==== 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 4FBA . 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 . 1112 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 695 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 10.1 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 . 50 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 28.1 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 1 7 0 6 6 2 6 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 . 11 6 5 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 . 5 0 1 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 0 132 0, 0.0 2,-0.1 0, 0.0 54,-0.0 0.000 360.0 360.0 360.0-179.4 32.1 68.7 -18.4 2 5 A M - 0 0 97 1,-0.1 101,-0.2 54,-0.1 100,-0.1 -0.375 360.0 -97.8 -78.2 155.1 28.7 67.2 -17.6 3 6 A A - 0 0 3 99,-2.9 2,-0.3 53,-0.1 55,-0.2 -0.325 38.5-140.5 -64.0 154.3 28.2 63.8 -15.9 4 7 A K S S+ 0 0 109 53,-2.1 -1,-0.0 1,-0.1 4,-0.0 -0.882 70.8 15.5-118.9 151.0 27.5 60.8 -18.1 5 8 A N > + 0 0 55 -2,-0.3 3,-1.3 1,-0.1 55,-0.3 0.664 68.4 138.6 64.6 21.0 25.1 57.9 -17.7 6 9 A V T 3 S+ 0 0 5 1,-0.3 -1,-0.1 -3,-0.1 72,-0.1 0.851 81.6 46.0 -59.0 -32.7 23.0 59.5 -15.0 7 10 A D T 3 S+ 0 0 111 1,-0.2 -1,-0.3 70,-0.1 -2,-0.1 0.407 106.0 64.6 -89.6 1.1 20.1 58.0 -16.9 8 11 A K S < S- 0 0 131 -3,-1.3 52,-0.3 53,-0.0 -1,-0.2 -0.565 76.5-167.7-124.5 68.5 21.8 54.7 -17.2 9 12 A P - 0 0 41 0, 0.0 52,-0.3 0, 0.0 3,-0.1 -0.223 25.5-137.7 -62.7 141.7 22.1 53.3 -13.7 10 13 A L S S- 0 0 63 50,-3.2 2,-0.3 1,-0.2 51,-0.2 0.768 87.2 -15.5 -67.1 -27.7 24.4 50.3 -13.0 11 14 A F - 0 0 24 49,-0.3 51,-2.6 2,-0.0 2,-0.4 -0.959 63.4-130.5-163.5 166.2 21.6 49.1 -10.7 12 15 A T E -a 62 0A 66 -2,-0.3 2,-0.4 49,-0.2 51,-0.2 -0.996 13.9-161.4-126.2 128.0 18.5 50.3 -8.9 13 16 A A E -a 63 0A 14 49,-2.8 51,-3.2 -2,-0.4 2,-0.4 -0.922 11.8-161.5-106.7 135.6 17.8 49.7 -5.2 14 17 A T E -a 64 0A 74 -2,-0.4 2,-0.4 49,-0.2 51,-0.2 -0.940 10.9-179.5-122.3 135.7 14.2 50.0 -4.0 15 18 A F E -a 65 0A 8 49,-2.5 51,-2.9 -2,-0.4 2,-0.6 -0.999 21.8-142.8-132.6 133.5 12.8 50.5 -0.6 16 19 A N E > -a 66 0A 36 -2,-0.4 3,-2.8 49,-0.2 51,-0.2 -0.857 18.9-141.1 -89.6 118.0 9.2 50.8 0.5 17 20 A V T 3 S+ 0 0 1 49,-3.2 119,-0.1 -2,-0.6 50,-0.1 0.670 100.3 52.5 -59.2 -17.7 9.1 53.4 3.4 18 21 A Q T 3 S+ 0 0 66 48,-0.3 -1,-0.3 118,-0.0 172,-0.1 0.416 88.6 112.6 -96.2 2.6 6.6 51.4 5.3 19 22 A A S < S- 0 0 14 -3,-2.8 5,-0.0 1,-0.1 169,-0.0 -0.127 73.0 -81.0 -75.0 171.7 8.6 48.1 5.1 20 23 A S > - 0 0 55 1,-0.1 4,-1.8 3,-0.0 5,-0.2 -0.173 32.5-110.7 -74.2 161.8 10.2 46.3 8.1 21 24 A S H > S+ 0 0 38 166,-0.3 4,-2.3 1,-0.2 5,-0.2 0.872 121.0 52.7 -50.4 -44.0 13.5 47.0 9.8 22 25 A A H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 107.4 50.9 -65.0 -39.1 14.8 43.7 8.4 23 26 A D H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.810 108.8 52.3 -67.9 -29.8 13.8 44.8 4.8 24 27 A Y H X S+ 0 0 3 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.915 109.3 48.8 -70.0 -42.7 15.6 48.1 5.4 25 28 A A H X S+ 0 0 49 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.899 111.6 49.5 -62.2 -39.3 18.7 46.2 6.4 26 29 A T H X S+ 0 0 98 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.904 110.2 51.8 -64.0 -41.6 18.4 44.0 3.3 27 30 A F H X S+ 0 0 16 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.935 112.8 43.3 -60.5 -50.4 18.0 47.2 1.2 28 31 A I H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.921 113.3 52.4 -63.8 -42.2 21.1 48.9 2.6 29 32 A A H X S+ 0 0 48 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.866 107.1 53.6 -61.1 -37.5 23.2 45.6 2.4 30 33 A G H X S+ 0 0 29 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.797 105.5 52.6 -69.9 -31.5 22.2 45.2 -1.2 31 34 A I H X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.3 -2,-0.2 0.959 111.7 45.8 -65.7 -50.5 23.4 48.6 -2.2 32 35 A R H X S+ 0 0 21 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.896 111.7 53.5 -55.3 -44.1 26.8 47.9 -0.6 33 36 A N H < S+ 0 0 42 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.889 111.9 43.0 -61.6 -41.1 26.9 44.6 -2.3 34 37 A K H < S+ 0 0 126 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.746 113.3 52.2 -81.2 -19.1 26.3 46.0 -5.7 35 38 A L H < S+ 0 0 1 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.642 89.2 111.0 -83.7 -16.4 28.7 49.0 -5.2 36 39 A R S < S- 0 0 42 -4,-1.0 12,-0.2 -3,-0.4 5,-0.1 -0.132 71.3-125.3 -73.5 154.4 31.6 46.9 -4.2 37 40 A N > - 0 0 0 10,-2.5 3,-2.2 3,-0.4 10,-0.4 -0.875 21.5-152.9 -85.0 111.4 34.9 46.1 -5.9 38 41 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.781 93.3 53.3 -60.9 -22.0 34.8 42.3 -5.9 39 42 A A T 3 S+ 0 0 14 1,-0.2 2,-0.4 229,-0.1 233,-0.1 0.401 105.3 59.2 -90.9 1.9 38.6 42.3 -6.0 40 43 A H < + 0 0 22 -3,-2.2 7,-1.4 7,-0.2 -3,-0.4 -0.836 54.2 149.6-142.5 101.6 39.1 44.6 -3.0 41 44 A F E -F 46 0B 27 -2,-0.4 2,-0.4 5,-0.2 7,-0.0 -0.886 26.4-153.8-119.2 158.0 37.8 44.0 0.6 42 45 A S E > S-F 45 0B 1 3,-2.5 3,-1.7 -2,-0.3 176,-0.1 -0.979 81.9 -18.1-133.3 118.8 39.4 45.2 3.8 43 46 A H T 3 S- 0 0 75 -2,-0.4 -1,-0.1 1,-0.3 824,-0.1 0.859 127.6 -56.2 52.0 39.0 38.7 43.1 6.9 44 47 A N T 3 S+ 0 0 45 1,-0.3 -1,-0.3 823,-0.1 824,-0.0 0.695 113.1 120.8 65.2 23.2 35.8 41.6 5.0 45 48 A R E < -F 42 0B 50 -3,-1.7 -3,-2.5 208,-0.0 -1,-0.3 -0.937 68.1-110.8-110.8 141.9 34.2 44.9 4.4 46 49 A P E -F 41 0B 9 0, 0.0 208,-2.7 0, 0.0 2,-0.4 -0.355 24.8-151.4 -70.5 148.8 33.6 46.0 0.8 47 50 A V B -g 254 0C 0 -7,-1.4 -10,-2.5 -10,-0.4 -7,-0.2 -0.968 18.7-121.2-116.7 135.9 35.7 48.8 -0.8 48 51 A L - 0 0 0 206,-2.8 -12,-0.2 -2,-0.4 33,-0.1 -0.340 35.1-102.0 -63.1 155.7 34.3 50.9 -3.6 49 52 A P - 0 0 1 0, 0.0 207,-0.4 0, 0.0 -1,-0.1 -0.410 50.7 -89.0 -67.2 160.5 36.2 51.0 -6.9 50 53 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 32,-0.1 -0.238 46.9 -92.8 -62.7 161.0 38.4 54.1 -7.4 51 54 A V - 0 0 67 205,-0.2 218,-0.1 1,-0.1 30,-0.0 -0.610 49.4-106.1 -70.1 133.5 37.0 57.2 -9.0 52 55 A E > - 0 0 53 -2,-0.3 3,-0.7 -3,-0.1 2,-0.1 -0.519 39.1-130.8 -67.0 120.4 37.8 56.9 -12.8 53 56 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.461 77.7 13.6 -75.4 144.0 40.6 59.4 -13.5 54 57 A N T 3 S+ 0 0 166 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.717 106.9 84.9 68.8 25.9 40.4 62.0 -16.3 55 58 A V S < S- 0 0 81 -3,-0.7 -1,-0.2 -54,-0.0 3,-0.1 -0.966 83.0 -98.8-141.8 159.9 36.7 61.6 -17.2 56 59 A P - 0 0 38 0, 0.0 2,-0.4 0, 0.0 -54,-0.1 -0.334 65.6 -69.5 -67.2 163.4 33.5 63.2 -15.8 57 60 A P + 0 0 25 0, 0.0 -53,-2.1 0, 0.0 -51,-0.1 -0.427 65.4 161.9 -59.3 114.8 31.5 61.1 -13.3 58 61 A S + 0 0 18 -2,-0.4 2,-0.5 -55,-0.2 -55,-0.0 0.266 44.2 82.7-124.0 7.3 30.1 58.3 -15.5 59 62 A R + 0 0 14 -7,-0.1 21,-2.8 -50,-0.0 22,-0.4 -0.964 55.4 160.0-119.8 114.9 29.1 55.6 -13.0 60 63 A W E - B 0 79A 0 -2,-0.5 -50,-3.2 -52,-0.3 -49,-0.3 -0.910 20.8-165.9-131.4 153.5 25.7 56.1 -11.4 61 64 A F E - B 0 78A 1 17,-2.6 17,-2.3 -2,-0.3 2,-0.4 -0.928 18.5-127.6-131.9 164.4 23.1 54.0 -9.6 62 65 A H E -aB 12 77A 19 -51,-2.6 -49,-2.8 -2,-0.3 2,-0.5 -0.912 10.0-163.1-112.6 140.3 19.4 54.7 -8.7 63 66 A V E -aB 13 76A 0 13,-1.7 13,-3.1 -2,-0.4 2,-0.6 -0.990 10.9-160.4-112.3 126.4 17.6 54.4 -5.4 64 67 A V E -aB 14 75A 20 -51,-3.2 -49,-2.5 -2,-0.5 2,-0.6 -0.944 2.2-164.5-106.9 120.5 13.8 54.3 -5.6 65 68 A L E -aB 15 74A 1 9,-2.6 9,-2.6 -2,-0.6 2,-0.4 -0.905 9.8-163.8-105.0 118.0 11.9 55.2 -2.4 66 69 A K E -a 16 0A 60 -51,-2.9 -49,-3.2 -2,-0.6 -48,-0.3 -0.829 24.6-154.4-107.2 139.3 8.2 54.2 -2.4 67 70 A A S S+ 0 0 50 5,-0.4 -1,-0.1 -2,-0.4 -51,-0.1 0.725 90.1 3.2 -75.3 -24.4 5.4 55.4 -0.1 68 71 A S S > S- 0 0 34 4,-0.1 3,-0.6 -51,-0.1 -1,-0.2 -0.969 83.8 -99.0-154.1 160.7 3.7 52.1 -0.8 69 72 A P T 3 S+ 0 0 94 0, 0.0 -2,-0.0 0, 0.0 -53,-0.0 0.700 127.2 36.0 -54.5 -21.8 4.3 48.8 -2.7 70 73 A T T 3 S+ 0 0 137 2,-0.1 3,-0.0 -4,-0.0 2,-0.0 0.512 95.2 105.7-111.2 -12.2 2.2 50.2 -5.6 71 74 A S S < S- 0 0 38 -3,-0.6 2,-0.3 1,-0.1 -3,-0.0 -0.339 78.7-112.7 -60.5 146.1 3.2 53.9 -5.3 72 75 A A - 0 0 78 1,-0.1 -5,-0.4 -6,-0.1 2,-0.1 -0.655 45.5-127.2 -73.9 143.2 5.5 55.3 -7.9 73 76 A G - 0 0 14 -2,-0.3 2,-0.5 -7,-0.1 -7,-0.2 -0.440 7.8-106.8 -97.2 165.9 8.7 56.1 -6.1 74 77 A L E -B 65 0A 0 -9,-2.6 -9,-2.6 -2,-0.1 2,-0.5 -0.805 39.5-142.8 -82.0 126.3 11.1 59.0 -5.7 75 78 A T E -BC 64 89A 21 14,-1.1 14,-2.7 -2,-0.5 2,-0.5 -0.821 12.3-161.3 -98.1 128.4 14.2 58.3 -7.8 76 79 A L E -BC 63 88A 0 -13,-3.1 -13,-1.7 -2,-0.5 2,-0.7 -0.914 9.2-147.3-106.5 133.2 17.6 59.3 -6.5 77 80 A A E +BC 62 87A 0 10,-2.8 9,-2.5 -2,-0.5 10,-1.6 -0.883 27.4 174.5 -99.0 116.0 20.6 59.6 -8.7 78 81 A I E -BC 61 85A 1 -17,-2.3 -17,-2.6 -2,-0.7 7,-0.2 -0.946 34.4-110.4-126.6 138.9 23.7 58.7 -6.7 79 82 A R E > -B 60 0A 40 5,-2.5 4,-1.1 -2,-0.4 -19,-0.3 -0.424 17.4-149.1 -66.7 138.2 27.4 58.4 -7.8 80 83 A A T 4 S+ 0 0 0 -21,-2.8 -20,-0.2 1,-0.2 -1,-0.1 0.378 92.5 55.2 -90.0 4.3 28.6 54.7 -7.8 81 84 A D T 4 S+ 0 0 6 -22,-0.4 175,-0.4 -33,-0.1 -1,-0.2 0.730 130.3 5.4-104.9 -31.9 32.2 55.8 -7.0 82 85 A N T 4 S- 0 0 35 2,-0.1 -2,-0.2 173,-0.1 -3,-0.1 0.290 94.3-117.2-135.6 8.8 31.7 57.9 -3.8 83 86 A I < + 0 0 0 -4,-1.1 2,-0.5 1,-0.2 -3,-0.1 0.812 55.4 162.5 60.0 35.9 27.9 57.4 -3.1 84 87 A Y - 0 0 75 -5,-0.1 -5,-2.5 87,-0.0 2,-0.4 -0.770 36.6-135.3 -92.3 123.1 27.2 61.2 -3.6 85 88 A L E +C 78 0A 5 -2,-0.5 -7,-0.2 -7,-0.2 3,-0.1 -0.625 38.5 154.9 -72.7 125.7 23.6 62.2 -4.2 86 89 A E E + 0 0 17 -9,-2.5 12,-2.7 -2,-0.4 13,-0.4 0.541 57.1 26.9-125.0 -19.7 23.5 64.7 -7.0 87 90 A G E -CD 77 97A 0 -10,-1.6 -10,-2.8 10,-0.2 2,-0.3 -0.972 48.9-169.4-144.7 157.5 19.9 64.3 -8.4 88 91 A F E -CD 76 96A 0 8,-2.3 8,-3.4 -2,-0.3 2,-0.6 -0.989 19.0-135.8-147.1 148.7 16.3 63.4 -7.7 89 92 A K E -CD 75 95A 80 -14,-2.7 -14,-1.1 -2,-0.3 6,-0.2 -0.883 18.6-152.2-110.3 113.9 13.3 62.8 -9.9 90 93 A S > - 0 0 4 4,-2.2 3,-2.0 -2,-0.6 53,-0.2 -0.238 34.7 -96.6 -78.0 170.9 9.9 64.3 -8.9 91 94 A S T 3 S+ 0 0 77 52,-2.9 53,-0.1 1,-0.3 55,-0.1 0.706 120.9 60.6 -63.7 -21.8 6.5 62.8 -9.9 92 95 A D T 3 S- 0 0 76 53,-0.5 -1,-0.3 51,-0.3 54,-0.1 0.396 121.7-103.5 -86.6 4.0 6.1 65.2 -12.9 93 96 A G S < S+ 0 0 42 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.301 72.8 145.1 96.3 -7.8 9.2 63.7 -14.4 94 97 A T - 0 0 12 51,-0.2 -4,-2.2 -5,-0.1 2,-0.7 -0.460 43.0-143.7 -70.9 123.7 11.6 66.6 -13.6 95 98 A W E -D 89 0A 49 10,-0.3 12,-3.3 -2,-0.3 2,-0.4 -0.801 18.5-161.1 -83.2 119.8 15.1 65.7 -12.8 96 99 A W E -De 88 107A 10 -8,-3.4 -8,-2.3 -2,-0.7 2,-0.3 -0.842 5.6-157.0-100.2 140.5 16.3 68.1 -10.0 97 100 A E E -De 87 108A 10 10,-2.6 12,-2.6 -2,-0.4 13,-0.3 -0.858 22.3-152.0-122.4 154.9 20.1 68.5 -9.4 98 101 A L S S+ 0 0 3 -12,-2.7 15,-0.6 -2,-0.3 16,-0.2 0.411 88.6 52.6-102.1 -1.0 22.2 69.7 -6.5 99 102 A T S > S- 0 0 49 -13,-0.4 3,-1.6 13,-0.2 4,-0.5 -0.981 92.3-116.1-136.4 121.2 25.0 71.0 -8.6 100 103 A P T 3 S+ 0 0 83 0, 0.0 7,-0.1 0, 0.0 -2,-0.1 -0.317 94.8 3.1 -57.9 132.6 24.3 73.5 -11.4 101 104 A G T 3 S+ 0 0 45 2,-0.2 -98,-0.1 5,-0.2 6,-0.0 0.536 100.0 108.6 74.8 8.8 25.2 72.2 -14.9 102 105 A L < + 0 0 26 -3,-1.6 -99,-2.9 1,-0.2 -1,-0.1 0.932 69.2 48.9 -85.3 -47.3 26.2 68.7 -13.8 103 106 A I S > S- 0 0 7 -4,-0.5 3,-2.0 -101,-0.2 -2,-0.2 -0.841 91.5-111.5-103.2 124.7 23.3 66.5 -15.0 104 107 A P T 3 S- 0 0 76 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.292 98.3 -1.1 -53.5 122.2 22.1 66.8 -18.6 105 108 A G T 3 S+ 0 0 80 1,-0.2 -10,-0.3 -2,-0.1 2,-0.1 0.488 100.0 136.7 78.5 3.6 18.6 68.2 -18.8 106 109 A A < - 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0 0 167 38,-0.4 -1,-0.1 -2,-0.2 -2,-0.1 -0.513 37.9-115.0 -63.7 129.9 52.4 44.7 3.7 224 227 A P - 0 0 55 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.443 27.3-105.7 -74.0 138.9 55.1 46.1 6.0 225 228 A P > - 0 0 68 0, 0.0 3,-1.6 0, 0.0 2,-0.1 -0.168 49.8 -83.1 -53.3 153.7 58.6 47.1 4.6 226 229 A P T 3 S+ 0 0 134 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.413 117.0 21.1 -61.8 132.7 61.6 44.8 5.5 227 230 A G T 3 S+ 0 0 91 1,-0.3 2,-0.2 -2,-0.1 0, 0.0 0.314 109.9 92.9 91.2 -8.3 63.0 45.5 8.9 228 231 A K S < S- 0 0 140 -3,-1.6 -1,-0.3 -4,-0.0 3,-0.1 -0.735 77.0-105.5-116.1 166.1 59.9 47.2 10.2 229 232 A S - 0 0 100 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.660 43.8 -92.4 -93.3 145.2 56.8 46.0 12.0 230 233 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.203 54.5 -90.4 -55.7 142.9 53.3 45.5 10.4 231 234 A A - 0 0 53 -9,-0.5 2,-0.3 -12,-0.2 3,-0.0 -0.297 38.4-151.3 -63.4 131.8 51.0 48.6 10.6 232 235 A K - 0 0 159 -3,-0.1 -1,-0.1 1,-0.1 11,-0.0 -0.811 30.7 -95.2-101.7 143.2 48.7 48.8 13.6 233 236 A F - 0 0 7 -2,-0.3 -16,-0.1 1,-0.1 11,-0.1 -0.316 33.7-138.3 -57.3 134.2 45.3 50.6 13.4 234 237 A A - 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0 0 3 -283,-1.4 4,-1.6 -349,-0.1 5,-0.1 -0.205 34.6 -86.8 -88.7-173.1 13.3 62.1 19.4 480 204 B N H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.794 121.4 59.5 -70.5 -30.0 10.2 64.2 20.1 481 205 B E H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 109.8 42.9 -63.3 -45.6 7.8 61.3 20.5 482 206 B M H > S+ 0 0 9 -286,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.843 111.4 55.8 -69.9 -32.2 9.9 59.9 23.4 483 207 B K H X S+ 0 0 21 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.931 110.4 45.2 -63.7 -41.6 10.2 63.4 24.8 484 208 B A H X S+ 0 0 13 -4,-2.3 4,-0.7 33,-0.3 -2,-0.2 0.884 112.0 51.8 -69.0 -40.4 6.4 63.7 24.8 485 209 B Q H >< S+ 0 0 1 -4,-2.3 3,-1.2 2,-0.2 7,-0.2 0.960 110.7 47.9 -56.6 -53.5 6.0 60.3 26.3 486 210 B V H >< S+ 0 0 12 -4,-2.7 3,-0.9 1,-0.3 -2,-0.2 0.912 113.8 47.2 -56.1 -45.4 8.4 61.1 29.2 487 211 B N H 3< S+ 0 0 70 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.552 118.9 41.6 -76.1 -6.6 6.7 64.4 29.8 488 212 B G T S+ 0 0 18 -3,-0.9 4,-2.5 1,-0.2 45,-0.4 0.898 80.3 47.0 -54.7 -44.5 3.7 59.5 31.7 490 214 B Q H > S+ 0 0 114 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.933 112.3 50.1 -64.9 -45.0 0.6 60.2 33.8 491 215 B D H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.905 114.0 44.0 -58.6 -45.3 -1.5 61.2 30.7 492 216 B L H X S+ 0 0 0 -4,-2.7 4,-1.8 -7,-0.2 -1,-0.2 0.901 113.3 51.0 -69.5 -40.9 -0.5 58.0 28.8 493 217 B S H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.950 113.7 45.2 -58.4 -48.0 -1.0 55.8 31.8 494 218 B A H X S+ 0 0 12 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.883 107.7 58.3 -63.9 -40.1 -4.5 57.3 32.3 495 219 B A H < S+ 0 0 16 -4,-2.3 4,-0.5 -5,-0.2 18,-0.2 0.871 111.7 40.7 -60.3 -38.9 -5.3 57.0 28.6 496 220 B L H >< S+ 0 0 0 -4,-1.8 3,-0.8 -3,-0.2 4,-0.4 0.862 110.3 57.7 -77.4 -36.8 -4.7 53.2 28.7 497 221 B L H >X S+ 0 0 8 -4,-2.2 3,-1.5 1,-0.2 4,-0.5 0.850 98.7 60.8 -62.5 -35.7 -6.4 52.7 32.1 498 222 B K G >< S+ 0 0 108 -4,-2.0 3,-0.8 1,-0.3 12,-0.3 0.796 96.3 60.7 -62.3 -28.3 -9.6 54.2 30.8 499 223 B T G <4 S+ 0 0 27 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.629 98.4 58.5 -75.6 -12.7 -9.8 51.5 28.1 500 224 B D G <4 S+ 0 0 73 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.620 79.2 110.0 -87.4 -16.7 -10.0 48.8 30.9 501 225 B V S << S- 0 0 34 -3,-0.8 9,-0.6 -4,-0.5 40,-0.1 -0.457 73.1-125.7 -67.4 122.5 -13.1 50.3 32.4 502 226 B K - 0 0 193 -2,-0.3 -1,-0.1 38,-0.3 -2,-0.1 -0.524 25.9-144.1 -67.4 127.4 -16.1 48.1 31.9 503 227 B P - 0 0 43 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.268 33.3 -76.7 -82.4 173.8 -19.0 50.0 30.2 504 228 B P > - 0 0 80 0, 0.0 3,-1.4 0, 0.0 0, 0.0 -0.434 45.7-108.5 -65.2 152.6 -22.7 49.5 31.0 505 229 B P T 3 S+ 0 0 148 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.690 122.3 61.0 -53.3 -19.3 -24.2 46.4 29.3 506 230 B G T 3 S+ 0 0 72 2,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.219 102.7 61.1-100.9 41.3 -25.9 49.0 27.1 507 231 B K S < S- 0 0 128 -3,-1.4 3,-0.1 -4,-0.1 0, 0.0 -0.986 78.3-100.5-156.6 170.2 -22.7 50.5 25.7 508 232 B S - 0 0 76 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.665 49.8 -92.8 -90.7 145.8 -19.5 50.0 23.7 509 233 B P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.283 52.8 -97.0 -52.4 137.4 -16.0 49.6 25.3 510 234 B A - 0 0 50 -9,-0.6 2,-0.3 -12,-0.3 -3,-0.0 -0.318 41.8-135.4 -57.6 140.2 -14.2 52.9 25.7 511 235 B K - 0 0 187 -3,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.790 23.1 -97.3-103.7 147.4 -11.8 53.5 22.8 512 236 B F - 0 0 25 -2,-0.3 11,-0.1 1,-0.1 -16,-0.1 -0.395 31.6-137.3 -61.7 127.2 -8.3 54.8 23.2 513 237 B A - 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