==== 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 HYDROLASE 16-MAR-96 1LBU . COMPND 2 MOLECULE: MURAMOYL-PENTAPEPTIDE CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ALBUS; . AUTHOR P.CHARLIER,J.-P.WERY,O.DIDEBERG,J.-M.FRERE . 213 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 8.9 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.9 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 . 12 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 0 0 2 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 D 0 0 150 0, 0.0 4,-0.1 0, 0.0 78,-0.0 0.000 360.0 360.0 360.0 103.3 58.3 31.2 54.7 2 2 A G + 0 0 68 2,-0.2 3,-0.1 76,-0.0 77,-0.1 0.803 360.0 50.5-127.7 -59.6 55.2 29.5 53.3 3 3 A a S S- 0 0 30 1,-0.2 2,-0.3 75,-0.2 76,-0.1 0.992 115.0 -29.7 -53.7 -69.2 54.4 27.3 50.3 4 4 A Y - 0 0 59 2,-0.0 2,-0.4 70,-0.0 -1,-0.2 -0.982 51.4-153.6-155.2 144.6 57.1 24.6 50.7 5 5 A T - 0 0 95 -2,-0.3 2,-0.3 -3,-0.1 65,-0.0 -0.996 17.6-136.4-125.6 127.5 60.6 24.4 52.2 6 6 A W - 0 0 14 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.704 9.5-157.8 -83.2 136.7 63.1 21.8 51.0 7 7 A S - 0 0 125 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.723 63.7 -15.9 -86.0 -27.2 65.0 20.2 53.9 8 8 A G S S- 0 0 41 58,-0.1 -1,-0.2 57,-0.1 57,-0.0 -0.978 86.2 -52.1-166.9 171.6 68.1 19.0 52.0 9 9 A T - 0 0 82 -2,-0.3 2,-0.4 -3,-0.1 57,-0.2 -0.027 42.9-153.6 -52.8 146.1 69.8 18.2 48.7 10 10 A L B +A 65 0A 17 55,-2.0 55,-2.4 4,-0.1 2,-0.3 -0.983 22.6 153.9-127.2 136.7 68.2 15.9 46.1 11 11 A S > - 0 0 51 -2,-0.4 3,-2.5 53,-0.2 31,-0.2 -0.863 55.5 -45.5-150.8 174.7 69.9 13.9 43.5 12 12 A E T 3 S+ 0 0 95 -2,-0.3 31,-0.2 1,-0.3 3,-0.1 -0.267 124.4 37.2 -48.0 130.7 69.2 10.7 41.5 13 13 A G T 3 S+ 0 0 73 29,-2.5 -1,-0.3 1,-0.5 30,-0.1 0.005 88.3 122.5 108.4 -19.4 67.9 7.9 43.7 14 14 A S < + 0 0 33 -3,-2.5 28,-3.0 28,-0.2 -1,-0.5 -0.397 35.4 175.1 -72.7 154.2 65.9 10.3 45.8 15 15 A S B +B 41 0B 74 26,-0.2 2,-0.3 -3,-0.1 26,-0.2 -0.974 24.4 76.6-156.4 149.7 62.1 9.8 46.1 16 16 A G S >> S- 0 0 39 24,-2.0 4,-2.1 -2,-0.3 3,-0.6 -0.791 89.9 -55.1 136.0 179.5 59.3 11.4 48.1 17 17 A E H 3> S+ 0 0 92 1,-0.3 4,-3.2 -2,-0.3 5,-0.2 0.775 129.0 62.0 -62.2 -33.8 57.1 14.5 48.1 18 18 A A H 3> S+ 0 0 24 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.827 108.0 44.3 -61.4 -37.1 60.2 16.7 48.1 19 19 A V H <> S+ 0 0 1 -3,-0.6 4,-2.4 21,-0.2 -2,-0.2 0.919 111.7 51.3 -74.7 -42.8 60.9 15.1 44.8 20 20 A R H X S+ 0 0 95 -4,-2.1 4,-1.7 20,-0.2 -2,-0.2 0.914 111.2 49.4 -56.1 -46.9 57.4 15.4 43.5 21 21 A Q H X S+ 0 0 21 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.907 111.0 48.7 -62.1 -41.7 57.3 19.2 44.5 22 22 A L H X S+ 0 0 0 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.883 106.0 58.0 -67.8 -38.8 60.7 19.9 42.7 23 23 A Q H < S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.880 103.9 52.7 -59.8 -39.3 59.5 18.1 39.6 24 24 A I H >< S+ 0 0 7 -4,-1.7 3,-1.0 1,-0.2 4,-0.3 0.918 108.0 51.4 -57.3 -46.3 56.5 20.6 39.4 25 25 A R H 3< S+ 0 0 4 -4,-1.5 3,-0.3 1,-0.3 -1,-0.2 0.842 118.7 35.9 -61.8 -35.5 58.9 23.5 39.6 26 26 A V T >< S+ 0 0 0 -4,-1.6 3,-2.4 1,-0.2 -1,-0.3 0.236 80.8 110.1-104.6 13.0 61.1 22.3 36.8 27 27 A A T < S+ 0 0 2 -3,-1.0 9,-0.4 -4,-0.4 -1,-0.2 0.770 70.8 68.0 -60.4 -20.2 58.3 20.8 34.7 28 28 A G T 3 S+ 0 0 0 -3,-0.3 -1,-0.3 -4,-0.3 3,-0.1 0.454 94.4 60.6 -77.5 0.9 59.0 23.6 32.2 29 29 A Y < + 0 0 21 -3,-2.4 -1,-0.2 1,-0.1 23,-0.2 -0.336 57.5 124.4-125.0 52.0 62.4 22.1 31.3 30 30 A P S S- 0 0 15 0, 0.0 5,-0.2 0, 0.0 149,-0.1 0.555 75.8-100.8 -87.1 -8.2 61.8 18.5 29.9 31 31 A G > - 0 0 15 147,-0.6 3,-1.5 3,-0.1 149,-0.3 -0.109 60.7 -45.0 100.5 156.8 63.7 18.9 26.6 32 32 A T T 3 S+ 0 0 102 1,-0.3 146,-0.2 -2,-0.1 3,-0.1 -0.362 127.5 1.1 -57.7 132.7 62.1 19.6 23.2 33 33 A G T 3 S+ 0 0 22 144,-2.5 2,-0.3 1,-0.2 -1,-0.3 0.683 110.5 106.4 61.5 26.9 59.0 17.4 22.5 34 34 A A < - 0 0 45 -3,-1.5 2,-0.4 143,-0.3 146,-0.3 -0.795 55.4-146.9-128.0 167.2 59.2 15.6 25.9 35 35 A Q - 0 0 69 -2,-0.3 2,-0.3 -5,-0.2 -7,-0.1 -0.987 18.6-127.0-137.8 126.1 57.2 15.7 29.1 36 36 A L - 0 0 18 -9,-0.4 2,-0.4 -2,-0.4 -5,-0.0 -0.568 24.5-129.0 -77.2 136.6 58.5 15.2 32.7 37 37 A A - 0 0 61 -2,-0.3 2,-1.2 4,-0.1 3,-0.2 -0.747 10.5-143.9 -81.5 130.7 56.6 12.6 34.7 38 38 A I + 0 0 59 -2,-0.4 -18,-0.1 1,-0.2 -1,-0.1 -0.761 55.4 128.8 -97.8 84.2 55.6 13.9 38.1 39 39 A D S S- 0 0 91 -2,-1.2 -1,-0.2 2,-0.2 -19,-0.1 0.331 74.3-113.7-118.6 3.4 56.1 10.7 40.0 40 40 A G S S+ 0 0 6 1,-0.2 -24,-2.0 -21,-0.2 2,-0.6 0.568 79.9 118.0 74.7 7.6 58.2 11.6 43.0 41 41 A Q B -B 15 0B 118 -26,-0.2 2,-1.2 -4,-0.2 -26,-0.2 -0.944 60.2-142.1-112.7 121.0 61.2 9.5 41.8 42 42 A F + 0 0 5 -28,-3.0 -29,-2.5 -2,-0.6 -28,-0.2 -0.683 42.1 150.5 -81.8 96.5 64.4 11.4 41.0 43 43 A G >> - 0 0 24 -2,-1.2 4,-2.0 -31,-0.2 3,-0.7 -0.395 64.1 -73.4-113.6-169.2 65.8 9.6 37.9 44 44 A P H 3> S+ 0 0 99 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.713 128.9 56.9 -60.0 -29.7 67.9 10.8 34.9 45 45 A A H 3> S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.834 108.7 48.3 -74.1 -28.8 65.0 12.7 33.3 46 46 A T H <> S+ 0 0 5 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.855 108.9 52.2 -73.3 -42.7 64.7 14.7 36.6 47 47 A K H X S+ 0 0 59 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.928 110.0 50.2 -61.3 -44.0 68.5 15.4 36.8 48 48 A A H X S+ 0 0 26 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.902 110.0 49.7 -59.9 -45.6 68.3 16.7 33.1 49 49 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.870 110.6 49.6 -61.0 -42.7 65.4 19.0 33.9 50 50 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.899 108.7 53.2 -61.9 -41.8 67.2 20.4 37.0 51 51 A Q H X S+ 0 0 65 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.918 108.9 49.5 -59.0 -42.0 70.3 21.0 35.0 52 52 A R H X S+ 0 0 99 -4,-2.0 4,-1.7 -23,-0.2 -1,-0.2 0.860 111.3 49.0 -64.6 -39.9 68.3 23.0 32.4 53 53 A F H X S+ 0 0 3 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.898 110.6 50.3 -64.4 -47.2 66.7 25.1 35.1 54 54 A Q H ><>S+ 0 0 1 -4,-2.6 5,-2.6 1,-0.2 3,-1.0 0.955 112.0 48.4 -57.3 -48.9 70.1 25.8 36.7 55 55 A S H ><5S+ 0 0 82 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.818 104.8 58.9 -59.0 -39.7 71.5 26.9 33.3 56 56 A A H 3<5S+ 0 0 36 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.699 113.2 38.0 -65.1 -25.1 68.5 29.2 32.5 57 57 A Y T <<5S- 0 0 43 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.184 118.0-104.0-113.9 18.4 69.1 31.3 35.7 58 58 A G T < 5S+ 0 0 71 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.855 73.5 137.7 62.0 41.4 72.9 31.3 35.6 59 59 A L S - 0 0 11 -2,-1.2 4,-2.2 -57,-0.2 3,-0.3 -0.274 61.6 -71.0-109.0-165.7 71.1 21.9 46.6 67 67 A P H > S+ 0 0 88 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.720 129.0 51.1 -66.0 -24.7 70.4 25.1 48.6 68 68 A A H > S+ 0 0 61 2,-0.2 4,-1.3 3,-0.1 5,-0.1 0.796 109.2 51.9 -81.0 -28.2 71.2 27.6 45.7 69 69 A T H > S+ 0 0 7 -3,-0.3 4,-2.0 2,-0.2 5,-0.2 0.906 112.8 45.6 -72.7 -43.2 68.8 25.7 43.5 70 70 A F H X S+ 0 0 8 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.903 107.7 57.0 -69.5 -35.1 66.2 26.0 46.2 71 71 A N H X S+ 0 0 97 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.851 107.6 49.4 -62.3 -34.0 66.9 29.8 46.8 72 72 A K H >X S+ 0 0 47 -4,-1.3 4,-1.4 2,-0.2 3,-1.0 0.956 110.9 48.3 -72.9 -47.9 66.2 30.5 43.1 73 73 A I H >X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.3 3,-0.7 0.927 107.8 56.7 -55.0 -43.4 62.9 28.6 43.3 74 74 A Y H 3< S+ 0 0 75 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.817 104.3 52.9 -58.2 -32.0 62.1 30.6 46.4 75 75 A Q H << S+ 0 0 132 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.719 113.7 42.3 -73.6 -23.7 62.6 33.8 44.4 76 76 A L H << S+ 0 0 13 -4,-1.4 8,-2.1 -3,-0.7 2,-0.4 0.522 98.6 93.6 -96.3 -9.6 60.1 32.5 41.8 77 77 A Q B < -C 83 0C 26 -4,-1.2 2,-0.2 6,-0.2 5,-0.1 -0.762 59.0-153.8 -96.0 131.9 57.6 31.2 44.2 78 78 A D > - 0 0 47 4,-3.3 3,-2.4 -2,-0.4 -75,-0.2 -0.460 38.5 -95.5 -92.7 166.1 54.6 33.1 45.6 79 79 A D T 3 S+ 0 0 123 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.825 125.4 50.8 -46.5 -45.9 52.9 32.4 48.9 80 80 A D T 3 S- 0 0 65 2,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.247 121.4-105.1 -83.6 8.8 50.3 30.1 47.4 81 81 A a S < S+ 0 0 29 -3,-2.4 -2,-0.1 1,-0.3 3,-0.1 0.262 82.3 126.3 83.9 -7.7 52.9 28.1 45.5 82 82 A T S S- 0 0 0 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.3 -0.350 70.8 -97.2 -76.8 162.7 52.2 29.7 42.1 83 83 A P B > -C 77 0C 0 0, 0.0 3,-1.2 0, 0.0 -6,-0.2 -0.369 39.3-102.4 -71.4 160.7 55.1 31.2 40.2 84 84 A V T 3 S+ 0 0 55 -8,-2.1 -7,-0.1 1,-0.2 -2,-0.1 0.656 115.7 45.0 -58.0 -28.6 55.6 35.0 40.6 85 85 A N T 3 S+ 0 0 67 -9,-0.2 2,-0.3 31,-0.1 -1,-0.2 0.456 108.6 53.8-103.0 2.4 54.2 36.0 37.2 86 86 A F < - 0 0 2 -3,-1.2 2,-0.3 5,-0.0 3,-0.1 -0.929 60.5-164.5-134.6 152.7 51.0 33.9 37.0 87 87 A T > - 0 0 62 -2,-0.3 4,-1.3 1,-0.1 5,-0.1 -0.907 33.2-116.9-135.2 162.0 48.0 33.4 39.3 88 88 A Y T 4 S+ 0 0 39 -2,-0.3 3,-0.5 1,-0.2 4,-0.3 0.954 115.2 53.2 -60.4 -47.7 45.1 31.0 39.8 89 89 A A T >4 S+ 0 0 60 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.890 106.2 51.8 -57.0 -40.6 42.5 33.8 38.9 90 90 A E T 34 S+ 0 0 40 1,-0.3 -1,-0.3 3,-0.1 3,-0.2 0.841 110.4 51.8 -67.0 -26.7 44.2 34.6 35.6 91 91 A L T 3< S+ 0 0 3 -4,-1.3 46,-2.9 -3,-0.5 -1,-0.3 0.455 111.9 47.3 -91.1 3.1 44.0 30.9 34.9 92 92 A N < + 0 0 11 -3,-1.4 -1,-0.2 -4,-0.3 46,-0.1 -0.710 48.5 156.3-149.4 92.9 40.3 30.6 35.6 93 93 A R S S+ 0 0 172 44,-0.4 3,-0.1 -2,-0.2 -3,-0.1 0.034 71.8 72.0 -98.1 16.1 38.0 33.3 34.0 94 94 A b S S- 0 0 37 1,-0.4 2,-0.2 43,-0.2 44,-0.1 0.876 108.5 -26.2 -95.9 -76.1 35.2 30.8 34.3 95 95 A N - 0 0 46 42,-0.1 -1,-0.4 4,-0.1 42,-0.1 -0.718 53.9-114.7-132.9-179.2 34.2 30.4 37.9 96 96 A S S S+ 0 0 117 -2,-0.2 -7,-0.0 1,-0.1 -3,-0.0 -0.135 103.1 48.8-114.2 35.5 35.8 30.8 41.4 97 97 A D S S- 0 0 87 2,-0.2 -1,-0.1 8,-0.0 3,-0.1 0.262 95.3-124.6-149.0 -4.5 35.8 27.2 42.7 98 98 A W + 0 0 10 1,-0.2 2,-0.3 10,-0.1 3,-0.2 0.791 65.6 137.0 58.3 30.2 37.2 25.2 39.9 99 99 A S + 0 0 59 1,-0.1 -1,-0.2 9,-0.1 -2,-0.2 -0.744 37.4 59.6-102.8 152.9 34.2 23.0 39.9 100 100 A G S S+ 0 0 37 -2,-0.3 40,-1.6 1,-0.2 -1,-0.1 -0.051 77.8 118.1 120.4 -30.8 32.4 21.8 36.7 101 101 A G S S- 0 0 19 38,-0.3 -1,-0.2 -3,-0.2 55,-0.2 0.345 80.2 -99.6 -58.1-174.6 35.3 20.1 35.0 102 102 A K S S+ 0 0 101 53,-2.5 2,-0.3 2,-0.1 54,-0.1 0.185 107.6 34.3 -96.4 8.9 36.0 16.4 33.9 103 103 A V S S- 0 0 49 52,-0.4 -2,-0.2 1,-0.1 -3,-0.2 -0.919 105.8 -65.2-156.1 165.8 38.0 15.9 37.1 104 104 A S > - 0 0 81 -2,-0.3 4,-1.9 1,-0.1 -1,-0.1 0.067 43.3-115.5 -52.3 162.9 38.0 17.1 40.7 105 105 A A H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.801 119.3 49.8 -73.3 -32.5 38.5 20.8 41.6 106 106 A A H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.848 112.1 45.7 -75.8 -36.2 41.7 19.7 43.4 107 107 A T H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.855 113.3 52.7 -69.3 -38.0 43.0 17.7 40.4 108 108 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.916 111.8 43.5 -63.5 -50.3 42.0 20.6 38.2 109 109 A R H X S+ 0 0 87 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.815 113.9 51.5 -66.4 -34.4 44.0 23.2 40.3 110 110 A A H X S+ 0 0 46 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.862 110.7 47.2 -71.5 -35.4 47.0 20.8 40.6 111 111 A N H X S+ 0 0 36 -4,-2.1 4,-1.4 45,-0.3 -2,-0.2 0.844 112.9 51.4 -67.6 -37.4 47.0 20.3 36.8 112 112 A A H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.856 103.3 58.4 -62.6 -44.9 46.8 24.1 36.5 113 113 A L H X S+ 0 0 17 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.912 104.3 49.8 -56.0 -44.2 49.7 24.6 38.8 114 114 A V H X S+ 0 0 19 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.909 108.9 53.3 -61.9 -40.9 52.0 22.5 36.6 115 115 A T H X S+ 0 0 2 -4,-1.4 4,-2.6 42,-0.2 -2,-0.2 0.911 106.8 52.9 -59.9 -42.9 50.8 24.7 33.6 116 116 A M H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.906 109.3 47.9 -57.6 -44.7 51.8 27.8 35.6 117 117 A W H X S+ 0 0 6 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.866 111.3 50.7 -68.1 -35.7 55.3 26.5 36.2 118 118 A K H X S+ 0 0 10 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.938 110.9 49.6 -64.8 -43.9 55.7 25.6 32.5 119 119 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.821 106.6 55.9 -61.7 -36.0 54.5 29.2 31.6 120 120 A Q H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.907 108.5 46.8 -62.0 -46.9 57.0 30.7 34.0 121 121 A A H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.914 114.6 47.1 -60.0 -47.2 59.9 28.9 32.3 122 122 A M H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.879 107.8 56.8 -63.2 -40.6 58.6 29.9 28.9 123 123 A R H <>S+ 0 0 32 -4,-2.8 5,-1.7 1,-0.2 6,-0.6 0.905 111.7 42.2 -57.4 -47.5 58.2 33.6 30.1 124 124 A H H ><5S+ 0 0 46 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.892 111.2 54.4 -67.7 -41.3 61.9 33.7 31.1 125 125 A A H 3<5S+ 0 0 69 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.836 106.8 53.8 -59.8 -31.9 63.1 31.9 27.9 126 126 A M T 3<5S- 0 0 40 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.373 133.0 -84.6 -83.4 -0.3 61.2 34.5 25.8 127 127 A G T < 5 - 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