==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RIBOSOME 12-OCT-05 2B9N . COMPND 2 MOLECULE: 5S RIBOSOMAL RNA; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.PETRY,D.E.BRODERSEN,F.V.MURPHY IV,C.M.DUNHAM,M.SELMER,M.J. . 3077 48 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 219870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1597 51.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 261 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 12 0.4 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 . 320 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 278 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 496 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 51 1.7 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 16 5 8 8 4 6 3 3 4 0 0 2 3 1 1 0 1 0 1 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 7 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 0 0 PARALLEL BRIDGES PER LADDER . 40 17 16 8 2 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 . 18 10 4 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 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 60 D Q 0 0 152 0, 0.0 3,-0.1 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 75.9 -141.4 -22.2 -37.5 2 61 D Y + 0 0 166 23,-0.3 2,-0.3 1,-0.1 24,-0.1 0.856 360.0 96.9 29.7 70.3 -139.5 -25.1 -39.2 3 62 D R - 0 0 75 1,-0.0 -1,-0.1 0, 0.0 2,-0.0 -0.989 53.9-146.8-167.8 169.7 -141.8 -28.0 -38.0 4 63 D I + 0 0 115 -2,-0.3 2,-0.3 1,-0.1 39,-0.1 0.131 19.3 164.0-112.6-136.2 -144.7 -30.3 -38.7 5 64 D I + 0 0 75 1,-0.1 2,-0.1 37,-0.1 39,-0.1 -0.816 45.5 16.8 157.0-108.2 -147.4 -31.8 -36.5 6 65 D D + 0 0 14 37,-1.0 -1,-0.1 -2,-0.3 3,-0.1 -0.389 41.1 149.4 -97.5 176.0 -150.8 -33.5 -37.2 7 66 D F + 0 0 72 1,-0.2 85,-0.9 -2,-0.1 37,-0.1 0.206 59.7 36.3 159.6 61.7 -152.4 -35.1 -40.3 8 67 D K - 0 0 70 83,-0.2 2,-0.2 77,-0.0 -1,-0.2 0.074 58.6-145.6 139.7 104.8 -154.8 -38.0 -39.8 9 68 D R + 0 0 17 1,-0.1 3,-0.1 -3,-0.1 82,-0.1 -0.588 32.4 148.6 -88.9 153.1 -157.4 -38.7 -37.2 10 69 D D + 0 0 91 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.194 54.7 84.0-169.8 12.1 -158.2 -42.2 -36.0 11 70 D K + 0 0 81 48,-0.0 -1,-0.2 3,-0.0 2,-0.1 -0.975 63.6 165.9-119.9 110.1 -159.1 -41.7 -32.4 12 71 D D + 0 0 38 -2,-0.5 47,-0.1 1,-0.1 -2,-0.0 -0.269 46.9 74.4-118.8-157.7 -162.8 -40.8 -32.3 13 72 D G S S+ 0 0 72 1,-0.3 -1,-0.1 -2,-0.1 46,-0.0 0.365 85.1 135.7 62.8 -7.2 -165.8 -40.4 -30.0 14 73 D I - 0 0 18 -3,-0.1 2,-0.6 1,-0.1 44,-0.4 -0.366 66.3-111.9 -69.9 146.6 -163.4 -37.5 -29.4 15 74 D P - 0 0 49 0, 0.0 2,-0.8 0, 0.0 42,-0.2 -0.731 27.4-151.2 -83.1 117.1 -164.8 -34.0 -29.0 16 75 D G + 0 0 9 -2,-0.6 40,-5.3 40,-0.5 2,-0.5 -0.789 21.1 171.5 -94.6 107.0 -163.7 -31.8 -32.0 17 76 D R B -A 35 0A 122 18,-1.1 18,-2.2 -2,-0.8 2,-1.8 -0.968 41.5-114.8-118.8 121.8 -163.4 -28.2 -31.0 18 77 D V - 0 0 15 -2,-0.5 36,-2.0 35,-0.2 16,-0.2 -0.254 30.7-158.7 -58.5 81.0 -161.9 -25.7 -33.6 19 78 D A - 0 0 3 -2,-1.8 2,-0.3 13,-0.3 15,-0.2 0.750 43.2 -77.7 -24.8 -73.5 -158.7 -24.8 -31.7 20 79 D T - 0 0 51 33,-0.1 2,-1.6 -3,-0.1 -1,-0.1 -0.989 48.2 -61.3 175.7 177.3 -157.9 -21.5 -33.4 21 80 D I + 0 0 71 -2,-0.3 11,-0.2 11,-0.2 10,-0.1 -0.557 53.8 151.7 -89.3 75.2 -156.4 -19.5 -36.4 22 81 D E - 0 0 78 -2,-1.6 9,-0.6 9,-0.4 -1,-0.2 -0.171 29.2-165.5 -98.3 39.1 -152.8 -20.6 -36.5 23 82 D Y - 0 0 151 7,-0.3 7,-0.2 1,-0.1 6,-0.0 0.059 22.9-138.8 -12.2 129.4 -152.6 -20.0 -40.1 24 83 D D - 0 0 8 5,-0.4 2,-0.8 8,-0.0 3,-0.4 -0.917 20.3-145.3-130.4 143.6 -149.3 -21.9 -40.7 25 84 D P S S+ 0 0 93 0, 0.0 -23,-0.3 0, 0.0 5,-0.1 -0.768 76.1 66.1-105.5 86.1 -146.1 -21.5 -42.8 26 85 D N S S+ 0 0 54 -2,-0.8 4,-0.1 3,-0.3 0, 0.0 0.435 104.6 17.2 178.2 3.1 -144.8 -24.9 -43.9 27 86 D R S S- 0 0 51 -3,-0.4 3,-0.1 2,-0.2 -23,-0.0 0.293 101.5 -94.6-171.6 15.1 -147.0 -26.7 -46.4 28 87 D S S S+ 0 0 60 1,-0.3 2,-0.4 -4,-0.2 109,-0.2 0.477 93.3 122.8 71.7 1.1 -149.4 -24.2 -48.0 29 88 D A - 0 0 16 107,-0.1 2,-0.6 108,-0.1 -5,-0.4 -0.777 50.8-158.3 -96.9 138.4 -151.8 -25.4 -45.2 30 89 D N + 0 0 27 -2,-0.4 -7,-0.3 -7,-0.2 2,-0.2 -0.915 25.6 168.9-118.3 104.4 -153.3 -23.0 -42.7 31 90 D I - 0 0 6 -2,-0.6 -9,-0.4 -9,-0.6 2,-0.4 -0.693 24.5-145.1-116.8 164.9 -154.4 -24.9 -39.6 32 91 D A - 0 0 17 13,-0.7 12,-1.2 12,-0.5 -13,-0.3 -0.972 40.0 -87.7-129.8 144.6 -155.6 -24.1 -36.1 33 92 D L B -B 43 0B 37 -2,-0.4 2,-0.7 10,-0.2 10,-0.2 -0.299 41.9-144.2 -54.2 117.0 -155.0 -26.0 -32.9 34 93 D I - 0 0 6 8,-2.7 2,-0.8 -15,-0.2 -16,-0.2 -0.776 9.7-145.1 -90.4 109.8 -157.8 -28.6 -32.6 35 94 D N B -A 17 0A 42 -18,-2.2 -18,-1.1 -2,-0.7 6,-0.2 -0.658 15.6-162.6 -84.8 109.9 -158.9 -29.0 -28.9 36 95 D Y - 0 0 12 4,-1.4 -20,-0.1 -2,-0.8 21,-0.0 -0.296 30.7-103.1 -81.4 170.6 -159.8 -32.6 -28.1 37 96 D A S S+ 0 0 66 1,-0.2 -1,-0.1 -22,-0.1 -23,-0.0 0.977 118.4 46.3 -60.6 -64.0 -161.8 -33.7 -25.0 38 97 D D S S- 0 0 132 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.868 121.7-104.6 -45.6 -41.3 -159.1 -35.0 -22.8 39 98 D G S S+ 0 0 42 1,-0.4 -1,-0.1 0, 0.0 -2,-0.1 0.111 77.6 136.4 128.9 -17.6 -157.1 -31.9 -23.6 40 99 D E - 0 0 91 -5,-0.1 -4,-1.4 1,-0.1 -1,-0.4 -0.395 37.9-165.6 -58.5 135.2 -154.7 -33.5 -26.1 41 100 D K - 0 0 115 -6,-0.2 2,-0.2 -2,-0.1 -6,-0.1 -0.308 20.4-166.4-119.2-165.5 -154.3 -31.2 -29.1 42 101 D R - 0 0 67 -2,-0.1 -8,-2.7 -8,-0.1 2,-1.4 -0.600 33.8-120.1 173.2 119.0 -153.0 -31.0 -32.7 43 102 D Y B -B 33 0B 73 -10,-0.2 -37,-1.0 -2,-0.2 -10,-0.2 -0.597 57.4-163.0 -61.8 97.1 -152.2 -28.3 -35.2 44 103 D I - 0 0 16 -2,-1.4 -12,-0.5 -12,-1.2 -2,-0.0 -0.436 21.8 -62.3 -95.8 163.0 -154.8 -29.8 -37.6 45 104 D I - 0 0 51 -14,-0.2 -13,-0.7 1,-0.1 -1,-0.2 0.349 42.2-126.1 -25.2 171.8 -155.5 -29.5 -41.3 46 105 D A + 0 0 15 -15,-0.2 2,-2.1 -3,-0.1 -1,-0.1 0.167 42.3 160.8-118.4 14.7 -156.6 -26.1 -42.7 47 106 D P - 0 0 17 0, 0.0 89,-0.4 0, 0.0 87,-0.4 -0.073 52.1-113.2 -41.2 71.5 -159.8 -27.1 -44.4 48 107 D K S S+ 0 0 123 87,-6.4 86,-0.6 -2,-2.1 2,-0.3 0.531 79.7 32.8 1.0 151.8 -161.1 -23.5 -44.5 49 108 D N + 0 0 67 87,-0.1 -1,-0.1 1,-0.1 3,-0.0 -0.656 55.5 118.1 90.1-140.2 -164.2 -22.5 -42.5 50 109 D L S S- 0 0 36 -2,-0.3 4,-0.1 1,-0.1 -1,-0.1 0.887 73.9-117.6 32.2 84.0 -165.1 -24.0 -39.1 51 110 D K - 0 0 124 2,-0.1 -33,-0.2 3,-0.1 -1,-0.1 0.036 23.3 -94.7 -54.4 147.6 -164.8 -20.7 -37.2 52 111 D V S S+ 0 0 67 1,-0.3 2,-4.5 -35,-0.0 -20,-0.0 0.763 115.6 78.8 -16.7 -87.7 -162.3 -20.2 -34.4 53 112 D G S S- 0 0 43 -36,-0.1 -1,-0.3 2,-0.1 -35,-0.2 0.199 94.0-146.1 -27.4 53.9 -164.8 -21.1 -31.8 54 113 D M + 0 0 27 -2,-4.5 -37,-0.2 -36,-2.0 -3,-0.1 0.468 34.3 163.9 -4.6-157.9 -163.9 -24.7 -32.8 55 114 D E + 0 0 76 -39,-0.2 -38,-0.3 1,-0.1 2,-0.2 0.648 38.0 74.7 129.6 46.6 -166.9 -27.0 -32.6 56 115 D I + 0 0 19 -40,-5.3 -40,-0.5 -6,-0.1 2,-0.2 -0.789 27.4 157.5-155.9-162.1 -166.3 -30.3 -34.5 57 116 D M - 0 0 28 -2,-0.2 12,-0.7 8,-0.2 2,-0.2 -0.783 33.7-121.0 168.9-118.7 -164.7 -33.7 -34.9 58 117 D S B -c 69 0C 2 -44,-0.4 4,-0.3 10,-0.2 12,-0.2 -0.717 24.8-170.6-178.3-130.7 -165.7 -36.7 -36.9 59 118 D G - 0 0 0 10,-0.8 -2,-0.0 -2,-0.2 -48,-0.0 -0.198 47.0 -93.1 128.5 148.1 -166.5 -40.3 -36.0 60 119 D P S S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.848 123.8 56.5 -52.4 -31.8 -167.2 -43.9 -37.2 61 120 D D S S- 0 0 100 1,-0.2 2,-0.2 -3,-0.1 -2,-0.2 0.844 103.8-108.1 -62.2-112.5 -170.7 -42.5 -36.9 62 121 D A + 0 0 56 -4,-0.3 -1,-0.2 8,-0.1 -4,-0.1 -0.815 42.8 161.0-162.3-159.1 -171.3 -39.4 -39.0 63 122 D D - 0 0 41 -2,-0.2 -6,-0.2 5,-0.1 -1,-0.0 0.651 19.7-161.6 119.9 69.0 -171.8 -35.6 -39.0 64 123 D I + 0 0 109 1,-0.1 69,-0.1 67,-0.0 68,-0.0 0.688 36.1 153.2 -47.5 -20.3 -171.1 -34.0 -42.4 65 124 D K - 0 0 146 -7,-0.1 -8,-0.2 67,-0.0 -1,-0.1 0.272 68.2 -89.1 -15.1 79.6 -170.8 -30.8 -40.4 66 125 D I S S+ 0 0 78 1,-0.1 66,-0.1 -10,-0.1 3,-0.1 0.439 107.8 22.7 10.3 168.3 -168.5 -29.3 -42.9 67 126 D G S S+ 0 0 1 -19,-0.1 65,-0.5 64,-0.1 15,-0.1 -0.322 91.9 100.6 50.2-129.7 -164.8 -30.1 -42.3 68 127 D N - 0 0 8 63,-0.2 64,-0.4 1,-0.1 2,-0.3 0.427 59.2-143.3 39.0 165.5 -164.8 -33.2 -40.1 69 128 D A B +c 58 0C 9 -12,-0.7 -10,-0.8 62,-0.3 62,-0.3 -0.945 24.9 166.4-166.9 141.0 -164.0 -36.6 -41.7 70 129 D L E -D 130 0D 8 60,-1.0 60,-0.5 -2,-0.3 -8,-0.1 -0.724 49.6 -55.2-135.9-172.1 -164.8 -40.3 -41.7 71 130 D P E -D 129 0D 6 0, 0.0 58,-0.5 0, 0.0 57,-0.3 -0.154 51.2-108.7 -62.5 161.0 -164.3 -43.3 -43.9 72 131 D L S S+ 0 0 9 56,-9.9 55,-0.2 55,-0.8 57,-0.1 0.995 120.8 59.9 -49.3 -71.5 -165.4 -43.4 -47.5 73 132 D E S S+ 0 0 118 53,-1.1 2,-2.1 55,-0.3 -1,-0.2 0.771 101.8 56.0 -17.2 -65.7 -168.1 -45.8 -46.6 74 133 D N S S+ 0 0 64 53,-0.2 -1,-0.3 -14,-0.0 -4,-0.2 -0.450 94.0 96.4 -78.3 70.9 -169.5 -43.1 -44.2 75 134 D I - 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0 0 21 -2,-0.4 4,-1.1 20,-0.3 17,-0.2 -0.681 55.8 -30.2-151.1-157.6 -105.5 -17.7 -169.8 2085 149 Z A T 4 S+ 0 0 3 17,-1.4 3,-0.4 15,-0.2 -1,-0.1 0.813 112.9 59.0 -34.1-108.9 -104.0 -20.6 -171.7 2086 150 Z G T 4 S+ 0 0 40 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.303 115.5 31.8 13.2 -95.1 -106.6 -21.7 -174.3 2087 151 Z D T 4 S+ 0 0 104 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.924 84.5 118.6 -43.4 -76.4 -106.9 -18.4 -176.2 2088 152 Z I < - 0 0 79 -4,-1.1 -1,-0.1 -3,-0.4 -14,-0.1 -0.163 66.3-125.3 45.3-119.5 -103.4 -17.0 -175.8 2089 153 Z K - 0 0 98 -3,-0.2 -1,-0.2 2,-0.0 -2,-0.1 0.313 19.7-154.3 139.0 84.5 -102.0 -16.7 -179.3 2090 154 Z L - 0 0 67 5,-0.1 2,-0.2 2,-0.0 4,-0.0 -0.657 6.2-150.1 -90.1 131.0 -98.7 -18.4 -180.2 2091 155 Z P - 0 0 65 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.629 55.1 -34.3 -94.2 155.6 -96.4 -17.2 -183.1 2092 156 Z E S S+ 0 0 146 -2,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.069 115.6 63.8 31.5-132.1 -94.1 -19.3 -185.3 2093 157 Z G S S- 0 0 18 1,-0.2 2,-1.3 -28,-0.1 -33,-0.1 0.234 78.4-147.0 -17.9 107.5 -92.6 -22.2 -183.3 2094 158 Z C + 0 0 119 1,-0.1 -1,-0.2 -33,-0.1 -2,-0.1 -0.615 52.4 116.9 -94.0 79.1 -95.8 -24.2 -182.5 2095 159 Z T + 0 0 36 -2,-1.3 -1,-0.1 -3,-0.1 -5,-0.1 0.573 32.8 178.6-105.1-106.4 -95.0 -25.7 -179.1 2096 160 Z L - 0 0 84 -39,-0.1 2,-9.9 1,-0.1 -37,-0.1 0.582 8.5-170.5 104.9 18.1 -97.0 -24.9 -175.9 2097 161 Z A S S+ 0 0 67 -40,-0.1 2,-0.1 -69,-0.1 -38,-0.1 0.595 75.6 72.0 -19.6 1.8 -95.0 -27.3 -173.6 2098 162 Z A S S- 0 0 74 -2,-9.9 -39,-0.0 1,-0.1 -41,-0.0 -0.333 83.3-114.7-114.1-165.4 -98.1 -26.0 -171.6 2099 163 Z D - 0 0 116 -2,-0.1 2,-0.2 1,-0.1 3,-0.1 -0.491 29.6 -88.3-123.1-171.7 -101.8 -26.5 -171.6 2100 164 Z P S S+ 0 0 66 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.520 91.1 18.9 -97.4 169.1 -105.1 -24.6 -172.2 2101 165 Z E S S+ 0 0 146 -17,-0.2 2,-0.2 -2,-0.2 -18,-0.0 0.846 88.8 116.8 34.0 97.9 -107.2 -22.5 -169.8 2102 166 Z L S S- 0 0 99 -3,-0.1 -17,-1.4 3,-0.0 -1,-0.1 -0.744 73.3 -26.5 173.1 136.2 -104.8 -21.7 -166.9 2103 167 Z T S S+ 0 0 54 -2,-0.2 -19,-0.1 -19,-0.2 -51,-0.0 0.629 72.6 140.6 12.1 79.1 -103.0 -18.8 -165.2 2104 168 Z V - 0 0 18 -21,-0.4 -50,-0.6 -50,-0.1 -49,-0.5 0.820 65.9 -81.9 -98.3 -68.4 -102.9 -16.3 -168.0 2105 169 Z V - 0 0 16 -22,-2.2 -22,-0.4 -53,-0.1 -53,-0.2 -0.231 48.1-173.3 155.8 112.8 -103.7 -12.9 -166.5 2106 170 Z S - 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0 0 26 76,-1.0 -2,-0.0 -2,-0.4 5,-0.0 -0.857 57.0 -83.2-124.7 166.7 -71.5 18.9 -38.6 2138 37 R T > - 0 0 19 -2,-0.3 4,-2.4 74,-0.2 5,-0.3 -0.182 56.7 -78.5 -69.2 157.6 -70.1 18.2 -42.1 2139 38 R V H >> S+ 0 0 24 73,-1.5 3,-1.7 72,-1.1 4,-1.3 0.654 125.0 25.8 -9.2-115.9 -68.6 20.8 -44.4 2140 39 R P H >> S+ 0 0 69 0, 0.0 4,-1.2 0, 0.0 3,-0.5 0.757 112.2 64.6 -24.2 -90.6 -71.7 22.5 -45.8 2141 40 R K H >> S+ 0 0 102 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.584 115.2 37.0 -3.9 -63.5 -74.1 21.8 -42.9 2142 41 R A H S+ 0 0 14 -4,-2.3 5,-0.5 1,-0.1 4,-0.3 0.761 105.6 63.8 -27.8 -22.8 -75.6 27.0 -40.0 2146 45 R R H X5S+ 0 0 95 -4,-2.0 4,-4.1 -5,-0.2 5,-0.2 0.911 99.7 37.5 -66.7 -99.4 -73.0 29.8 -40.0 2147 46 R G H X5S+ 0 0 27 -4,-0.7 4,-5.7 3,-0.2 -2,-0.1 0.732 126.1 42.3 -15.2 -79.1 -74.4 32.7 -42.1 2148 47 R F H >5S+ 0 0 43 -4,-0.5 4,-1.1 2,-0.3 5,-0.3 0.851 121.0 36.3 -36.0-102.2 -77.9 32.0 -40.6 2149 48 R V H >5S+ 0 0 6 -4,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.780 122.3 53.3 -16.0 -62.9 -77.0 31.4 -37.0 2150 49 R D H >XX S+ 0 0 6 -4,-1.1 3,-3.6 1,-0.2 4,-1.2 0.868 102.8 55.0 -30.2 -65.6 -79.3 35.6 -36.1 2153 52 R I H XX S+ 0 0 11 -4,-2.7 4,-1.8 -3,-0.5 3,-1.7 0.895 96.1 61.4 -29.4 -82.2 -76.5 36.9 -34.0 2154 53 R H H 3X S+ 0 0 86 -4,-1.0 4,-1.6 1,-0.3 -1,-0.3 0.637 106.5 52.6 -25.3 -20.6 -76.4 40.2 -35.7 2155 54 R L H S- 0 0 59 1,-0.2 4,-2.4 2,-0.1 5,-0.5 -0.870 85.0 -54.6 166.9 163.6 -84.8 44.6 -28.5 2161 60 R L H > S+ 0 0 114 -2,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.759 133.0 35.0 -9.3 -78.5 -88.5 43.9 -28.5 2162 61 R H H >> S+ 0 0 87 2,-0.2 3,-2.3 1,-0.2 4,-1.3 0.945 115.8 50.4 -47.8 -94.9 -88.4 43.2 -32.2 2163 62 R A H >> S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 4,-1.1 0.657 117.3 43.7 -9.5 -68.9 -85.0 41.6 -32.7 2164 63 R R H 3X S+ 0 0 69 -4,-2.4 4,-2.2 1,-0.3 5,-0.5 0.916 106.0 60.4 -50.9 -49.7 -85.8 39.2 -29.9 2165 64 R R H X S+ 0 0 0 -4,-1.1 4,-2.0 1,-0.3 3,-1.0 0.653 120.5 41.5 -8.8 -63.3 -84.5 35.4 -33.2 2168 67 R L H 3X S+ 0 0 60 -4,-2.2 4,-2.6 1,-0.2 -1,-0.3 0.978 97.7 75.5 -53.6 -60.1 -86.9 33.5 -30.9 2169 68 R R H << S+ 0 0 172 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.732 115.4 22.7 -18.5 -44.1 -89.5 33.4 -33.6 2170 69 R D H << S+ 0 0 34 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.887 128.1 42.8 -93.3 -72.0 -87.2 30.7 -35.0 2171 70 R L H < S- 0 0 7 -4,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.849 88.4-157.4 -44.2 -45.8 -85.1 29.3 -32.1 2172 71 R Q < + 0 0 139 -4,-2.6 -3,-0.1 -5,-0.2 4,-0.1 0.964 45.5 100.2 60.7 91.3 -88.1 29.2 -29.8 2173 72 R D - 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0 0 51 38,-0.9 2,-0.3 -2,-0.1 -1,-0.1 0.336 32.4 -93.2-124.2-104.9 -117.3 14.2 -179.9 3085 101 K T - 0 0 74 1,-0.1 4,-0.4 0, 0.0 -1,-0.1 -0.955 21.7-103.5-170.0 179.7 -115.5 13.8 -183.2 3086 102 K R S > S+ 0 0 208 -2,-0.3 4,-0.9 38,-0.1 3,-0.4 0.888 110.0 53.0 -85.1 -47.3 -112.5 14.8 -185.3 3087 103 K K H > S+ 0 0 162 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.658 105.3 53.4 -65.4 -22.4 -114.0 17.4 -187.6 3088 104 K Q H > S+ 0 0 107 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.792 106.4 51.2 -83.9 -30.3 -115.6 19.5 -184.9 3089 105 K I H > S+ 0 0 32 -4,-0.4 4,-0.6 -3,-0.4 -2,-0.2 0.700 104.7 61.4 -76.5 -19.8 -112.3 20.0 -183.0 3090 106 K E H < S+ 0 0 81 -4,-0.9 4,-0.2 1,-0.2 -1,-0.2 0.801 107.1 40.5 -76.0 -33.8 -110.6 21.1 -186.2 3091 107 K E H < S+ 0 0 139 -4,-0.6 3,-0.3 -3,-0.2 4,-0.2 0.696 106.3 60.9 -91.0 -21.5 -112.8 24.1 -186.9 3092 108 K I H X S+ 0 0 89 -4,-1.0 4,-0.6 1,-0.2 3,-0.5 0.729 102.9 53.5 -77.2 -23.6 -113.1 25.5 -183.3 3093 109 K A T < S+ 0 0 0 -4,-0.6 4,-0.4 1,-0.2 -1,-0.2 0.635 93.6 71.8 -84.3 -16.1 -109.3 25.9 -183.1 3094 110 K K T 4 S+ 0 0 127 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.594 104.8 37.7 -75.8 -12.1 -109.2 28.0 -186.3 3095 111 K T T 4 S+ 0 0 116 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.609 105.8 64.8-109.6 -20.3 -110.8 31.0 -184.6 3096 112 K K S >< S+ 0 0 106 -4,-0.6 3,-1.5 1,-0.2 4,-0.5 0.510 72.5 107.7 -80.7 -2.0 -109.1 30.7 -181.2 3097 113 K M G > + 0 0 35 -4,-0.4 3,-0.7 1,-0.3 -1,-0.2 0.710 60.2 69.7 -47.6 -37.6 -105.8 31.4 -183.0 3098 114 K P G 3 S+ 0 0 123 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.843 117.0 22.4 -54.1 -39.4 -105.3 35.0 -181.7 3099 115 K D G < S+ 0 0 161 -3,-1.5 -2,-0.2 2,-0.1 2,-0.2 0.208 109.8 103.7-111.3 12.2 -104.6 33.8 -178.1 3100 116 K L S < S- 0 0 20 -3,-0.7 2,-0.7 -4,-0.5 8,-0.1 -0.499 85.6 -85.7 -94.0 161.1 -103.5 30.3 -179.2 3101 117 K N S S- 0 0 115 6,-0.2 3,-0.2 -2,-0.2 10,-0.1 -0.574 89.3 -29.6 -71.1 111.6 -100.0 28.8 -179.4 3102 118 K A - 0 0 53 -2,-0.7 -2,-0.1 1,-0.2 -3,-0.0 0.244 69.2 -96.0 64.7 166.1 -98.5 29.7 -182.8 3103 119 K N S S+ 0 0 147 -5,-0.0 -1,-0.2 4,-0.0 2,-0.1 0.161 86.0 107.8-101.4 14.9 -100.2 30.3 -186.2 3104 120 K S S S- 0 0 72 -3,-0.2 4,-0.2 1,-0.1 -3,-0.0 -0.301 70.1-128.8 -89.2 173.3 -99.7 26.8 -187.5 3105 121 K L S > S+ 0 0 118 2,-0.1 4,-0.8 3,-0.1 -1,-0.1 0.707 103.7 51.0 -93.8 -26.5 -102.2 23.9 -188.0 3106 122 K E T 4 S+ 0 0 168 2,-0.2 4,-0.5 1,-0.2 3,-0.1 0.829 111.1 47.9 -78.9 -35.4 -100.4 21.1 -186.2 3107 123 K A T > S+ 0 0 33 1,-0.2 4,-0.5 2,-0.2 -6,-0.2 0.682 104.6 62.6 -77.4 -20.0 -99.8 23.2 -183.0 3108 124 K A H > S+ 0 0 1 -4,-0.2 4,-0.7 1,-0.2 3,-0.4 0.844 101.8 48.2 -73.6 -37.5 -103.5 24.3 -183.0 3109 125 K M H < S+ 0 0 37 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.647 102.9 65.5 -77.4 -17.0 -104.9 20.8 -182.5 3110 126 K K H > S+ 0 0 145 -4,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.697 97.2 50.9 -79.2 -24.3 -102.5 20.0 -179.7 3111 127 K I H X S+ 0 0 47 -4,-0.5 4,-1.9 -3,-0.4 3,-0.4 0.830 105.9 55.3 -80.4 -34.9 -103.8 22.6 -177.2 3112 128 K I H < S+ 0 0 25 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.552 105.3 56.2 -72.5 -9.9 -107.4 21.4 -177.6 3113 129 K E H > S+ 0 0 102 -4,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.731 108.0 46.1 -90.7 -29.5 -106.1 17.9 -176.7 3114 130 K G H < S+ 0 0 47 -4,-0.6 4,-0.5 -3,-0.4 -2,-0.2 0.852 114.4 43.8 -81.2 -40.2 -104.6 19.1 -173.4 3115 131 K T T < S+ 0 0 88 -4,-1.9 5,-0.2 2,-0.2 -1,-0.2 0.531 112.2 56.9 -82.3 -6.9 -107.5 21.1 -172.1 3116 132 K A T >>>S+ 0 0 11 -5,-0.2 5,-1.9 2,-0.1 4,-1.2 0.897 108.1 41.8 -87.6 -48.8 -110.0 18.4 -173.1 3117 133 K K T 3<5S+ 0 0 83 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.1 0.558 106.9 63.9 -75.1 -12.2 -108.5 15.4 -171.2 3118 134 K S T 345S+ 0 0 93 -4,-0.5 -1,-0.2 3,-0.1 -2,-0.1 0.520 120.1 22.5 -86.4 -7.5 -107.9 17.7 -168.2 3119 135 K M T <45S- 0 0 60 -3,-1.1 -45,-0.2 -44,-0.1 -2,-0.2 0.617 120.1 -75.5-118.7 -83.0 -111.7 18.0 -168.0 3120 136 K G T <5S+ 0 0 6 -4,-1.2 2,-0.4 -5,-0.2 -39,-0.3 0.164 83.0 113.7 175.1 46.6 -113.8 15.4 -169.7 3121 137 K I < - 0 0 49 -5,-1.9 2,-0.3 -8,-0.1 -38,-0.2 -0.770 42.1-169.3-131.4 85.9 -113.9 15.6 -173.5 3122 138 K E - 0 0 41 -2,-0.4 -38,-0.9 -5,-0.1 2,-0.6 -0.565 17.9-133.7 -79.2 135.9 -112.2 12.5 -175.0 3123 139 K V 0 0 57 -2,-0.3 -40,-0.1 -40,-0.2 -37,-0.1 -0.824 360.0 360.0 -92.2 119.4 -111.5 12.6 -178.8 3124 140 K V 0 0 117 -2,-0.6 -38,-0.1 0, 0.0 -2,-0.0 -0.969 360.0 360.0-126.9 360.0 -112.5 9.4 -180.5