==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 02-AUG-10 3O84 . COMPND 2 MOLECULE: PEPTIDE ARYLATION ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR E.J.DRAKE,B.P.DUCKWORTH,J.NERES,C.C.ALDRICH,A.M.GULICK . 869 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 587 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 42 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.3 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 3 4 4 4 2 4 1 5 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 7 2 6 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 . 4 2 3 4 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 0 2 0 0 1 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 3 A K 0 0 140 0, 0.0 2,-0.2 0, 0.0 76,-0.1 0.000 360.0 360.0 360.0 8.3 -8.6 -14.2 42.3 2 4 A Q - 0 0 160 74,-0.1 2,-0.1 1,-0.1 3,-0.1 -0.525 360.0-124.1 -77.2 139.6 -9.0 -10.9 40.4 3 5 A L - 0 0 54 -2,-0.2 -1,-0.1 1,-0.1 72,-0.0 -0.436 43.8 -78.1 -75.9 153.7 -11.8 -10.4 37.9 4 6 A I - 0 0 16 185,-0.2 185,-0.4 73,-0.1 2,-0.2 -0.273 51.9-120.9 -53.4 131.3 -11.2 -9.5 34.3 5 7 A E + 0 0 140 -3,-0.1 2,-0.3 183,-0.1 393,-0.2 -0.557 43.6 153.5 -79.6 142.2 -10.3 -5.8 33.9 6 8 A F - 0 0 34 -2,-0.2 2,-0.6 391,-0.1 390,-0.1 -0.963 49.2 -87.3-159.6 165.0 -12.5 -3.6 31.7 7 9 A V - 0 0 66 388,-0.4 387,-0.5 -2,-0.3 388,-0.2 -0.744 47.1-144.6 -88.0 121.2 -13.5 0.0 31.3 8 10 A R - 0 0 126 -2,-0.6 2,-0.1 386,-0.1 180,-0.0 -0.415 15.1-108.1 -80.8 154.8 -16.6 0.8 33.4 9 11 A W - 0 0 19 1,-0.1 -1,-0.1 -2,-0.1 385,-0.0 -0.478 50.8 -91.6 -66.2 151.4 -19.5 3.1 32.8 10 12 A S >> - 0 0 39 -2,-0.1 4,-2.4 1,-0.1 3,-0.6 -0.375 37.4-115.1 -62.2 148.1 -19.5 6.3 34.9 11 13 A P H 3> S+ 0 0 96 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.813 114.8 57.8 -60.7 -30.4 -21.5 5.7 38.1 12 14 A E H 3> S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.879 110.1 44.1 -65.2 -38.2 -24.1 8.3 37.2 13 15 A R H <> S+ 0 0 24 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.926 111.7 52.7 -72.6 -44.1 -24.8 6.4 34.0 14 16 A A H X S+ 0 0 12 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.922 110.9 48.0 -54.0 -47.8 -24.9 3.0 35.8 15 17 A Q H X S+ 0 0 119 -4,-2.5 4,-3.2 1,-0.2 3,-0.3 0.942 110.5 51.0 -60.7 -49.2 -27.4 4.4 38.2 16 18 A H H X S+ 0 0 73 -4,-2.0 4,-2.5 1,-0.2 6,-0.2 0.912 109.2 51.0 -53.1 -44.2 -29.6 5.9 35.5 17 19 A Y H <>S+ 0 0 4 -4,-2.7 6,-1.9 1,-0.2 5,-1.7 0.800 112.1 46.6 -70.3 -28.1 -29.6 2.5 33.6 18 20 A R H ><5S+ 0 0 81 -4,-1.7 3,-1.4 -3,-0.3 -2,-0.2 0.918 111.1 52.1 -72.1 -46.6 -30.6 0.8 36.8 19 21 A N H 3<5S+ 0 0 113 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.859 109.0 51.1 -57.2 -36.8 -33.3 3.4 37.5 20 22 A K T 3<5S- 0 0 93 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.633 115.5-116.5 -74.9 -14.2 -34.7 2.9 34.0 21 23 A G T < 5S+ 0 0 38 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.585 85.1 116.1 85.1 11.2 -34.9 -0.9 34.5 22 24 A Y S - 0 0 32 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.310 33.5-108.5 -66.1 159.8 -26.4 -13.0 35.3 28 30 A L T > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.758 115.5 76.9 -61.9 -24.1 -27.0 -14.1 31.6 29 31 A T T >> S+ 0 0 13 1,-0.3 4,-2.3 2,-0.2 3,-0.8 0.663 70.3 87.8 -60.2 -15.7 -27.9 -17.5 33.0 30 32 A R H <> S+ 0 0 29 -3,-2.1 4,-2.5 1,-0.2 5,-0.3 0.846 78.2 64.2 -46.6 -40.0 -31.2 -15.8 34.0 31 33 A I H <> S+ 0 0 4 -3,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.914 109.9 36.0 -54.8 -46.5 -32.4 -16.7 30.5 32 34 A L H <> S+ 0 0 0 -3,-0.8 4,-2.9 -4,-0.3 5,-0.2 0.921 114.4 54.2 -72.9 -49.6 -32.2 -20.5 31.4 33 35 A T H X S+ 0 0 61 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.907 113.2 43.6 -52.7 -46.8 -33.2 -20.3 35.0 34 36 A V H X S+ 0 0 61 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.897 113.5 50.8 -68.2 -41.5 -36.5 -18.5 34.1 35 37 A G H X S+ 0 0 3 -4,-1.4 4,-2.8 -5,-0.3 -2,-0.2 0.896 109.1 51.5 -64.0 -42.2 -37.2 -20.8 31.1 36 38 A V H < S+ 0 0 26 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.854 109.9 49.7 -61.4 -39.7 -36.7 -23.9 33.2 37 39 A Q H < S+ 0 0 151 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.858 120.7 33.8 -68.5 -34.4 -39.2 -22.6 35.9 38 40 A S H < S+ 0 0 86 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.825 139.3 1.4 -94.2 -37.1 -41.9 -21.7 33.4 39 41 A H >< + 0 0 52 -4,-2.8 3,-1.2 -5,-0.2 15,-0.4 -0.394 64.6 167.6-155.1 64.1 -41.7 -24.3 30.6 40 42 A P T 3 S+ 0 0 34 0, 0.0 15,-3.0 0, 0.0 16,-0.4 0.782 79.3 43.9 -57.9 -32.9 -38.9 -26.9 31.3 41 43 A H T 3 S+ 0 0 141 13,-0.2 2,-0.1 12,-0.2 3,-0.1 0.488 86.1 105.0 -97.7 -4.4 -40.0 -29.4 28.6 42 44 A S S < S- 0 0 46 -3,-1.2 12,-1.7 -7,-0.2 2,-0.2 -0.404 85.0 -87.6 -71.9 156.3 -40.7 -27.0 25.7 43 45 A L E +A 53 0A 42 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.469 45.3 168.9 -73.5 129.8 -38.0 -27.0 22.9 44 46 A A E S+ 0 0 0 8,-2.9 213,-3.1 1,-0.3 2,-0.4 0.767 70.4 19.0-101.3 -43.8 -35.0 -24.6 23.3 45 47 A I E -Ab 52 257A 1 7,-2.3 7,-3.1 211,-0.2 2,-0.5 -0.996 54.9-166.4-136.4 130.4 -32.7 -25.9 20.5 46 48 A I E +Ab 51 258A 3 211,-3.3 213,-2.9 -2,-0.4 2,-0.3 -0.976 18.0 170.9-108.7 125.9 -33.4 -28.0 17.4 47 49 A C E > -A 50 0A 11 3,-1.9 3,-2.7 -2,-0.5 2,-0.3 -0.869 59.6 -58.9-142.1 105.0 -30.1 -29.2 15.9 48 50 A G T 3 S- 0 0 47 211,-0.4 -1,-0.1 -2,-0.3 211,-0.0 -0.467 124.6 -13.2 58.5-119.7 -30.3 -31.8 13.1 49 51 A E T 3 S+ 0 0 148 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.457 118.7 102.1 -84.8 -4.5 -32.1 -34.7 14.6 50 52 A R E < -A 47 0A 100 -3,-2.7 -3,-1.9 2,-0.0 2,-0.4 -0.561 48.9-168.0 -92.9 148.0 -31.8 -33.4 18.2 51 53 A Q E -A 46 0A 126 -2,-0.2 2,-0.6 -5,-0.2 -5,-0.2 -0.944 8.0-169.5-132.3 106.7 -34.4 -31.6 20.3 52 54 A L E -A 45 0A 20 -7,-3.1 -8,-2.9 -2,-0.4 -7,-2.3 -0.903 9.7-152.8-101.7 116.7 -33.0 -30.0 23.5 53 55 A S E > -A 43 0A 9 -2,-0.6 4,-2.5 -10,-0.3 -10,-0.2 -0.240 32.1-101.4 -74.2 170.1 -35.6 -28.8 26.0 54 56 A Y H > S+ 0 0 0 -12,-1.7 4,-2.3 -15,-0.4 -18,-0.2 0.916 124.0 49.1 -58.5 -43.3 -35.0 -25.9 28.4 55 57 A I H > S+ 0 0 38 -15,-3.0 4,-3.1 2,-0.2 -1,-0.2 0.862 110.9 50.0 -69.6 -33.2 -34.4 -28.3 31.3 56 58 A E H > S+ 0 0 75 -16,-0.4 4,-2.9 2,-0.2 5,-0.3 0.926 109.7 50.0 -68.4 -45.8 -32.0 -30.3 29.2 57 59 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.923 115.1 45.9 -54.6 -43.6 -30.0 -27.2 28.2 58 60 A D H X S+ 0 0 34 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.960 114.2 46.4 -65.2 -50.7 -30.0 -26.3 31.9 59 61 A R H X S+ 0 0 130 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.919 115.2 46.0 -58.6 -46.7 -29.0 -29.8 33.1 60 62 A L H X S+ 0 0 39 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.853 112.8 47.9 -69.3 -38.8 -26.2 -30.2 30.5 61 63 A S H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.872 112.3 51.3 -70.2 -35.3 -24.7 -26.8 31.0 62 64 A T H X S+ 0 0 47 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.943 106.9 55.2 -60.3 -46.8 -24.7 -27.4 34.7 63 65 A N H X S+ 0 0 24 -4,-2.6 4,-1.5 1,-0.2 112,-0.3 0.929 110.7 43.3 -51.4 -52.8 -23.0 -30.7 34.2 64 66 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.883 111.6 54.9 -62.6 -40.9 -20.1 -29.1 32.3 65 67 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.3 0.938 105.9 52.1 -56.9 -48.2 -19.9 -26.2 34.9 66 68 A T H X S+ 0 0 28 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.859 110.2 49.2 -57.5 -36.4 -19.5 -28.7 37.8 67 69 A R H X S+ 0 0 52 -4,-1.5 4,-0.9 103,-0.2 -1,-0.2 0.808 111.3 48.0 -75.3 -30.2 -16.6 -30.4 35.9 68 70 A L H <>S+ 0 0 0 -4,-1.8 5,-2.6 -3,-0.3 -2,-0.2 0.896 112.9 48.4 -73.4 -41.3 -14.8 -27.2 35.2 69 71 A A H ><5S+ 0 0 6 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.910 106.8 56.9 -62.4 -43.0 -15.3 -26.1 38.8 70 72 A E H 3<5S+ 0 0 51 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.815 105.9 51.7 -58.4 -32.2 -13.9 -29.5 40.0 71 73 A K T 3<5S- 0 0 115 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.320 124.3-105.6 -86.9 8.0 -10.8 -28.7 37.9 72 74 A G T < 5S+ 0 0 58 -3,-2.2 2,-0.6 1,-0.3 -3,-0.2 0.709 73.2 141.5 77.1 19.9 -10.4 -25.3 39.6 73 75 A L < + 0 0 3 -5,-2.6 -1,-0.3 -6,-0.1 2,-0.2 -0.860 29.8 99.7 -94.4 123.6 -11.6 -23.3 36.7 74 76 A G > + 0 0 16 -2,-0.6 3,-2.6 1,-0.2 28,-0.3 -0.749 60.5 13.9-166.2-147.4 -13.6 -20.3 37.8 75 77 A K T 3 S+ 0 0 80 1,-0.3 -1,-0.2 24,-0.3 26,-0.1 -0.203 122.6 24.5 -54.7 130.7 -13.8 -16.6 38.5 76 78 A G T 3 S+ 0 0 25 24,-0.5 -1,-0.3 1,-0.4 2,-0.2 0.176 102.8 104.2 95.4 -16.2 -10.7 -14.8 37.2 77 79 A D < - 0 0 23 -3,-2.6 25,-1.8 23,-0.3 -1,-0.4 -0.594 55.2-150.4 -95.0 161.4 -10.1 -17.5 34.5 78 80 A T E -i 102 0B 6 45,-0.3 47,-1.5 23,-0.2 48,-1.0 -0.833 4.3-157.4-124.9 165.6 -10.8 -17.2 30.8 79 81 A A E -ij 103 126B 0 23,-1.9 25,-2.5 -2,-0.3 2,-0.5 -0.989 10.3-145.4-141.9 146.0 -11.6 -19.7 28.0 80 82 A L E -ij 104 127B 0 46,-2.4 48,-2.3 -2,-0.3 2,-0.4 -0.978 22.7-173.6-112.1 125.7 -11.3 -19.8 24.2 81 83 A V E +ij 105 128B 0 23,-2.8 25,-3.1 -2,-0.5 2,-0.3 -0.965 13.9 175.5-122.7 134.1 -14.1 -21.6 22.4 82 84 A Q + 0 0 2 46,-2.7 48,-0.2 -2,-0.4 25,-0.1 -0.833 21.0 148.3-137.7 101.4 -14.4 -22.5 18.7 83 85 A L - 0 0 1 23,-0.5 25,-0.3 -2,-0.3 153,-0.1 -0.938 39.9-119.3-131.8 153.2 -17.4 -24.6 17.7 84 86 A P - 0 0 24 0, 0.0 2,-2.4 0, 0.0 5,-0.2 -0.060 58.2 -63.0 -80.2-171.2 -19.6 -24.8 14.6 85 87 A N S S+ 0 0 17 176,-0.3 2,-0.3 148,-0.1 147,-0.1 -0.431 92.8 121.4 -76.6 72.1 -23.4 -24.1 14.5 86 88 A V S >> S- 0 0 32 -2,-2.4 3,-1.9 173,-0.1 4,-0.6 -0.883 78.0-103.0-132.8 161.5 -24.4 -26.9 16.8 87 89 A A H >> S+ 0 0 2 -2,-0.3 4,-1.8 1,-0.3 3,-0.8 0.786 113.8 69.4 -53.9 -34.1 -26.3 -27.3 20.1 88 90 A E H 3> S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.739 87.1 66.7 -58.7 -29.4 -23.0 -27.8 22.0 89 91 A F H <> S+ 0 0 2 -3,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.930 106.9 39.7 -55.2 -46.9 -22.1 -24.1 21.3 90 92 A Y H S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-1.0 0.884 111.9 51.9 -69.8 -38.9 -19.0 -21.0 31.2 97 99 A L H <5S+ 0 0 4 -4,-2.1 3,-0.3 -5,-0.2 87,-0.3 0.900 112.7 47.1 -57.9 -42.7 -21.5 -18.3 32.2 98 100 A K H <5S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.881 112.5 48.8 -65.4 -39.6 -22.5 -20.6 35.1 99 101 A A H <5S- 0 0 0 -4,-2.1 83,-0.4 -5,-0.1 -24,-0.3 0.593 111.6-117.6 -80.3 -12.7 -18.9 -21.3 36.1 100 102 A G T <5 + 0 0 2 -4,-1.0 2,-0.6 -3,-0.3 -24,-0.5 0.718 65.2 145.1 79.9 23.0 -17.9 -17.6 36.1 101 103 A V < - 0 0 2 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.856 50.4-131.0 -96.9 121.4 -15.4 -18.2 33.3 102 104 A V E -i 78 0B 4 -25,-1.8 -23,-1.9 -2,-0.6 2,-0.4 -0.609 31.7-155.8 -74.4 117.1 -15.0 -15.3 30.9 103 105 A V E -ik 79 191B 0 87,-0.9 89,-3.0 -2,-0.6 2,-0.6 -0.760 20.8-160.0-105.8 140.0 -15.3 -16.8 27.4 104 106 A L E -ik 80 192B 0 -25,-2.5 -23,-2.8 -2,-0.4 2,-0.8 -0.985 15.7-153.8-107.6 117.6 -14.1 -15.7 24.0 105 107 A N E -i 81 0B 8 87,-0.8 2,-0.2 -2,-0.6 -23,-0.2 -0.867 10.8-155.5 -90.5 109.2 -16.1 -17.4 21.2 106 108 A A - 0 0 1 -25,-3.1 -23,-0.5 -2,-0.8 2,-0.2 -0.558 26.4-103.6 -73.7 149.1 -13.9 -17.5 18.1 107 109 A L > - 0 0 38 -2,-0.2 3,-1.8 1,-0.1 -1,-0.1 -0.541 24.4-125.0 -66.3 140.3 -15.7 -17.8 14.8 108 110 A Y T 3 S+ 0 0 70 -25,-0.3 -1,-0.1 1,-0.3 -26,-0.0 0.764 112.7 60.3 -56.5 -26.9 -15.5 -21.3 13.4 109 111 A S T 3 S+ 0 0 92 24,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.576 82.4 106.9 -78.8 -11.9 -14.0 -19.7 10.3 110 112 A H < - 0 0 15 -3,-1.8 2,-0.1 1,-0.1 -4,-0.0 -0.371 56.9-154.8 -67.2 150.9 -11.0 -18.3 12.3 111 113 A R > - 0 0 123 23,-0.1 4,-2.5 -2,-0.1 3,-0.3 -0.444 37.0 -71.2-119.0-172.1 -7.7 -19.9 11.8 112 114 A Q H > S+ 0 0 69 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.852 126.1 56.7 -52.7 -39.9 -4.3 -20.5 13.7 113 115 A Y H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.935 112.0 38.5 -60.1 -52.0 -3.4 -16.9 13.3 114 116 A E H > S+ 0 0 51 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.927 116.9 51.8 -61.9 -47.6 -6.5 -15.4 15.0 115 117 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.905 109.2 50.2 -59.4 -44.7 -6.6 -18.2 17.6 116 118 A N H X S+ 0 0 42 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.907 111.2 49.2 -55.8 -47.3 -2.9 -17.6 18.5 117 119 A A H X S+ 0 0 16 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.908 111.1 49.3 -61.1 -44.4 -3.7 -13.9 18.9 118 120 A F H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 5,-0.3 0.894 109.3 53.0 -61.4 -41.5 -6.7 -14.6 21.1 119 121 A I H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.928 107.5 50.4 -62.3 -45.0 -4.6 -16.9 23.3 120 122 A K H < S+ 0 0 122 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.866 112.8 47.5 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