==== 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 23-MAY-12 4FBH . 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 . 268 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 15 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 0 2 0 0 3 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 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 PARALLEL BRIDGES PER LADDER . 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 4 A K 0 0 125 0, 0.0 54,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 18.7 36.7 -8.8 -0.8 2 5 A M - 0 0 92 1,-0.1 101,-0.2 54,-0.1 100,-0.1 -0.267 360.0 -98.4 -64.5 158.3 35.3 -11.0 2.0 3 6 A A - 0 0 5 99,-3.3 2,-0.3 53,-0.1 55,-0.2 -0.379 31.6-143.1 -75.6 156.3 35.1 -9.6 5.5 4 7 A K S S+ 0 0 113 53,-2.1 4,-0.0 1,-0.1 -1,-0.0 -0.932 72.4 13.0-115.8 148.7 37.8 -10.3 8.1 5 8 A N > + 0 0 68 -2,-0.3 3,-0.9 1,-0.1 55,-0.3 0.724 68.0 139.1 67.4 27.9 37.3 -10.8 11.9 6 9 A V T 3 S+ 0 0 8 1,-0.2 72,-0.1 -3,-0.1 -1,-0.1 0.860 80.7 47.7 -67.5 -32.8 33.5 -11.3 11.9 7 10 A D T 3 S+ 0 0 123 1,-0.2 -1,-0.2 70,-0.0 -2,-0.1 0.377 107.5 61.5 -87.2 3.0 34.1 -14.0 14.4 8 11 A K S < S- 0 0 150 -3,-0.9 52,-0.3 53,-0.0 -1,-0.2 -0.613 78.1-168.7-126.6 72.6 36.4 -11.7 16.4 9 12 A P - 0 0 40 0, 0.0 52,-0.3 0, 0.0 3,-0.1 -0.247 28.4-132.0 -64.8 148.6 34.2 -8.8 17.5 10 13 A L S S- 0 0 67 50,-3.5 2,-0.3 1,-0.2 51,-0.2 0.819 89.6 -15.1 -64.5 -33.9 35.8 -5.7 19.0 11 14 A F - 0 0 26 49,-0.4 51,-2.0 2,-0.0 2,-0.4 -0.968 64.0-129.0-158.7 166.0 33.1 -5.9 21.7 12 15 A T E -a 62 0A 67 -2,-0.3 2,-0.5 49,-0.2 51,-0.2 -0.991 15.8-163.1-124.0 126.1 29.8 -7.6 22.5 13 16 A A E -a 63 0A 15 49,-2.9 51,-2.7 -2,-0.4 2,-0.4 -0.945 11.0-161.2-109.6 131.0 26.8 -5.8 23.7 14 17 A T E -a 64 0A 76 -2,-0.5 2,-0.4 49,-0.2 51,-0.2 -0.858 10.6-179.9-116.1 139.8 24.0 -7.8 25.2 15 18 A F E -a 65 0A 8 49,-2.8 51,-2.2 -2,-0.4 2,-0.5 -0.993 19.9-144.0-138.5 133.5 20.3 -6.9 25.8 16 19 A N E > -a 66 0A 39 -2,-0.4 3,-1.9 49,-0.2 51,-0.2 -0.863 16.0-140.8 -93.4 127.4 17.5 -8.9 27.4 17 20 A V T 3 S+ 0 0 0 49,-2.5 50,-0.1 -2,-0.5 119,-0.1 0.751 100.5 54.0 -56.4 -27.6 14.2 -8.2 25.6 18 21 A Q T 3 S+ 0 0 111 48,-0.3 -1,-0.3 118,-0.0 49,-0.1 0.477 87.3 109.9 -90.5 -3.2 12.3 -8.2 28.9 19 22 A A S < S- 0 0 19 -3,-1.9 2,-0.0 1,-0.1 -4,-0.0 -0.122 71.0 -91.6 -70.6 169.0 14.5 -5.5 30.6 20 23 A S > - 0 0 54 1,-0.1 4,-1.8 4,-0.0 5,-0.1 -0.233 31.7-102.4 -79.0 166.3 13.5 -2.0 31.4 21 24 A S H > S+ 0 0 16 166,-0.6 4,-2.5 1,-0.2 5,-0.2 0.859 122.1 55.1 -45.3 -47.4 13.7 1.3 29.5 22 25 A A H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 106.4 49.0 -59.8 -47.1 16.7 2.2 31.7 23 26 A D H > S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.839 112.5 49.6 -62.3 -35.0 18.6 -0.9 30.7 24 27 A Y H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.903 108.0 52.3 -70.3 -45.1 17.8 -0.3 27.1 25 28 A A H X S+ 0 0 49 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.857 113.7 43.1 -59.9 -39.1 19.0 3.4 27.2 26 29 A T H X S+ 0 0 96 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.785 108.8 58.1 -80.9 -27.0 22.3 2.4 28.7 27 30 A F H X S+ 0 0 19 -4,-1.4 4,-1.4 -5,-0.2 -2,-0.2 0.951 112.1 42.0 -59.3 -50.1 22.7 -0.6 26.3 28 31 A I H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.912 114.4 50.7 -60.8 -48.0 22.5 2.0 23.5 29 32 A A H X S+ 0 0 46 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.907 107.5 54.6 -57.6 -44.2 24.7 4.5 25.2 30 33 A G H X S+ 0 0 34 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.851 107.0 50.4 -57.2 -37.9 27.3 1.7 25.8 31 34 A I H X S+ 0 0 0 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.945 110.8 48.4 -69.5 -47.0 27.4 0.9 22.1 32 35 A R H >X S+ 0 0 24 -4,-2.1 4,-1.6 1,-0.2 3,-0.7 0.941 111.0 50.8 -54.4 -51.3 27.9 4.6 21.1 33 36 A N H 3< S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.832 111.9 47.0 -60.7 -33.2 30.7 5.0 23.7 34 37 A K H 3< S+ 0 0 126 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.702 113.5 47.2 -83.2 -19.0 32.6 2.0 22.5 35 38 A L H << S+ 0 0 1 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.671 89.6 111.4 -91.2 -21.2 32.3 2.9 18.7 36 39 A R S < S- 0 0 77 -4,-1.6 12,-0.2 -5,-0.2 5,-0.1 -0.072 74.9-121.1 -57.7 147.9 33.4 6.5 19.1 37 40 A N > - 0 0 1 10,-2.4 3,-1.9 3,-0.4 10,-0.4 -0.879 26.2-148.7 -80.8 111.0 36.7 7.9 17.9 38 41 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 226,-0.1 0.757 93.7 47.1 -58.6 -24.4 38.0 9.0 21.3 39 42 A A T 3 S+ 0 0 56 1,-0.1 2,-0.6 221,-0.1 225,-0.1 0.486 101.8 70.2 -95.3 -6.2 39.8 11.9 19.6 40 43 A H < + 0 0 22 -3,-1.9 7,-1.0 7,-0.2 -3,-0.4 -0.879 55.0 158.0-127.0 104.6 37.0 13.2 17.3 41 44 A F E -F 46 0B 90 -2,-0.6 2,-0.3 5,-0.2 -2,-0.0 -0.753 19.8-165.3-114.3 161.3 34.0 15.0 18.7 42 45 A S E > S-F 45 0B 1 3,-1.7 3,-2.0 -2,-0.3 172,-0.1 -0.860 77.2 -21.5-149.6 115.8 31.5 17.4 17.2 43 46 A H T 3 S- 0 0 64 -2,-0.3 171,-0.0 1,-0.3 170,-0.0 0.843 124.3 -55.6 54.3 39.2 29.2 19.5 19.4 44 47 A N T 3 S+ 0 0 144 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.498 113.9 116.9 73.4 7.0 29.6 17.0 22.2 45 48 A R E < -F 42 0B 48 -3,-2.0 -3,-1.7 1,-0.0 -1,-0.2 -0.846 68.8-111.8-104.5 143.3 28.5 14.0 20.1 46 49 A P E -F 41 0B 5 0, 0.0 200,-2.2 0, 0.0 2,-0.4 -0.326 27.3-152.2 -66.9 153.1 30.8 11.1 19.3 47 50 A V B -g 246 0C 0 -7,-1.0 -10,-2.4 -10,-0.4 -7,-0.2 -0.988 16.0-120.0-127.7 137.4 31.9 10.6 15.7 48 51 A L - 0 0 0 198,-2.8 -12,-0.1 -2,-0.4 33,-0.1 -0.343 30.9-107.0 -68.4 155.1 32.8 7.2 14.2 49 52 A P - 0 0 1 0, 0.0 199,-0.4 0, 0.0 -1,-0.1 -0.436 49.4 -88.1 -69.9 159.3 36.3 6.6 12.8 50 53 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 32,-0.1 -0.284 43.9 -96.8 -64.5 153.4 36.5 6.5 9.0 51 54 A V - 0 0 66 197,-0.2 210,-0.1 30,-0.1 -3,-0.0 -0.574 55.1 -98.3 -58.5 129.9 35.9 3.3 7.0 52 55 A E > - 0 0 63 -2,-0.3 3,-0.9 1,-0.1 -1,-0.1 -0.470 36.8-125.1 -63.4 122.5 39.5 2.0 6.4 53 56 A P T 3 S+ 0 0 79 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.780 86.1 5.1 -32.8 -77.0 40.5 3.1 2.8 54 57 A N T 3 S+ 0 0 159 2,-0.1 -2,-0.0 -3,-0.0 -3,-0.0 -0.501 102.8 87.4-128.5 64.8 41.5 -0.1 0.9 55 58 A V S < S- 0 0 76 -3,-0.9 3,-0.1 -2,-0.2 -52,-0.0 -0.933 80.4 -97.9-138.1 162.9 40.9 -3.2 3.0 56 59 A P - 0 0 42 0, 0.0 2,-0.2 0, 0.0 -54,-0.1 -0.470 65.9 -69.5 -75.1 163.7 37.8 -5.3 3.3 57 60 A P + 0 0 19 0, 0.0 -53,-2.1 0, 0.0 -51,-0.1 -0.351 62.7 163.6 -59.6 121.7 35.7 -4.5 6.3 58 61 A S + 0 0 19 -55,-0.2 2,-0.6 -2,-0.2 -55,-0.0 0.388 46.2 83.8-120.8 -2.2 37.7 -5.7 9.3 59 62 A R + 0 0 18 -50,-0.0 21,-2.6 -49,-0.0 22,-0.6 -0.925 54.5 156.9-115.5 114.5 36.0 -4.0 12.3 60 63 A W E - B 0 79A 1 -2,-0.6 -50,-3.5 -52,-0.3 -49,-0.4 -0.911 22.4-165.6-132.4 151.7 32.9 -5.7 13.7 61 64 A F E - B 0 78A 1 17,-2.7 17,-2.7 -2,-0.3 2,-0.4 -0.949 17.1-133.4-129.8 161.4 30.9 -5.9 16.9 62 65 A H E -aB 12 77A 20 -51,-2.0 -49,-2.9 -2,-0.3 2,-0.5 -0.909 8.2-162.3-110.6 141.7 28.2 -8.3 18.1 63 66 A V E -aB 13 76A 0 13,-1.4 13,-3.1 -2,-0.4 2,-0.5 -0.989 11.7-158.5-114.5 130.0 24.9 -7.5 19.7 64 67 A V E -aB 14 75A 21 -51,-2.7 -49,-2.8 -2,-0.5 2,-0.5 -0.963 4.8-167.2-111.7 123.1 23.3 -10.4 21.5 65 68 A L E -aB 15 74A 1 9,-2.2 9,-2.8 -2,-0.5 2,-0.5 -0.948 3.9-162.1-111.1 125.7 19.5 -10.2 22.0 66 69 A K E -a 16 0A 68 -51,-2.2 -49,-2.5 -2,-0.5 -48,-0.3 -0.942 13.8-161.2-112.5 124.3 18.0 -12.7 24.5 67 70 A A S S+ 0 0 24 -2,-0.5 -1,-0.1 5,-0.4 6,-0.1 0.637 82.8 22.7 -75.8 -14.0 14.3 -13.4 24.4 68 71 A S S S- 0 0 50 3,-0.2 -1,-0.1 4,-0.1 -51,-0.0 -0.988 89.4-100.0-153.3 151.3 14.6 -14.8 27.9 69 72 A P S S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.804 118.7 16.3 -35.0 -54.7 16.9 -14.7 31.0 70 73 A T S S+ 0 0 130 2,-0.1 3,-0.1 -3,-0.0 -3,-0.0 0.642 97.6 114.1-105.6 -18.4 18.8 -17.9 30.3 71 74 A S S S- 0 0 55 1,-0.1 -3,-0.2 -5,-0.0 2,-0.0 -0.155 76.5-103.8 -54.8 143.3 18.0 -18.6 26.7 72 75 A A - 0 0 74 1,-0.1 -5,-0.4 -6,-0.1 2,-0.2 -0.378 47.5-125.3 -62.6 151.3 20.8 -18.4 24.2 73 76 A G - 0 0 14 -7,-0.2 2,-0.5 -3,-0.1 -7,-0.2 -0.501 10.2-104.0-102.4 169.6 20.6 -15.2 22.2 74 77 A L E -B 65 0A 0 -9,-2.8 -9,-2.2 -2,-0.2 2,-0.5 -0.793 38.0-143.2 -84.5 129.6 20.4 -14.1 18.6 75 78 A T E -BC 64 89A 23 14,-1.0 14,-2.2 -2,-0.5 2,-0.4 -0.861 11.5-161.9-102.4 127.0 23.8 -12.7 17.6 76 79 A L E -BC 63 88A 0 -13,-3.1 -13,-1.4 -2,-0.5 2,-0.7 -0.871 9.2-147.7-103.2 135.2 24.0 -9.7 15.2 77 80 A A E +BC 62 87A 0 10,-2.8 9,-2.1 -2,-0.4 10,-1.0 -0.912 26.0 176.6-103.9 115.2 27.1 -8.9 13.3 78 81 A I E -BC 61 85A 1 -17,-2.7 -17,-2.7 -2,-0.7 2,-0.3 -0.941 32.2-112.8-123.3 140.2 27.4 -5.2 12.8 79 82 A R E > -B 60 0A 35 5,-2.4 4,-1.6 -2,-0.4 -19,-0.3 -0.527 15.4-149.8 -72.1 132.8 30.2 -3.2 11.3 80 83 A A T 4 S+ 0 0 0 -21,-2.6 -20,-0.2 -2,-0.3 -1,-0.1 0.630 92.5 54.4 -77.7 -13.3 32.0 -0.9 13.7 81 84 A D T 4 S+ 0 0 4 -22,-0.6 167,-0.4 -33,-0.1 -1,-0.2 0.824 130.4 5.0 -90.0 -34.3 32.8 1.7 11.1 82 85 A N T 4 S- 0 0 17 2,-0.1 -2,-0.2 165,-0.1 -1,-0.1 0.341 92.5-117.2-133.7 7.7 29.3 2.5 9.7 83 86 A I < + 0 0 1 -4,-1.6 2,-0.4 1,-0.2 -3,-0.1 0.778 54.3 162.3 60.7 32.0 26.9 0.4 11.9 84 87 A Y - 0 0 116 -5,-0.1 -5,-2.4 2,-0.0 2,-0.5 -0.676 38.8-133.7 -81.0 132.9 25.6 -1.7 9.0 85 88 A L E +C 78 0A 9 -2,-0.4 -7,-0.2 -7,-0.2 28,-0.1 -0.764 39.2 157.4 -79.8 124.9 23.9 -4.9 9.9 86 89 A E E + 0 0 15 -9,-2.1 12,-2.4 -2,-0.5 13,-0.5 0.445 55.0 13.9-129.7 -9.2 25.4 -7.6 7.7 87 90 A G E -CD 77 97A 0 -10,-1.0 -10,-2.8 10,-0.3 2,-0.3 -0.995 46.4-163.4-165.5 156.4 24.7 -10.9 9.4 88 91 A F E -CD 76 96A 0 8,-2.1 8,-3.0 -2,-0.3 2,-0.5 -0.991 20.1-133.7-145.8 147.8 23.0 -12.8 12.1 89 92 A K E -CD 75 95A 82 -14,-2.2 -14,-1.0 -2,-0.3 6,-0.2 -0.876 21.0-147.3-104.8 131.2 23.6 -16.2 13.7 90 93 A S > - 0 0 4 4,-2.3 3,-2.5 -2,-0.5 53,-0.2 -0.450 31.5 -99.3 -93.5 167.4 20.8 -18.7 14.1 91 94 A S T 3 S+ 0 0 80 52,-2.0 53,-0.1 1,-0.3 52,-0.1 0.775 123.7 58.2 -59.0 -27.8 20.2 -21.3 16.9 92 95 A D T 3 S- 0 0 92 53,-0.3 -1,-0.3 51,-0.3 52,-0.1 0.547 122.9-107.7 -76.2 -5.5 21.6 -24.0 14.6 93 96 A G < + 0 0 44 -3,-2.5 2,-0.4 1,-0.3 -2,-0.2 0.555 69.8 146.3 91.8 10.1 24.8 -22.0 14.4 94 97 A T - 0 0 43 12,-0.0 -4,-2.3 1,-0.0 2,-0.6 -0.652 43.5-138.5 -83.0 132.4 24.3 -20.8 10.8 95 98 A W E -D 89 0A 41 -2,-0.4 12,-2.6 10,-0.3 2,-0.5 -0.818 16.3-163.1 -87.0 118.8 25.6 -17.3 9.8 96 99 A W E -De 88 107A 0 -8,-3.0 -8,-2.1 -2,-0.6 2,-0.3 -0.915 8.8-158.7-101.8 127.3 23.1 -15.6 7.5 97 100 A E E -De 87 108A 10 10,-1.7 12,-2.6 -2,-0.5 13,-0.3 -0.731 19.5-150.6-107.8 155.0 24.6 -12.6 5.6 98 101 A L S S+ 0 0 4 -12,-2.4 15,-0.3 -2,-0.3 -11,-0.1 0.408 87.5 56.6-105.1 0.7 22.8 -9.7 4.0 99 102 A T S > S- 0 0 54 -13,-0.5 3,-1.8 13,-0.1 4,-0.4 -0.986 97.8-110.0-130.5 122.8 25.4 -9.1 1.3 100 103 A P T 3 S- 0 0 86 0, 0.0 -2,-0.1 0, 0.0 7,-0.0 -0.267 97.1 -1.3 -58.4 124.6 26.2 -12.1 -1.0 101 104 A G T 3 S+ 0 0 41 2,-0.2 -98,-0.0 5,-0.1 4,-0.0 0.681 96.8 115.3 73.6 22.1 29.6 -13.5 -0.3 102 105 A L < + 0 0 17 -3,-1.8 -99,-3.3 1,-0.2 -1,-0.1 0.856 66.4 53.8 -88.9 -36.9 30.6 -11.0 2.4 103 106 A I S > S- 0 0 6 -4,-0.4 3,-2.9 -101,-0.2 -1,-0.2 -0.889 91.4-111.9-111.2 118.4 31.0 -13.3 5.4 104 107 A P T 3 S- 0 0 74 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.137 100.4 -1.4 -45.1 117.8 33.2 -16.4 5.3 105 108 A G T 3 S+ 0 0 81 1,-0.2 -10,-0.3 -11,-0.0 0, 0.0 0.417 100.7 134.1 81.1 -0.3 31.0 -19.5 5.4 106 109 A A < - 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0 0 5 -3,-0.8 -53,-0.3 -5,-0.1 2,-0.3 -0.388 37.4-167.1 -61.3 129.5 15.2 -19.6 11.1 146 149 A T > - 0 0 64 -2,-0.1 3,-1.8 -55,-0.1 4,-0.3 -0.775 35.1-109.9-111.6 162.3 16.1 -22.8 9.2 147 150 A K G > S+ 0 0 116 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.837 117.0 62.8 -60.5 -30.8 17.7 -23.2 5.8 148 151 A A G 3 S+ 0 0 73 1,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.593 86.3 74.4 -71.2 -9.4 14.4 -24.4 4.4 149 152 A D G X S+ 0 0 21 -3,-1.8 3,-1.2 1,-0.2 -1,-0.3 0.721 80.7 73.2 -75.3 -20.4 12.9 -21.0 5.2 150 153 A K T < S+ 0 0 66 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.812 94.6 47.8 -65.6 -35.6 14.7 -19.5 2.3 151 154 A P T 3 S+ 0 0 112 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.329 93.6 95.8 -87.2 10.6 12.5 -21.1 -0.5 152 155 A S <> - 0 0 40 -3,-1.2 4,-2.5 1,-0.2 5,-0.2 -0.895 62.0-157.1-103.7 114.7 9.4 -20.0 1.3 153 156 A G H > S+ 0 0 55 -2,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.908 94.4 43.5 -51.0 -53.1 7.8 -16.7 0.2 154 157 A P H > S+ 0 0 106 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.865 113.5 51.5 -66.6 -36.7 5.9 -16.0 3.4 155 158 A K H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.887 108.8 51.7 -61.6 -41.5 8.9 -17.0 5.6 156 159 A Q H X S+ 0 0 23 -4,-2.5 4,-1.9 -7,-0.2 -1,-0.2 0.865 109.0 51.5 -63.6 -34.6 11.1 -14.6 3.6 157 160 A Q H X S+ 0 0 65 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.893 110.2 47.5 -69.2 -40.9 8.6 -11.9 4.2 158 161 A Q H X S+ 0 0 91 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.908 109.6 53.6 -66.9 -42.1 8.5 -12.5 7.9 159 162 A A H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.908 108.0 51.0 -58.8 -41.8 12.3 -12.5 8.0 160 163 A R H X S+ 0 0 53 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.896 110.0 48.9 -62.5 -38.8 12.4 -9.1 6.2 161 164 A E H X S+ 0 0 99 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.831 112.2 49.7 -69.7 -31.8 9.9 -7.7 8.8 162 165 A A H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.887 111.5 46.7 -72.7 -44.7 12.1 -9.1 11.6 163 166 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.905 110.7 54.0 -62.1 -43.1 15.3 -7.6 10.2 164 167 A T H X S+ 0 0 1 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.894 108.3 50.0 -58.7 -43.2 13.5 -4.3 9.7 165 168 A T H X S+ 0 0 14 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.898 111.2 47.6 -59.4 -47.5 12.4 -4.3 13.3 166 169 A L H X>S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.8 0.905 108.4 56.1 -62.3 -43.2 16.0 -5.0 14.6 167 170 A L H <>S+ 0 0 9 -4,-2.6 5,-3.0 1,-0.2 6,-0.4 0.907 112.9 40.8 -54.8 -46.1 17.4 -2.2 12.3 168 171 A L H <>S+ 0 0 1 -4,-1.8 5,-0.5 3,-0.2 -1,-0.2 0.892 120.8 40.8 -70.6 -41.6 15.1 0.4 13.8 169 172 A M H <5S+ 0 0 2 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.714 132.6 19.7 -86.2 -20.4 15.4 -0.7 17.5 170 173 A V T X5S+ 0 0 4 -4,-2.6 4,-1.8 -5,-0.2 -3,-0.2 0.780 129.7 31.2-108.4 -67.6 19.1 -1.4 17.4 171 174 A N H > S+ 0 0 60 65,-1.8 4,-2.6 -2,-0.4 5,-0.2 0.827 100.3 58.7 -64.3 -33.3 18.7 10.0 20.0 178 181 A T H > S+ 0 0 43 64,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.940 111.3 40.2 -63.1 -45.7 15.2 10.7 18.7 179 182 A V H > S+ 0 0 0 63,-0.3 4,-2.6 -7,-0.3 -6,-0.2 0.917 116.2 47.6 -68.8 -46.6 14.9 7.0 17.8 180 183 A S H X S+ 0 0 16 -4,-2.6 4,-2.7 -7,-0.5 -2,-0.2 0.921 114.9 48.0 -62.9 -39.2 16.5 5.6 21.0 181 184 A G H X S+ 0 0 43 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.915 110.8 51.1 -63.4 -44.6 14.4 8.0 23.1 182 185 A F H X S+ 0 0 56 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.919 113.3 45.1 -58.8 -47.3 11.3 6.9 21.2 183 186 A V H X S+ 0 0 0 -4,-2.6 4,-0.7 2,-0.2 3,-0.4 0.904 107.4 56.6 -65.7 -43.7 12.0 3.3 21.8 184 187 A A H >< S+ 0 0 18 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.902 105.1 55.1 -54.0 -41.6 12.9 3.7 25.5 185 188 A G H >< S+ 0 0 50 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.842 101.0 56.4 -58.6 -38.2 9.4 5.2 25.9 186 189 A L H 3< S+ 0 0 26 -4,-1.1 -54,-0.4 -3,-0.4 -1,-0.2 0.665 104.4 55.7 -68.2 -14.6 7.7 2.2 24.4 187 190 A L T << S+ 0 0 5 -3,-1.1 -166,-0.6 -4,-0.7 -1,-0.2 0.297 82.6 110.8-102.5 6.0 9.4 -0.0 27.0 188 191 A H < 0 0 135 -3,-1.3 -3,-0.0 -168,-0.1 -168,-0.0 -0.610 360.0 360.0 -83.0 142.7 8.1 2.0 30.0 189 192 A P 0 0 167 0, 0.0 -1,-0.1 0, 0.0 -169,-0.0 0.951 360.0 360.0 -51.8 360.0 5.5 0.3 32.3 190 ! 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 0.0 191 198 A K 0 0 99 0, 0.0 -59,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 70.9 3.1 -0.8 24.2 192 199 A S E +H 131 0D 78 -61,-0.2 2,-0.3 -60,-0.1 -61,-0.2 -0.961 360.0 162.6-131.1 145.4 3.2 -0.2 20.5 193 200 A G E -H 130 0D 14 -63,-2.2 -63,-3.5 -2,-0.3 2,-0.4 -0.989 23.3-145.8-156.0 162.1 4.3 2.8 18.3 194 201 A K - 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0 0 175 34,-0.5 -1,-0.1 -2,-0.1 -2,-0.1 -0.548 40.3-113.4 -67.8 125.8 37.8 26.8 11.1 220 227 A P 0 0 97 0, 0.0 -1,-0.1 0, 0.0 33,-0.0 -0.095 360.0 360.0 -61.0 158.1 36.6 29.8 9.0 221 228 A P 0 0 185 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.078 360.0 360.0 -52.6 360.0 38.9 31.4 6.3 222 ! 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 0.0 223 234 A A 0 0 106 0, 0.0 2,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 114.6 30.0 29.0 8.6 224 235 A K - 0 0 205 1,-0.1 2,-0.5 11,-0.0 11,-0.0 -0.489 360.0 -97.6 -98.9 165.4 26.3 28.4 9.3 225 236 A F - 0 0 22 -2,-0.2 -12,-0.1 9,-0.1 -1,-0.1 -0.680 29.8-134.2 -84.2 123.8 24.1 25.3 9.6 226 237 A A - 0 0 60 -2,-0.5 9,-0.1 -14,-0.2 -14,-0.0 -0.674 28.6-127.9 -75.0 119.5 22.2 24.3 6.5 227 238 A P - 0 0 79 0, 0.0 2,-0.5 0, 0.0 7,-0.2 -0.321 12.6-154.3 -67.3 149.0 18.7 23.4 7.6 228 239 A I B >>> -J 233 0F 42 5,-2.6 5,-1.7 1,-0.1 3,-1.3 -0.842 11.6-173.0-124.0 94.7 17.0 20.1 6.8 229 240 A E G >45S+ 0 0 134 -2,-0.5 3,-1.3 1,-0.3 -1,-0.1 0.839 77.5 57.2 -54.6 -47.4 13.3 20.9 6.9 230 241 A K G 345S+ 0 0 167 1,-0.3 -29,-0.3 2,-0.1 -1,-0.3 0.657 109.1 47.7 -67.3 -17.7 11.9 17.4 6.4 231 242 A M G <45S- 0 0 7 -3,-1.3 -1,-0.3 -30,-0.2 -2,-0.2 0.574 110.6-122.2 -91.9 -15.5 13.8 16.2 9.5 232 243 A G T <<5 + 0 0 14 -3,-1.3 2,-0.7 -4,-0.7 -3,-0.2 0.615 69.6 134.8 81.6 15.0 12.6 19.2 11.5 233 244 A V B < +J 228 0F 2 -5,-1.7 -5,-2.6 1,-0.1 -1,-0.2 -0.837 15.1 153.9-107.2 105.0 16.3 20.1 12.1 234 245 A R + 0 0 120 -2,-0.7 2,-0.3 -7,-0.2 -1,-0.1 0.491 58.6 42.0-110.5 -6.1 16.9 23.8 11.7 235 246 A T S > S- 0 0 62 1,-0.1 4,-1.9 -7,-0.1 5,-0.2 -0.948 78.5-112.8-141.7 160.5 20.0 24.4 13.9 236 247 A A H > S+ 0 0 23 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.872 118.6 52.6 -55.5 -40.9 23.3 22.9 14.9 237 248 A V H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 107.3 49.0 -67.1 -41.6 21.9 22.4 18.4 238 249 A Q H > S+ 0 0 73 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.856 113.6 49.5 -64.9 -33.0 18.8 20.5 17.2 239 250 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 3,-0.4 0.907 109.7 49.3 -69.9 -44.7 21.2 18.4 15.1 240 251 A A H < S+ 0 0 11 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.819 113.4 48.5 -62.9 -31.7 23.4 17.7 18.1 241 252 A N H < S+ 0 0 101 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.668 113.6 46.7 -81.7 -16.4 20.3 16.7 20.0 242 253 A T H < S+ 0 0 13 -4,-0.8 -65,-1.8 -3,-0.4 -64,-1.0 0.819 99.0 78.4 -92.2 -35.1 19.1 14.5 17.2 243 254 A L B < -I 176 0E 0 -4,-2.5 -67,-0.3 -67,-0.2 3,-0.1 -0.585 47.0-179.1 -84.5 131.9 22.3 12.6 16.5 244 255 A G S S- 0 0 0 -69,-3.2 2,-0.3 1,-0.4 -68,-0.2 0.834 80.7 -5.6 -90.5 -43.8 23.5 9.8 18.8 245 256 A I S S- 0 0 0 -70,-1.3 -1,-0.4 -200,-0.1 2,-0.3 -0.963 75.2-128.5-152.9 138.2 26.7 9.2 16.8 246 257 A L B -g 47 0C 0 -200,-2.2 -198,-2.8 -2,-0.3 2,-0.3 -0.622 15.3-125.7 -89.6 142.6 27.9 10.7 13.6 247 258 A L - 0 0 28 -41,-0.3 2,-0.4 -2,-0.3 -165,-0.1 -0.654 39.9-106.7 -70.8 139.7 29.1 8.9 10.5 248 259 A F - 0 0 22 -199,-0.4 2,-0.4 -167,-0.4 -197,-0.2 -0.606 44.1-178.9 -68.4 128.7 32.5 10.1 9.5 249 260 A V - 0 0 26 -2,-0.4 2,-1.3 -39,-0.1 6,-0.1 -0.998 31.0-124.9-131.6 132.3 32.3 12.3 6.4 250 261 A E - 0 0 111 -2,-0.4 6,-0.1 4,-0.0 -39,-0.0 -0.601 39.6-178.8 -75.8 94.5 35.2 14.0 4.7 251 262 A V > - 0 0 14 -2,-1.3 3,-2.0 4,-0.4 2,-0.3 -0.697 38.0 -89.0 -96.1 150.7 34.1 17.6 4.6 252 263 A P T 3 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -34,-0.1 -0.392 113.3 7.6 -59.0 118.1 36.1 20.5 3.1 253 264 A G T 3 S+ 0 0 62 1,-0.4 -34,-0.5 -2,-0.3 2,-0.1 0.414 112.6 96.0 88.8 -2.3 38.4 21.9 5.7 254 265 A G S < S- 0 0 31 -3,-2.0 -1,-0.4 1,-0.2 -39,-0.0 -0.395 89.9 -49.5-101.4-172.2 37.7 19.3 8.3 255 266 A L - 0 0 57 -2,-0.1 -4,-0.4 -3,-0.1 -1,-0.2 -0.261 54.8-134.2 -59.2 141.8 39.7 16.1 9.0 256 267 A T > - 0 0 68 -6,-0.1 4,-2.3 -3,-0.1 5,-0.3 -0.478 27.4-104.1 -85.4 167.3 40.6 13.8 6.1 257 268 A V H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.960 121.0 48.5 -54.0 -53.2 40.2 10.0 6.1 258 269 A A H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 114.1 44.2 -53.7 -51.2 43.9 9.5 6.7 259 270 A K H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.948 112.4 49.3 -65.2 -52.6 44.3 12.0 9.5 260 271 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.833 111.4 53.3 -56.8 -32.2 41.2 11.0 11.5 261 272 A L H X S+ 0 0 14 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.854 107.6 48.1 -71.8 -34.8 42.4 7.4 11.2 262 273 A E H X S+ 0 0 116 -4,-1.6 4,-2.5 -3,-0.4 -2,-0.2 0.863 110.7 52.2 -74.2 -31.6 45.8 8.2 12.6 263 274 A L H X S+ 0 0 51 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.832 107.4 54.7 -69.0 -31.6 44.2 10.1 15.4 264 275 A F H ><>S+ 0 0 7 -4,-1.3 5,-1.5 -5,-0.2 3,-0.6 0.952 111.8 41.3 -63.6 -53.5 42.1 7.0 16.0 265 276 A H H ><5S+ 0 0 100 -4,-2.0 3,-1.5 1,-0.2 4,-0.2 0.919 113.0 52.9 -63.3 -45.6 45.1 4.7 16.4 266 277 A A H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.673 105.6 57.2 -64.0 -16.3 47.1 7.1 18.5 267 278 A S T <<5S- 0 0 47 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.378 124.8 -92.9-100.6 4.0 44.3 7.5 20.9 268 279 A G T < 5S+ 0 0 73 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.825 78.3 141.6 85.8 35.6 43.9 3.9 21.9 269 280 A G < 0 0 15 -5,-1.5 -1,-0.3 -4,-0.2 -2,-0.1 -0.880 360.0 360.0-109.4 142.8 41.2 2.9 19.3 270 281 A K 0 0 183 -2,-0.4 -1,-0.1 -260,-0.0 -5,-0.1 0.405 360.0 360.0-137.6 360.0 41.0 -0.4 17.5