==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-AUG-02 1MG5 . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR J.BENACH,S.ATRIAN,R.GONZALEZ-DUARTE,R.LADENSTEIN . 510 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 50 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 2 0 2 0 2 0 4 0 0 0 4 2 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 6 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 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 . 2 0 0 0 0 0 2 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 S 0 0 172 0, 0.0 227,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.8 25.4 -6.0 51.5 2 2 A F + 0 0 50 226,-0.1 2,-0.3 225,-0.1 3,-0.0 -0.274 360.0 177.7 -59.2 137.9 22.3 -4.5 49.8 3 3 A T - 0 0 70 2,-0.1 225,-0.0 1,-0.1 224,-0.0 -0.994 35.7-143.8-138.8 151.0 19.0 -4.9 51.7 4 4 A L > + 0 0 1 -2,-0.3 3,-2.1 2,-0.1 28,-0.3 0.533 65.6 121.5 -84.0 -10.9 15.4 -3.7 51.0 5 5 A T T 3 S- 0 0 76 1,-0.3 26,-0.3 26,-0.1 -2,-0.1 -0.330 86.6 -1.3 -57.7 130.7 15.0 -3.2 54.8 6 6 A N T 3 S+ 0 0 106 24,-2.9 -1,-0.3 1,-0.2 25,-0.2 0.660 101.8 138.9 61.7 24.8 14.1 0.4 55.5 7 7 A K < - 0 0 47 -3,-2.1 25,-2.6 23,-0.1 26,-1.9 -0.558 52.0-131.3 -97.3 161.0 14.2 1.5 51.8 8 8 A N E -a 33 0A 3 24,-0.2 79,-2.7 -2,-0.2 80,-1.7 -0.955 28.4-172.3-109.4 120.7 11.9 3.7 49.8 9 9 A V E -ab 34 88A 2 24,-2.9 26,-3.0 -2,-0.5 2,-0.5 -0.946 16.4-157.8-120.7 131.8 10.8 2.2 46.5 10 10 A I E -ab 35 89A 1 78,-2.5 80,-2.9 -2,-0.4 2,-0.6 -0.945 13.5-167.8-101.2 126.0 8.9 3.8 43.6 11 11 A F E > -ab 36 90A 0 24,-3.2 26,-2.4 -2,-0.5 3,-0.9 -0.910 6.5-159.7-120.8 99.8 7.2 1.2 41.5 12 12 A V E 3 S+ab 37 91A 4 78,-2.8 80,-2.1 -2,-0.6 26,-0.2 -0.710 85.9 14.1 -73.9 124.7 5.7 2.4 38.2 13 13 A A T > S+ 0 0 17 24,-3.3 3,-0.6 -2,-0.5 -1,-0.2 0.850 80.6 151.2 74.3 45.5 3.1 -0.1 37.0 14 14 A G T < + 0 0 0 -3,-0.9 9,-0.3 23,-0.7 24,-0.1 0.399 61.9 56.7 -87.3 6.6 2.9 -1.8 40.4 15 15 A L T 3 S+ 0 0 9 22,-0.2 -1,-0.2 4,-0.1 23,-0.1 0.432 82.8 96.9-116.7 -4.1 -0.8 -2.9 40.1 16 16 A G S <> S- 0 0 24 -3,-0.6 4,-3.2 4,-0.1 5,-0.4 0.036 95.9 -76.6 -71.3-168.4 -0.7 -5.0 36.8 17 17 A G H > S+ 0 0 37 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.967 133.9 24.2 -57.4 -58.6 -0.4 -8.8 36.7 18 18 A I H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 123.1 59.1 -71.8 -39.1 3.3 -9.0 37.4 19 19 A G H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.917 104.3 45.4 -55.5 -57.1 3.3 -5.6 39.2 20 20 A L H X S+ 0 0 28 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.934 114.5 48.8 -60.0 -42.1 0.7 -6.4 41.9 21 21 A D H X S+ 0 0 27 -4,-1.2 4,-2.3 -5,-0.4 -1,-0.2 0.881 112.3 49.1 -64.0 -38.6 2.3 -9.8 42.7 22 22 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.893 109.3 53.1 -66.2 -35.7 5.8 -8.1 42.8 23 23 A S H X S+ 0 0 0 -4,-2.6 4,-1.9 -9,-0.3 -2,-0.2 0.950 110.1 47.5 -63.6 -42.4 4.3 -5.4 45.1 24 24 A K H < S+ 0 0 56 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.912 112.6 49.5 -64.1 -41.6 3.0 -8.2 47.4 25 25 A E H >< S+ 0 0 18 -4,-2.3 3,-1.4 1,-0.2 4,-0.3 0.901 107.9 53.1 -66.5 -39.7 6.4 -9.9 47.3 26 26 A L H >< S+ 0 0 1 -4,-2.8 3,-1.9 1,-0.3 5,-0.3 0.889 100.7 62.6 -61.6 -36.2 8.3 -6.7 48.1 27 27 A L T 3< S+ 0 0 1 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.585 83.4 75.5 -73.2 -0.9 6.0 -6.2 51.2 28 28 A K T < S+ 0 0 131 -3,-1.4 -1,-0.3 -4,-0.3 2,-0.3 0.751 93.3 68.1 -74.6 -21.1 7.4 -9.5 52.7 29 29 A R S < S- 0 0 49 -3,-1.9 2,-1.9 -4,-0.3 27,-0.0 -0.677 101.0-108.4 -94.3 156.4 10.4 -7.3 53.4 30 30 A D + 0 0 58 -2,-0.3 -24,-2.9 25,-0.0 -3,-0.1 -0.325 50.1 172.1 -87.4 64.8 10.4 -4.4 55.9 31 31 A L - 0 0 2 -2,-1.9 -23,-0.2 -5,-0.3 3,-0.1 -0.172 35.0-138.3 -61.8 160.1 10.6 -1.5 53.4 32 32 A K S S+ 0 0 96 -25,-2.6 25,-2.2 1,-0.4 2,-0.4 0.887 84.1 0.6 -83.5 -51.1 10.2 2.0 54.7 33 33 A N E -ac 8 57A 5 -26,-1.9 -24,-2.9 23,-0.2 2,-0.5 -0.994 51.8-166.2-140.9 141.6 7.9 3.0 51.9 34 34 A L E -ac 9 58A 0 23,-2.6 25,-2.1 -2,-0.4 2,-0.6 -0.993 15.3-168.2-123.7 115.8 6.4 1.5 48.7 35 35 A V E -ac 10 59A 0 -26,-3.0 -24,-3.2 -2,-0.5 2,-0.5 -0.961 6.7-157.8-109.6 113.3 5.1 4.2 46.4 36 36 A I E -ac 11 60A 0 23,-2.8 25,-2.8 -2,-0.6 2,-0.5 -0.844 8.6-172.9 -98.6 123.2 2.9 2.7 43.6 37 37 A L E +ac 12 61A 2 -26,-2.4 -24,-3.3 -2,-0.5 -23,-0.7 -0.983 25.2 138.1-112.7 123.5 2.5 4.8 40.4 38 38 A D E - c 0 62A 15 23,-1.4 25,-1.7 -2,-0.5 26,-0.1 -0.980 57.1-132.0-161.1 161.2 -0.0 3.4 37.9 39 39 A R S S+ 0 0 168 -2,-0.3 2,-0.2 23,-0.2 25,-0.1 0.623 87.9 91.3 -93.0 -12.9 -2.8 4.4 35.5 40 40 A I - 0 0 68 23,-0.1 2,-0.6 -3,-0.1 23,-0.1 -0.566 68.7-153.8 -72.9 138.6 -4.9 1.5 37.0 41 41 A E + 0 0 135 -2,-0.2 -2,-0.1 21,-0.1 -1,-0.0 -0.978 29.5 155.1-117.8 108.4 -7.0 2.8 39.9 42 42 A N >> + 0 0 59 -2,-0.6 4,-2.0 1,-0.1 3,-0.6 -0.669 15.6 177.5-138.0 85.8 -7.7 -0.1 42.2 43 43 A P H 3> S+ 0 0 100 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.826 82.0 58.9 -59.0 -34.3 -8.4 1.0 45.7 44 44 A A H 3> S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.900 106.5 48.5 -62.6 -40.2 -9.1 -2.6 46.9 45 45 A A H <> S+ 0 0 2 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.919 110.3 51.2 -65.2 -40.3 -5.6 -3.6 45.8 46 46 A I H X S+ 0 0 19 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.933 111.0 48.0 -64.0 -42.9 -4.1 -0.6 47.6 47 47 A A H X S+ 0 0 58 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.925 111.4 51.2 -62.4 -41.6 -6.0 -1.5 50.8 48 48 A E H X S+ 0 0 92 -4,-2.5 4,-0.9 1,-0.2 3,-0.4 0.932 110.2 49.1 -59.0 -44.7 -4.8 -5.1 50.5 49 49 A L H >X S+ 0 0 1 -4,-2.8 3,-1.0 1,-0.2 4,-0.7 0.920 107.7 53.9 -64.3 -40.7 -1.2 -3.9 50.0 50 50 A K H 3< S+ 0 0 113 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 107.7 52.7 -60.6 -31.3 -1.4 -1.7 53.1 51 51 A A H 3< S+ 0 0 81 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.628 91.9 74.2 -82.2 -15.7 -2.6 -4.6 55.2 52 52 A I H << S+ 0 0 70 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.954 110.2 14.8 -63.2 -50.3 0.3 -7.0 54.3 53 53 A N >< - 0 0 13 -4,-0.7 3,-1.6 3,-0.1 -1,-0.2 -0.940 59.5-162.4-135.1 111.4 3.0 -5.4 56.4 54 54 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.719 89.8 63.5 -67.3 -18.5 2.3 -2.9 59.1 55 55 A K T 3 S+ 0 0 150 2,-0.0 2,-0.4 -22,-0.0 -25,-0.0 0.654 93.2 77.9 -77.3 -18.0 5.8 -1.6 59.2 56 56 A V S < S- 0 0 10 -3,-1.6 2,-0.5 -6,-0.1 -23,-0.2 -0.802 71.1-142.8 -99.8 140.3 5.6 -0.4 55.6 57 57 A T E -c 33 0A 75 -25,-2.2 -23,-2.6 -2,-0.4 2,-0.5 -0.847 18.2-162.0 -94.9 124.0 3.9 2.8 54.4 58 58 A V E -c 34 0A 3 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.952 9.8-179.2-111.0 123.1 2.1 2.3 51.0 59 59 A T E -c 35 0A 28 -25,-2.1 -23,-2.8 -2,-0.5 2,-0.4 -0.981 11.3-153.1-120.9 138.6 1.2 5.4 49.0 60 60 A F E -c 36 0A 41 -2,-0.4 -23,-0.2 -25,-0.2 -25,-0.0 -0.882 11.2-178.9-112.4 138.7 -0.6 5.4 45.6 61 61 A Y E -c 37 0A 41 -25,-2.8 -23,-1.4 -2,-0.4 2,-0.1 -0.967 28.8-126.5-131.3 121.8 -0.3 8.0 42.9 62 62 A P E +c 38 0A 78 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 -0.411 43.0 168.9 -58.8 134.9 -2.2 7.8 39.6 63 63 A Y - 0 0 18 -25,-1.7 2,-0.5 -23,-0.1 -23,-0.1 -0.946 31.9-160.2-158.8 133.6 0.3 8.2 36.8 64 64 A D > - 0 0 48 -2,-0.3 3,-1.6 -26,-0.1 -26,-0.0 -0.979 15.1-151.1-113.6 117.1 0.4 7.8 33.0 65 65 A V T 3 S+ 0 0 13 -2,-0.5 49,-0.1 1,-0.3 50,-0.1 0.572 86.8 73.9 -67.7 -8.4 4.0 7.3 31.8 66 66 A T T 3 S+ 0 0 47 48,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.474 71.8 108.5 -86.4 1.5 3.3 8.9 28.4 67 67 A V S < S- 0 0 41 -3,-1.6 5,-0.1 1,-0.1 -4,-0.0 -0.332 84.5 -85.0 -71.5 158.6 3.1 12.4 29.8 68 68 A P >> - 0 0 82 0, 0.0 3,-1.6 0, 0.0 4,-1.4 -0.203 42.0-107.1 -60.0 153.5 5.9 14.9 29.0 69 69 A I H 3> S+ 0 0 54 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.854 116.8 62.7 -55.9 -37.0 9.0 14.7 31.2 70 70 A A H 3> S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.841 102.4 52.4 -59.3 -31.8 8.1 18.0 32.9 71 71 A E H <> S+ 0 0 114 -3,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.916 108.4 48.8 -67.4 -45.9 4.9 16.4 34.3 72 72 A T H X S+ 0 0 2 -4,-1.4 4,-3.1 1,-0.2 5,-0.2 0.905 108.5 55.8 -58.1 -38.5 6.9 13.4 35.7 73 73 A T H X S+ 0 0 35 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.924 105.5 51.5 -61.0 -42.7 9.3 16.0 37.3 74 74 A K H X S+ 0 0 117 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.872 111.8 46.3 -60.7 -40.8 6.3 17.6 39.0 75 75 A L H X S+ 0 0 28 -4,-1.9 4,-2.3 2,-0.2 3,-0.3 0.937 112.7 48.9 -67.9 -46.6 5.2 14.2 40.4 76 76 A L H X S+ 0 0 2 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.914 106.1 57.5 -60.2 -40.1 8.7 13.3 41.5 77 77 A K H X S+ 0 0 129 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.892 108.5 48.1 -54.2 -41.1 9.1 16.7 43.2 78 78 A T H X S+ 0 0 73 -4,-1.3 4,-2.1 -3,-0.3 -2,-0.2 0.926 111.2 48.2 -66.2 -44.7 6.0 15.8 45.2 79 79 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.919 112.4 49.1 -64.5 -41.4 7.2 12.3 46.2 80 80 A F H X S+ 0 0 26 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.842 110.2 51.2 -68.0 -29.6 10.6 13.7 47.2 81 81 A A H < S+ 0 0 62 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.862 113.7 46.9 -70.5 -30.4 8.8 16.4 49.3 82 82 A Q H < S+ 0 0 76 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.917 133.1 13.1 -73.1 -46.3 6.8 13.6 50.9 83 83 A L H < S- 0 0 23 -4,-2.7 2,-2.0 -5,-0.2 -3,-0.2 0.514 81.3-143.0-113.5 -9.2 9.6 11.2 51.6 84 84 A K S < S+ 0 0 153 -4,-2.4 2,-0.3 -5,-0.3 -4,-0.1 -0.213 79.1 44.2 72.3 -43.0 12.9 13.1 51.2 85 85 A T - 0 0 70 -2,-2.0 2,-0.4 -6,-0.1 0, 0.0 -0.928 57.3-166.1-132.6 152.4 14.7 10.1 49.7 86 86 A V - 0 0 5 -2,-0.3 -77,-0.2 1,-0.1 3,-0.1 -0.991 4.9-178.6-134.1 128.4 14.0 7.4 47.1 87 87 A D + 0 0 50 -79,-2.7 46,-1.2 -2,-0.4 2,-0.4 0.740 66.8 24.9 -99.4 -36.0 16.4 4.4 47.0 88 88 A V E -bd 9 133A 0 -80,-1.7 -78,-2.5 44,-0.2 2,-0.4 -1.000 56.9-162.8-135.8 138.2 15.0 2.3 44.1 89 89 A L E -bd 10 134A 0 44,-2.3 46,-2.9 -2,-0.4 2,-0.6 -0.994 6.7-164.4-118.0 126.1 12.9 3.1 41.0 90 90 A I E -bd 11 135A 0 -80,-2.9 -78,-2.8 -2,-0.4 2,-0.8 -0.975 2.3-163.3-113.1 117.3 11.2 0.2 39.2 91 91 A N E +bd 12 136A 4 44,-2.0 46,-2.6 -2,-0.6 -78,-0.1 -0.891 28.3 150.5 -97.6 100.5 10.0 1.1 35.7 92 92 A G + 0 0 13 -80,-2.1 -79,-0.1 -2,-0.8 2,-0.1 0.299 16.1 130.6-117.6 10.8 7.5 -1.6 34.8 93 93 A A + 0 0 22 14,-0.1 2,-0.3 -74,-0.0 19,-0.1 -0.395 26.1 153.1 -69.8 143.5 4.9 -0.1 32.4 94 94 A G - 0 0 32 -2,-0.1 2,-0.3 2,-0.0 10,-0.1 -0.965 27.1-163.6-164.7 143.9 4.0 -2.0 29.2 95 95 A I - 0 0 43 -2,-0.3 2,-0.5 9,-0.2 13,-0.1 -0.941 10.5-153.7-122.2 153.0 1.3 -2.5 26.7 96 96 A L + 0 0 17 -2,-0.3 98,-0.3 93,-0.1 2,-0.1 -0.915 49.8 115.7-127.1 97.1 1.2 -5.4 24.1 97 97 A D > - 0 0 28 -2,-0.5 3,-2.2 3,-0.2 7,-0.2 -0.513 39.8-168.7-166.5 94.7 -0.8 -4.3 21.1 98 98 A D T 3 S+ 0 0 2 96,-2.2 99,-0.4 1,-0.3 3,-0.2 0.360 87.1 70.1 -77.5 10.2 0.8 -4.0 17.7 99 99 A H T 3 S+ 0 0 95 1,-0.2 2,-0.7 97,-0.1 -1,-0.3 0.565 93.3 61.8 -90.1 -12.6 -2.2 -2.2 16.4 100 100 A Q <> + 0 0 83 -3,-2.2 4,-2.2 1,-0.2 5,-0.2 -0.772 64.8 163.1-112.7 77.4 -1.1 0.8 18.6 101 101 A I H > S+ 0 0 16 -2,-0.7 4,-2.1 2,-0.2 5,-0.2 0.976 73.9 41.5 -62.6 -57.2 2.3 1.6 17.1 102 102 A E H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.918 118.2 46.7 -59.5 -44.2 2.8 5.1 18.6 103 103 A R H > S+ 0 0 65 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.905 107.8 55.9 -68.1 -39.5 1.4 4.1 22.0 104 104 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -7,-0.2 5,-0.3 0.938 114.1 41.2 -55.6 -45.1 3.4 0.9 22.3 105 105 A I H X>S+ 0 0 3 -4,-2.1 4,-2.1 -5,-0.2 5,-2.0 0.937 114.0 52.1 -70.7 -40.1 6.6 3.0 21.7 106 106 A A H <>S+ 0 0 30 -4,-2.6 5,-2.2 -5,-0.2 -2,-0.2 0.874 119.4 34.6 -65.5 -38.4 5.5 5.8 24.0 107 107 A V H <>S+ 0 0 10 -4,-3.0 5,-0.5 3,-0.2 -2,-0.2 0.958 123.1 40.5 -78.3 -52.4 4.7 3.5 26.9 108 108 A N H <5S+ 0 0 1 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.752 134.5 5.2 -75.9 -31.8 7.4 0.8 26.5 109 109 A Y T X5S+ 0 0 2 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.698 128.0 44.8-116.6 -63.3 10.4 2.9 25.6 110 110 A T H >X S+ 0 0 2 -4,-2.9 3,-1.0 1,-0.2 4,-0.5 0.911 108.8 49.1 -64.7 -43.6 13.5 12.7 35.4 119 119 A I H >X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-1.2 0.833 99.2 68.2 -69.9 -21.7 14.7 10.9 38.5 120 120 A L H 3X S+ 0 0 2 -4,-1.8 4,-3.1 1,-0.3 -1,-0.2 0.829 88.4 65.8 -65.2 -24.5 18.3 11.5 37.5 121 121 A D H << S+ 0 0 89 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.849 111.2 35.6 -63.3 -31.4 17.8 15.2 38.2 122 122 A F H << S+ 0 0 34 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.782 129.9 32.2 -87.4 -32.4 17.2 14.2 41.9 123 123 A W H < S+ 0 0 0 -4,-2.1 8,-2.7 6,-0.2 -3,-0.2 0.763 80.0 113.6-101.1 -27.9 19.8 11.4 42.0 124 124 A D ><> - 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