==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-AUG-10 3OFV . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.LAM,T.E.MCGRATH,V.ROMANOV,S.A.GOTHE,S.R.PEDDI,E.RAZUMOVA, . 581 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 4 0.7 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 . 1 0.2 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 . 30 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 3 0 0 0 3 1 5 3 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 3 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 PARALLEL BRIDGES PER LADDER . 0 0 3 0 3 0 0 3 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 . 0 0 0 0 0 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 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 1 A T 0 0 128 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.7 -11.7 -41.4 52.7 2 2 A I + 0 0 22 1,-0.1 86,-0.2 81,-0.0 3,-0.1 -0.864 360.0 166.8-113.3 125.9 -8.9 -39.1 54.0 3 3 A K S S+ 0 0 62 84,-1.9 56,-2.1 -2,-0.5 2,-0.3 0.645 71.2 33.0-107.4 -20.1 -5.6 -40.3 55.6 4 4 A L E -ab 59 88A 0 83,-1.7 85,-2.7 54,-0.2 2,-0.5 -0.981 57.9-163.8-144.5 128.6 -3.5 -37.1 55.5 5 5 A I E -ab 60 89A 1 54,-3.0 56,-2.5 -2,-0.3 2,-0.5 -0.954 13.0-164.5-113.8 120.2 -4.4 -33.4 55.8 6 6 A V E -ab 61 90A 0 83,-2.9 85,-3.1 -2,-0.5 2,-0.6 -0.905 7.6-159.6-112.1 129.8 -1.7 -30.9 54.7 7 7 A G E - b 0 91A 0 54,-2.8 2,-0.2 -2,-0.5 85,-0.2 -0.932 21.8-135.4-111.8 110.9 -1.8 -27.3 55.6 8 8 A L + 0 0 0 83,-2.5 16,-1.2 -2,-0.6 15,-0.7 -0.441 43.5 121.3 -76.6 133.5 0.3 -25.2 53.2 9 9 A A - 0 0 2 54,-0.2 57,-0.5 -2,-0.2 56,-0.2 -0.986 55.9-101.6-169.7 172.4 2.6 -22.5 54.5 10 10 A N - 0 0 2 -2,-0.3 5,-0.1 56,-0.2 54,-0.1 -0.928 41.9-123.7-106.3 135.1 6.1 -21.0 54.9 11 11 A P + 0 0 31 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.367 61.3 66.2 -73.6 155.8 7.8 -21.5 58.3 12 12 A G S >> S- 0 0 34 414,-0.2 4,-2.2 2,-0.1 3,-1.1 -0.079 83.9 -94.4 116.7 150.7 9.0 -18.6 60.5 13 13 A A T 34 S+ 0 0 24 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.846 120.0 69.7 -61.9 -33.7 7.9 -15.7 62.6 14 14 A E T 34 S+ 0 0 68 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.807 115.9 17.4 -47.2 -39.0 8.5 -13.8 59.4 15 15 A Y T X4 S+ 0 0 1 -3,-1.1 3,-3.1 -5,-0.1 6,-0.3 0.586 91.6 105.2-117.2 -19.0 5.5 -15.4 57.6 16 16 A A T 3< S+ 0 0 50 -4,-2.2 -2,-0.1 1,-0.3 -3,-0.1 0.735 89.4 40.7 -38.2 -36.0 3.4 -16.9 60.4 17 17 A A T 3 S+ 0 0 44 -4,-0.5 -1,-0.3 133,-0.1 -2,-0.1 0.460 94.0 109.4 -96.9 -4.2 0.8 -14.1 60.0 18 18 A T S X S- 0 0 9 -3,-3.1 3,-1.5 134,-0.2 134,-0.2 -0.197 80.0-109.0 -81.7 165.8 0.6 -13.8 56.2 19 19 A R G > S+ 0 0 15 132,-2.1 3,-1.1 129,-0.4 131,-0.2 0.734 112.7 65.1 -65.9 -22.8 -2.1 -14.8 53.8 20 20 A H G > S+ 0 0 3 129,-1.7 3,-0.6 1,-0.2 73,-0.3 0.700 92.3 63.5 -73.9 -18.0 0.0 -17.7 52.4 21 21 A N G <> + 0 0 11 -3,-1.5 4,-2.5 -6,-0.3 -1,-0.2 0.432 66.7 110.7 -87.5 8.0 -0.2 -19.5 55.7 22 22 A A H <> S+ 0 0 0 -3,-1.1 4,-1.5 1,-0.2 -1,-0.2 0.848 75.3 53.8 -49.0 -43.5 -3.9 -19.9 55.5 23 23 A G H X> S+ 0 0 0 -15,-0.7 4,-2.2 -3,-0.6 3,-0.7 0.955 109.1 47.7 -57.1 -52.9 -3.6 -23.6 55.1 24 24 A A H 3> S+ 0 0 3 -16,-1.2 4,-3.3 1,-0.3 5,-0.3 0.922 105.2 60.4 -53.5 -46.5 -1.5 -23.9 58.2 25 25 A W H 3X S+ 0 0 44 -4,-2.5 4,-1.6 -17,-0.2 -1,-0.3 0.880 108.2 45.3 -45.6 -42.9 -4.0 -21.8 60.1 26 26 A F H S+ 0 0 1 -4,-3.4 5,-2.5 1,-0.2 4,-0.2 0.860 111.8 45.1 -52.1 -46.5 -4.7 -30.0 65.6 32 32 A E H ><5S+ 0 0 136 -4,-2.3 3,-1.3 3,-0.2 -1,-0.2 0.947 113.5 48.6 -68.2 -47.3 -5.4 -27.9 68.6 33 33 A R H 3<5S+ 0 0 67 -4,-2.6 181,-0.2 1,-0.3 -2,-0.2 0.791 114.1 47.4 -61.7 -33.3 -9.1 -28.8 68.8 34 34 A L T 3<5S- 0 0 15 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.371 114.9-121.8 -89.9 3.4 -8.2 -32.5 68.4 35 35 A R T < 5S+ 0 0 60 -3,-1.3 207,-0.3 -4,-0.2 -3,-0.2 0.809 81.4 104.6 64.0 36.0 -5.5 -32.1 71.1 36 36 A A < - 0 0 18 -5,-2.5 -4,-0.1 -6,-0.2 -1,-0.1 -0.629 53.7-164.1-140.2 85.9 -2.5 -33.2 69.1 37 37 A P - 0 0 44 0, 0.0 2,-0.2 0, 0.0 13,-0.1 -0.389 32.9 -95.7 -69.2 145.7 -0.5 -30.1 68.1 38 38 A L - 0 0 3 9,-0.1 2,-0.3 11,-0.1 11,-0.2 -0.412 41.7-170.0 -62.5 123.5 2.1 -30.5 65.4 39 39 A R E -C 48 0A 87 9,-2.3 9,-2.5 -2,-0.2 390,-0.1 -0.867 36.1 -82.4-109.1 155.7 5.6 -31.2 66.6 40 40 A E E +C 47 0A 89 388,-1.1 7,-0.2 -2,-0.3 2,-0.2 -0.151 42.8 175.1 -50.6 134.9 8.7 -31.2 64.4 41 41 A E E > > -C 46 0A 63 5,-2.3 3,-2.4 1,-0.1 5,-0.9 -0.647 10.5-170.9-146.0 91.6 9.5 -34.3 62.4 42 42 A A G > 5S+ 0 0 70 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.782 78.8 74.9 -57.8 -35.6 12.5 -33.8 60.1 43 43 A K G 3 5S+ 0 0 122 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.694 108.8 32.4 -40.8 -30.8 11.9 -37.2 58.3 44 44 A F G < 5S- 0 0 3 -3,-2.4 -1,-0.3 2,-0.2 33,-0.3 0.278 109.6-117.4-119.1 4.7 9.0 -35.5 56.5 45 45 A F T < 5S+ 0 0 73 -3,-1.6 19,-2.0 -4,-0.3 2,-0.3 0.836 84.0 51.6 64.6 35.0 10.3 -31.9 56.2 46 46 A G E S- D 0 56A 14 3,-2.9 3,-1.7 -2,-0.5 120,-0.0 -0.986 72.7 -11.5-128.6 126.7 -11.0 -39.6 63.4 54 54 A G T 3 S- 0 0 49 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.909 129.4 -59.5 49.1 42.6 -14.0 -42.0 63.1 55 55 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.689 118.4 102.6 63.6 22.2 -11.7 -44.5 64.7 56 56 A E E < S- D 0 53A 117 -3,-1.7 -3,-2.9 2,-0.0 2,-0.3 -0.929 79.4 -94.2-128.6 159.6 -9.0 -44.4 62.0 57 57 A D E - D 0 52A 70 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.534 38.3-178.7 -73.0 126.6 -5.7 -42.7 61.9 58 58 A V E - D 0 51A 1 -7,-2.1 -7,-3.2 -2,-0.3 2,-0.4 -0.997 13.5-150.7-120.8 136.2 -5.6 -39.3 60.3 59 59 A R E -aD 4 50A 60 -56,-2.1 -54,-3.0 -2,-0.4 2,-0.4 -0.875 1.6-151.0-111.0 139.8 -2.3 -37.5 60.0 60 60 A L E +aD 5 49A 1 -11,-2.4 -11,-1.7 -2,-0.4 2,-0.4 -0.862 16.2 179.7-107.3 137.0 -1.6 -33.7 60.0 61 61 A L E +aD 6 48A 0 -56,-2.5 -54,-2.8 -2,-0.4 -13,-0.2 -0.999 19.5 180.0-138.9 139.8 1.3 -32.1 58.2 62 62 A V E - D 0 47A 5 -15,-2.2 -15,-2.9 -2,-0.4 2,-0.1 -0.957 35.1-131.3-128.6 111.3 2.5 -28.5 57.7 63 63 A P E - D 0 46A 1 0, 0.0 3,-0.5 0, 0.0 -17,-0.4 -0.387 13.7-159.4 -68.9 134.7 5.7 -28.5 55.6 64 64 A T S S+ 0 0 48 -19,-2.0 -18,-0.2 1,-0.2 -19,-0.1 -0.046 72.9 96.4 -91.8 33.5 8.7 -26.6 56.8 65 65 A T S S- 0 0 18 -56,-0.2 -1,-0.2 -20,-0.2 -55,-0.1 0.617 94.4-106.5 -94.8 -14.8 10.0 -26.6 53.2 66 66 A F > - 0 0 27 -57,-0.5 3,-3.3 -3,-0.5 4,-0.4 0.342 40.6 -79.8 81.3 140.8 8.7 -23.2 52.1 67 67 A M G > S+ 0 0 0 1,-0.3 3,-1.5 515,-0.2 4,-0.3 0.727 126.7 60.0 -43.4 -47.9 5.8 -22.9 49.8 68 68 A N G 3 S+ 0 0 56 513,-2.7 -1,-0.3 1,-0.3 3,-0.2 0.664 112.9 35.6 -45.9 -35.8 7.8 -23.6 46.7 69 69 A L G X> S+ 0 0 57 -3,-3.3 3,-1.2 512,-0.2 4,-0.6 0.175 72.9 123.4-115.9 11.9 8.9 -27.1 47.8 70 70 A S H X> + 0 0 0 -3,-1.5 4,-1.9 -4,-0.4 3,-0.7 0.856 68.9 68.2 -40.1 -45.4 5.8 -28.2 49.6 71 71 A G H 3> S+ 0 0 1 44,-0.3 4,-3.5 -4,-0.3 5,-0.4 0.886 88.5 63.7 -39.1 -57.5 5.8 -31.2 47.3 72 72 A K H <> S+ 0 0 103 -3,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.847 110.8 36.1 -37.4 -55.9 9.0 -32.6 48.9 73 73 A A H S+ 0 0 3 -4,-2.2 5,-3.2 -5,-0.3 -1,-0.2 0.799 110.7 46.6 -55.4 -34.4 2.5 -40.0 51.7 79 79 A S H <5S+ 0 0 77 -4,-2.0 3,-0.4 -3,-0.3 -1,-0.2 0.829 106.7 57.4 -76.6 -35.0 4.9 -42.7 50.4 80 80 A F H <5S+ 0 0 116 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.866 119.5 30.9 -61.9 -36.7 6.1 -43.6 53.9 81 81 A F T <5S- 0 0 63 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.320 109.6-121.1-105.0 6.4 2.5 -44.5 54.9 82 82 A R T 5 + 0 0 214 -3,-0.4 2,-0.4 1,-0.2 -3,-0.2 0.941 51.5 165.3 45.1 60.0 1.4 -45.5 51.4 83 83 A I < - 0 0 17 -5,-3.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.879 30.7-131.7-101.7 134.0 -1.3 -43.0 51.1 84 84 A N > - 0 0 90 -2,-0.4 3,-2.2 1,-0.1 4,-0.3 -0.519 24.7-109.1 -82.7 153.9 -2.9 -42.2 47.7 85 85 A P G > S+ 0 0 27 0, 0.0 3,-2.0 0, 0.0 45,-0.5 0.867 117.3 58.5 -49.4 -43.3 -3.4 -38.7 46.3 86 86 A D G 3 S+ 0 0 83 1,-0.3 43,-0.1 43,-0.2 -2,-0.0 0.396 102.0 55.8 -73.3 7.0 -7.2 -39.0 46.7 87 87 A E G < S+ 0 0 32 -3,-2.2 -84,-1.9 -85,-0.1 -83,-1.7 0.348 92.2 90.4-112.8 -2.4 -6.7 -39.6 50.4 88 88 A I E < -b 4 0A 0 -3,-2.0 42,-2.5 -4,-0.3 2,-0.5 -0.829 59.4-163.2 -96.8 131.7 -4.7 -36.4 50.8 89 89 A L E -be 5 130A 1 -85,-2.7 -83,-2.9 -2,-0.5 2,-0.6 -0.973 6.8-163.5-114.1 122.9 -6.5 -33.1 51.6 90 90 A V E -be 6 131A 0 40,-3.5 42,-2.1 -2,-0.5 2,-0.4 -0.917 3.4-157.0-117.0 116.1 -4.5 -30.0 51.0 91 91 A A E +be 7 132A 0 -85,-3.1 -83,-2.5 -2,-0.6 2,-0.3 -0.763 25.2 159.6 -94.4 127.5 -5.6 -26.7 52.6 92 92 A H E - e 0 133A 2 40,-2.3 42,-2.8 -2,-0.4 2,-0.1 -0.949 43.9 -95.5-142.9 160.4 -4.4 -23.5 50.8 93 93 A D E - e 0 134A 4 -73,-0.3 2,-0.4 -2,-0.3 42,-0.2 -0.490 39.1-153.3 -73.0 152.7 -5.1 -19.9 50.5 94 94 A E E > - e 0 135A 25 40,-2.4 42,-2.9 3,-0.2 43,-1.2 -0.976 21.1-169.1-137.4 118.5 -7.2 -19.0 47.5 95 95 A L T 3 S+ 0 0 44 -2,-0.4 -1,-0.1 16,-0.2 40,-0.1 0.622 88.6 64.6 -77.2 -16.2 -7.2 -15.7 45.6 96 96 A D T 3 S+ 0 0 122 15,-0.1 -1,-0.2 2,-0.1 42,-0.1 0.640 98.8 54.9 -81.8 -21.2 -10.3 -16.7 43.7 97 97 A L S < S- 0 0 19 -3,-0.5 40,-1.8 40,-0.1 39,-0.7 -0.887 87.1-118.7-112.1 150.8 -12.6 -16.9 46.7 98 98 A P > - 0 0 69 0, 0.0 3,-2.0 0, 0.0 37,-0.3 -0.347 39.9 -77.7 -86.9 165.7 -13.1 -14.0 49.1 99 99 A P T 3 S+ 0 0 30 0, 0.0 37,-0.2 0, 0.0 62,-0.1 -0.354 120.0 34.5 -58.4 139.9 -12.4 -13.7 52.8 100 100 A G T 3 S+ 0 0 31 35,-0.5 2,-0.4 1,-0.3 61,-0.1 0.366 101.6 93.7 95.4 -3.7 -15.1 -15.5 54.7 101 101 A V < + 0 0 52 -3,-2.0 34,-2.3 34,-0.2 2,-0.3 -0.937 45.0 175.2-120.1 144.5 -15.6 -18.2 52.1 102 102 A A E -F 134 0A 32 -2,-0.4 2,-0.3 32,-0.2 32,-0.2 -0.973 6.2-175.0-142.5 148.9 -14.0 -21.7 51.9 103 103 A K E -F 133 0A 114 30,-1.5 30,-3.6 -2,-0.3 2,-0.2 -0.997 18.1-132.9-147.1 144.8 -14.6 -24.5 49.4 104 104 A F E +F 132 0A 94 -2,-0.3 2,-0.3 28,-0.2 28,-0.2 -0.667 27.5 167.7 -95.1 155.8 -13.6 -28.2 48.8 105 105 A K E -F 131 0A 80 26,-1.7 26,-2.9 -2,-0.2 2,-0.4 -0.972 29.1-134.2-157.7 151.7 -12.5 -29.6 45.4 106 106 A L E -F 130 0A 92 -2,-0.3 24,-0.2 24,-0.2 22,-0.1 -0.974 68.7 -39.1-110.7 137.1 -10.9 -32.8 44.1 107 107 A G S S+ 0 0 1 22,-2.0 21,-0.2 -2,-0.4 24,-0.1 0.011 81.5 117.0 52.3-147.2 -8.0 -32.3 41.6 108 108 A G - 0 0 43 -3,-0.0 -1,-0.1 2,-0.0 21,-0.1 -0.285 66.5 -8.9 79.0-168.5 -8.2 -29.6 38.9 109 109 A G - 0 0 51 1,-0.1 7,-0.0 -2,-0.1 8,-0.0 -0.124 48.4-132.6 -68.1 155.8 -6.0 -26.6 38.3 110 110 A H > - 0 0 58 6,-0.0 3,-2.3 2,-0.0 7,-0.3 0.463 33.0-143.0 -84.7 -2.5 -3.3 -25.2 40.6 111 111 A G T 3 - 0 0 61 1,-0.3 -16,-0.2 5,-0.1 3,-0.1 0.755 61.6 -62.4 45.8 33.3 -4.7 -21.7 40.1 112 112 A G T 3 S+ 0 0 47 1,-0.2 2,-0.7 2,-0.1 -1,-0.3 0.300 98.6 137.5 82.4 -10.2 -1.3 -20.1 40.1 113 113 A H <> - 0 0 16 -3,-2.3 4,-2.5 1,-0.2 3,-0.4 -0.603 43.6-156.2 -74.4 111.9 -0.5 -21.3 43.7 114 114 A N H > S+ 0 0 44 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.764 88.9 61.6 -60.7 -30.9 3.1 -22.5 43.7 115 115 A G H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -44,-0.3 0.933 110.6 41.4 -60.5 -47.0 2.6 -24.8 46.7 116 116 A L H > S+ 0 0 2 -3,-0.4 4,-2.8 -6,-0.2 5,-0.3 0.951 109.2 59.3 -64.5 -49.8 0.0 -26.7 44.8 117 117 A K H X S+ 0 0 116 -4,-2.5 4,-2.1 -7,-0.3 -2,-0.2 0.921 109.0 44.7 -42.7 -54.0 2.1 -26.6 41.6 118 118 A D H X S+ 0 0 21 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.856 110.3 53.9 -64.8 -36.7 5.0 -28.4 43.4 119 119 A I H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 7,-0.3 0.903 107.6 50.4 -65.2 -42.3 2.7 -31.0 45.0 120 120 A I H <>S+ 0 0 20 -4,-2.8 6,-1.6 2,-0.2 5,-1.1 0.962 115.4 45.0 -54.3 -51.0 1.2 -32.0 41.7 121 121 A S H >X5S+ 0 0 63 -4,-2.1 4,-1.4 -5,-0.3 3,-1.0 0.958 114.4 45.0 -60.6 -54.6 4.8 -32.4 40.3 122 122 A K H 3<5S+ 0 0 87 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.687 100.1 69.4 -72.3 -17.7 6.2 -34.2 43.3 123 123 A L T 3<5S- 0 0 28 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 0.009 133.9 -85.2 -85.5 31.0 3.2 -36.6 43.5 124 124 A G T <45S- 0 0 70 -3,-1.0 -2,-0.2 1,-0.2 -3,-0.2 0.834 82.8 -59.3 70.4 33.0 4.4 -38.1 40.2 125 125 A N S < S+ 0 0 139 1,-0.1 3,-0.7 2,-0.1 4,-0.3 0.935 90.2 53.3 -91.9 -54.3 1.3 -6.8 40.3 144 144 A K T 3> S+ 0 0 50 -3,-0.5 4,-1.6 1,-0.2 -1,-0.1 0.337 83.9 105.5 -65.5 11.0 0.7 -6.2 44.0 145 145 A V H 3> S+ 0 0 23 -4,-0.2 4,-2.8 2,-0.2 5,-0.3 0.883 72.0 48.1 -65.4 -49.9 0.1 -10.1 44.3 146 146 A V H <> S+ 0 0 65 -3,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.952 115.0 46.5 -60.9 -48.5 3.3 -11.3 46.0 147 147 A G H 4 S+ 0 0 56 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.815 112.1 54.4 -58.5 -33.1 3.1 -8.5 48.6 148 148 A F H >< S+ 0 0 29 -4,-1.6 3,-1.2 2,-0.2 -129,-0.4 0.942 112.9 37.7 -69.4 -51.3 -0.5 -9.4 49.1 149 149 A V H 3< S+ 0 0 2 -4,-2.8 -129,-1.7 1,-0.3 -128,-0.3 0.845 120.2 48.8 -70.8 -29.6 -0.1 -13.2 49.7 150 150 A L T 3< S+ 0 0 19 -4,-2.5 2,-0.3 -5,-0.3 -1,-0.3 0.203 102.4 93.0 -92.5 15.9 3.1 -12.4 51.7 151 151 A G S < S- 0 0 16 -3,-1.2 -132,-2.1 -5,-0.1 -131,-0.1 -0.755 80.1-115.1-108.4 154.8 1.2 -9.8 53.6 152 152 A K - 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