1 5,-0.1 -0.300 35.3 -85.9 -95.1-173.3 13.2 62.3 19.5 480 204 B N H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.793 122.2 58.4 -69.8 -29.2 10.1 64.5 20.3 481 205 B E H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.952 110.0 42.6 -63.2 -51.1 7.8 61.5 20.8 482 206 B X H > S+ 0 0 9 -286,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.860 112.2 55.1 -64.5 -33.9 9.8 60.1 23.6 483 207 B K H X S+ 0 0 18 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.940 110.1 46.4 -61.4 -44.2 10.3 63.6 25.0 484 208 B A H < S+ 0 0 10 -4,-2.4 4,-0.4 33,-0.3 -2,-0.2 0.869 111.9 51.1 -66.1 -39.5 6.5 64.0 25.1 485 209 B Q H >< S+ 0 0 0 -4,-2.3 3,-1.3 2,-0.2 7,-0.2 0.948 110.9 47.6 -60.9 -50.3 6.1 60.5 26.7 486 210 B V H >< S+ 0 0 12 -4,-2.8 3,-0.8 1,-0.3 -2,-0.2 0.910 112.8 49.3 -59.0 -42.0 8.6 61.3 29.4 487 211 B N T 3< S+ 0 0 65 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.517 119.0 39.3 -76.0 -3.7 6.9 64.6 30.1 488 212 B G T <> + 0 0 5 -3,-1.3 4,-2.6 -4,-0.4 5,-0.3 -0.098 64.6 134.6-139.2 41.1 3.5 63.0 30.3 489 213 B W H <> S+ 0 0 19 -3,-0.8 4,-2.5 1,-0.2 45,-0.3 0.919 81.5 46.8 -55.1 -47.2 3.8 59.7 32.1 490 214 B Q H > S+ 0 0 112 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.914 111.7 51.5 -63.3 -43.1 0.8 60.4 34.2 491 215 B D H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.898 113.4 43.7 -59.2 -45.4 -1.3 61.5 31.2 492 216 B L H X S+ 0 0 0 -4,-2.6 4,-1.7 -7,-0.2 -1,-0.2 0.866 114.4 49.4 -70.7 -37.5 -0.4 58.3 29.2 493 217 B S H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.944 113.5 46.9 -64.8 -48.3 -1.0 56.1 32.2 494 218 B A H X S+ 0 0 15 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.922 108.8 56.1 -56.9 -46.7 -4.4 57.8 32.8 495 219 B A H X S+ 0 0 17 -4,-2.5 4,-0.5 1,-0.2 18,-0.2 0.865 112.3 41.0 -56.1 -39.5 -5.2 57.5 29.1 496 220 B L H >< S+ 0 0 0 -4,-1.7 3,-1.0 1,-0.2 4,-0.4 0.892 109.5 57.6 -78.0 -39.4 -4.8 53.7 29.1 497 221 B L H >< S+ 0 0 7 -4,-2.4 3,-1.4 1,-0.2 4,-0.5 0.827 99.0 62.4 -59.6 -31.6 -6.4 53.1 32.5 498 222 B K H >< S+ 0 0 108 -4,-1.8 3,-0.9 1,-0.3 12,-0.3 0.803 94.4 60.3 -66.6 -29.7 -9.6 54.8 31.1 499 223 B T T << S+ 0 0 25 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.591 99.5 58.7 -73.0 -10.2 -10.0 52.1 28.4 500 224 B D T < S+ 0 0 71 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 0.628 77.9 109.7 -90.9 -16.6 -10.2 49.5 31.2 501 225 B V S < S- 0 0 32 -3,-0.9 9,-0.6 -4,-0.5 40,-0.1 -0.462 74.9-122.4 -67.3 121.1 -13.3 51.1 32.8 502 226 B K - 0 0 162 38,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 -0.449 29.9-132.3 -66.9 132.9 -16.3 48.9 32.3 503 227 B P - 0 0 32 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.226 33.8 -72.6 -78.8 167.7 -19.1 50.8 30.5 504 228 B P S S- 0 0 70 0, 0.0 3,-0.3 0, 0.0 0, 0.0 -0.288 75.8 -77.0 -50.5 149.7 -22.9 51.1 31.3 505 229 B P S S+ 0 0 116 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.147 116.3 17.5 -62.3 150.2 -24.6 47.8 30.5 506 230 B G S S+ 0 0 91 1,-0.2 2,-0.2 -3,-0.1 0, 0.0 0.932 110.8 110.2 53.4 49.0 -25.3 46.9 26.8 507 231 B K - 0 0 130 -3,-0.3 -1,-0.2 -4,-0.1 0, 0.0 -0.845 69.8 -76.3-147.4-175.4 -22.8 49.6 25.7 508 232 B S - 0 0 84 -2,-0.2 3,-0.1 -3,-0.1 0, 0.0 -0.702 41.0-116.5 -99.2 129.1 -19.5 50.6 24.2 509 233 B P - 0 0 98 0, 0.0 -7,-0.1 0, 0.0 -10,-0.1 -0.178 45.7 -88.9 -54.9 146.6 -16.1 50.3 25.8 510 234 B A - 0 0 51 -9,-0.6 2,-0.4 -12,-0.3 3,-0.0 -0.325 45.4-132.1 -57.2 142.1 -14.2 53.6 26.3 511 235 B K - 0 0 196 -3,-0.1 2,-0.1 1,-0.0 -1,-0.1 -0.821 22.3-104.2-104.2 137.1 -12.1 54.4 23.3 512 236 B F - 0 0 18 -2,-0.4 11,-0.1 1,-0.1 -16,-0.1 -0.398 29.9-137.1 -61.4 128.4 -8.4 55.4 23.6 513 237 B A - 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