==== 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 OXIDOREDUCTASE 20-FEB-06 2CFD . COMPND 2 MOLECULE: PHENYLETHYLAMINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER GLOBIFORMIS; . AUTHOR D.B.LANGLEY,A.P.DUFF,H.C.FREEMAN,J.M.GUSS,G.A.JUDA,D.M.DOOLE . 1238 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 827 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 425 34.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 1 0.1 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 . 132 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 4 4 1 1 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 11 4 9 5 5 11 9 4 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 3 1 0 0 0 0 0 4 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 9 A A 0 0 122 0, 0.0 4,-0.1 0, 0.0 47,-0.0 0.000 360.0 360.0 360.0 -60.7 59.1 15.9 13.7 2 10 A S > - 0 0 42 1,-0.2 3,-1.7 2,-0.1 227,-0.0 0.162 360.0-162.3 -11.9 92.6 56.4 13.6 15.3 3 11 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 46,-0.1 0.641 90.9 55.2 -62.6 -14.9 56.2 10.3 13.4 4 12 A F T 3 S+ 0 0 48 34,-0.1 -2,-0.1 246,-0.0 3,-0.1 0.229 79.7 130.2-102.8 15.3 52.7 9.6 15.0 5 13 A R < - 0 0 59 -3,-1.7 222,-0.1 1,-0.1 3,-0.1 -0.228 67.3 -92.5 -63.2 154.1 51.2 12.9 13.7 6 14 A L - 0 0 39 233,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.356 48.5 -92.5 -62.9 147.7 47.8 12.8 11.9 7 15 A A - 0 0 19 234,-0.3 312,-0.6 312,-0.2 2,-0.2 -0.405 45.1-142.9 -58.5 134.3 47.8 12.5 8.1 8 16 A S >> - 0 0 59 -2,-0.1 4,-1.6 1,-0.1 3,-0.5 -0.604 24.3-107.0 -97.8 161.2 47.7 16.0 6.5 9 17 A A H 3> S+ 0 0 45 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.912 120.1 56.7 -50.2 -44.0 45.8 17.0 3.4 10 18 A G H 3> S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.812 102.3 53.2 -60.6 -36.9 49.2 17.2 1.6 11 19 A E H <> S+ 0 0 15 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.890 109.3 48.8 -65.4 -41.2 50.2 13.6 2.4 12 20 A I H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.916 111.4 49.6 -68.1 -40.1 47.0 12.3 0.9 13 21 A S H X S+ 0 0 48 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.850 110.6 51.3 -61.5 -36.8 47.4 14.4 -2.2 14 22 A E H X S+ 0 0 94 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.867 109.0 49.7 -71.0 -36.5 51.0 13.1 -2.5 15 23 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.905 109.1 53.2 -65.2 -41.8 49.7 9.5 -2.2 16 24 A Q H X S+ 0 0 14 -4,-2.2 4,-2.2 309,-0.3 5,-0.2 0.872 106.3 53.6 -60.2 -38.9 47.2 10.2 -4.9 17 25 A G H X S+ 0 0 26 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.907 108.1 48.9 -63.5 -44.4 49.9 11.5 -7.2 18 26 A I H X S+ 0 0 17 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.900 112.7 47.6 -64.2 -43.6 52.0 8.3 -6.8 19 27 A L H <>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 6,-0.5 0.971 113.6 44.3 -62.7 -56.2 49.0 6.0 -7.5 20 28 A R H ><5S+ 0 0 132 -4,-2.2 3,-1.9 4,-0.2 5,-0.3 0.933 111.9 55.7 -57.3 -47.8 47.7 7.7 -10.7 21 29 A T H 3<5S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.855 105.8 48.7 -49.3 -49.6 51.2 8.1 -12.1 22 30 A A T 3<5S- 0 0 61 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.220 123.9-101.3 -86.0 16.1 52.1 4.4 -11.9 23 31 A G T < 5S+ 0 0 62 -3,-1.9 -3,-0.2 -4,-0.1 3,-0.2 0.785 93.4 112.5 78.2 31.5 48.8 3.5 -13.6 24 32 A L S S- 0 0 42 -3,-0.2 3,-1.0 -7,-0.1 -6,-0.0 0.141 73.9 -70.6 -77.9-161.2 42.4 5.9 -13.7 27 35 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.698 131.1 52.9 -68.8 -19.6 38.7 6.6 -14.1 28 36 A E T 3 S+ 0 0 96 30,-0.1 31,-2.2 31,-0.0 32,-0.4 0.355 91.7 94.2 -99.0 2.1 37.7 3.0 -13.2 29 37 A K E < -A 58 0A 43 -3,-1.0 2,-0.4 29,-0.2 29,-0.2 -0.712 50.0-173.5 -97.9 147.1 39.5 2.9 -9.9 30 38 A R E -A 57 0A 38 27,-2.0 27,-3.1 -2,-0.3 2,-0.5 -0.991 25.1-127.5-139.9 130.1 38.1 3.7 -6.5 31 39 A I E +A 56 0A 13 292,-2.8 25,-0.2 -2,-0.4 3,-0.1 -0.669 25.8 176.8 -75.8 120.1 39.9 3.9 -3.1 32 40 A A E S+ 0 0 8 23,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.582 71.7 7.2 -97.0 -18.5 38.0 1.7 -0.6 33 41 A Y E +A 55 0A 8 22,-1.1 22,-2.3 290,-0.1 -1,-0.4 -0.917 61.2 171.8-163.1 139.6 40.5 2.3 2.1 34 42 A L E +A 54 0A 11 -2,-0.3 209,-0.4 20,-0.2 2,-0.3 -0.951 16.0 143.9-150.7 132.7 43.5 4.6 2.8 35 43 A G E -A 53 0A 7 18,-1.9 18,-3.0 -2,-0.3 2,-0.2 -0.989 46.2 -95.0-162.9 160.7 45.6 5.2 5.9 36 44 A V E -A 52 0A 34 -2,-0.3 2,-0.3 16,-0.2 16,-0.3 -0.518 37.7-131.4 -76.2 138.8 49.0 5.9 7.4 37 45 A L - 0 0 39 14,-2.8 14,-0.4 -2,-0.2 3,-0.1 -0.714 24.7-111.5 -86.5 144.2 51.0 2.9 8.7 38 46 A D - 0 0 67 -2,-0.3 -34,-0.1 502,-0.1 -1,-0.1 -0.409 41.3 -94.6 -69.2 151.9 52.5 3.1 12.2 39 47 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.219 46.2-100.9 -61.8 157.1 56.4 3.3 12.3 40 48 A A > - 0 0 63 1,-0.1 3,-1.8 -3,-0.1 4,-0.2 -0.399 49.2 -77.6 -78.4 157.2 58.3 0.0 12.8 41 49 A R T 3 S+ 0 0 81 1,-0.3 -1,-0.1 2,-0.1 499,-0.0 -0.369 119.4 9.3 -51.8 120.7 59.7 -1.1 16.2 42 50 A G T > S+ 0 0 72 -2,-0.1 3,-0.8 -3,-0.1 4,-0.3 0.643 84.3 129.8 81.7 19.6 62.9 0.9 16.9 43 51 A A T < + 0 0 40 -3,-1.8 3,-0.4 1,-0.2 -2,-0.1 0.589 47.8 89.4 -81.6 -11.3 62.5 3.4 13.9 44 52 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.2 -4,-0.2 4,-0.1 0.642 80.9 63.2 -58.7 -17.1 63.1 6.4 16.2 45 53 A S S < S+ 0 0 102 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.945 102.8 50.5 -68.9 -53.0 66.8 5.9 15.5 46 54 A E S S- 0 0 149 -3,-0.4 3,-0.1 -4,-0.3 -4,-0.0 -0.326 98.7 -84.8 -85.5 167.7 66.4 6.7 11.7 47 55 A A - 0 0 92 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 -0.097 65.1 -64.7 -66.2 170.3 64.7 9.6 9.9 48 56 A E - 0 0 96 1,-0.1 -1,-0.2 -4,-0.1 2,-0.2 -0.225 42.7-176.1 -65.9 142.5 61.0 9.6 9.1 49 57 A D - 0 0 71 -3,-0.1 2,-0.6 -46,-0.1 -1,-0.1 -0.618 8.6-169.6-139.2 75.0 59.5 7.1 6.7 50 58 A R + 0 0 11 -2,-0.2 21,-2.1 20,-0.1 22,-1.2 -0.566 10.5 178.2 -74.9 111.7 55.8 7.9 6.3 51 59 A R E - B 0 70A 92 -2,-0.6 -14,-2.8 -14,-0.4 2,-0.4 -0.890 12.9-157.7-113.7 145.5 54.0 5.1 4.4 52 60 A F E -AB 36 69A 0 17,-2.2 17,-2.5 -2,-0.3 2,-0.4 -0.940 8.5-143.4-119.9 144.7 50.3 4.8 3.5 53 61 A R E -AB 35 68A 9 -18,-3.0 -18,-1.9 -2,-0.4 2,-0.4 -0.897 20.0-172.0-108.3 139.5 48.4 1.6 2.8 54 62 A V E -AB 34 67A 0 13,-2.7 13,-2.7 -2,-0.4 2,-0.5 -0.990 19.4-157.3-136.1 136.4 45.6 1.6 0.1 55 63 A F E -AB 33 66A 1 -22,-2.3 -23,-2.8 -2,-0.4 -22,-1.1 -0.978 21.1-162.5-108.0 123.4 42.9 -0.8 -1.1 56 64 A I E -AB 31 65A 4 9,-2.7 9,-2.0 -2,-0.5 -25,-0.2 -0.938 3.3-162.3-118.5 121.4 41.8 -0.1 -4.7 57 65 A H E -A 30 0A 13 -27,-3.1 -27,-2.0 -2,-0.5 2,-0.4 -0.536 9.7-142.5 -90.6 157.5 38.6 -1.4 -6.3 58 66 A D E > -A 29 0A 7 4,-0.4 3,-0.7 -29,-0.2 -29,-0.2 -0.965 7.1-164.8-127.8 117.9 37.8 -1.5 -10.0 59 67 A V T 3 S+ 0 0 36 -31,-2.2 -30,-0.1 -2,-0.4 -1,-0.1 0.670 88.5 62.5 -74.8 -19.3 34.2 -0.8 -11.3 60 68 A S T 3 S- 0 0 80 -32,-0.4 -1,-0.2 115,-0.0 -31,-0.1 0.788 123.7 -97.4 -70.9 -28.2 34.9 -2.3 -14.8 61 69 A G S < S+ 0 0 53 -3,-0.7 -2,-0.1 1,-0.3 114,-0.1 0.390 75.9 139.9 122.3 1.9 35.5 -5.8 -13.2 62 70 A A - 0 0 45 1,-0.1 -4,-0.4 -5,-0.0 -1,-0.3 -0.314 62.6 -82.5 -75.1 161.6 39.3 -5.9 -12.9 63 71 A R - 0 0 134 1,-0.1 -1,-0.1 -6,-0.1 20,-0.1 -0.343 46.8-115.5 -70.8 140.1 41.1 -7.4 -9.9 64 72 A P - 0 0 13 0, 0.0 18,-2.7 0, 0.0 2,-0.4 -0.179 28.3-138.1 -67.9 169.3 41.5 -5.1 -6.8 65 73 A Q E -BC 56 81A 37 -9,-2.0 -9,-2.7 16,-0.2 2,-0.5 -0.986 11.5-151.1-135.0 136.2 44.9 -4.1 -5.5 66 74 A E E -BC 55 80A 44 14,-2.5 14,-2.5 -2,-0.4 2,-0.4 -0.950 30.5-178.1-100.5 129.0 46.6 -3.7 -2.2 67 75 A V E -BC 54 79A 0 -13,-2.7 -13,-2.7 -2,-0.5 2,-0.4 -0.988 20.8-162.1-136.5 128.5 49.2 -1.0 -2.5 68 76 A T E -BC 53 78A 18 10,-1.9 10,-1.7 -2,-0.4 9,-1.3 -0.948 17.2-172.0-108.1 133.4 51.8 0.5 -0.0 69 77 A V E -BC 52 76A 0 -17,-2.5 -17,-2.2 -2,-0.4 2,-0.7 -0.933 22.6-137.8-122.4 143.2 53.2 3.9 -0.9 70 78 A S E >> -BC 51 75A 0 5,-2.6 5,-1.1 -2,-0.3 4,-1.0 -0.932 17.0-177.0 -95.7 112.4 56.1 5.9 0.7 71 79 A V T 45S+ 0 0 16 -21,-2.1 -20,-0.2 -2,-0.7 -1,-0.1 0.819 81.2 60.1 -72.8 -32.8 54.9 9.5 0.8 72 80 A T T 45S+ 0 0 57 -22,-1.2 -1,-0.2 1,-0.2 -21,-0.1 0.839 120.4 23.7 -64.8 -35.3 58.3 10.6 2.3 73 81 A N T 45S- 0 0 114 -23,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.457 103.9-120.0-110.3 -7.8 60.3 9.4 -0.8 74 82 A G T <5 + 0 0 33 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.813 67.9 122.9 73.0 34.3 57.5 9.5 -3.5 75 83 A T E < -C 70 0A 65 -5,-1.1 -5,-2.6 0, 0.0 2,-0.7 -0.788 66.4-116.0-124.4 163.1 57.6 5.7 -4.4 76 84 A V E -C 69 0A 53 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.906 24.7-172.7 -93.4 111.6 55.4 2.6 -4.6 77 85 A I E - 0 0 76 -9,-1.3 2,-0.3 -2,-0.7 -8,-0.2 0.891 68.4 -14.1 -70.8 -40.9 56.8 0.1 -2.0 78 86 A S E -C 68 0A 50 -10,-1.7 -10,-1.9 2,-0.0 -1,-0.3 -0.989 51.5-171.6-158.8 156.4 54.6 -2.7 -3.2 79 87 A A E +C 67 0A 48 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.804 14.5 179.9-154.8 109.1 51.5 -3.4 -5.3 80 88 A V E -C 66 0A 91 -14,-2.5 -14,-2.5 -2,-0.3 2,-0.4 -0.906 26.6-126.7-117.2 141.5 49.8 -6.8 -5.3 81 89 A E E -C 65 0A 121 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.681 31.2-135.1 -81.3 134.4 46.7 -8.0 -7.2 82 90 A L - 0 0 15 -18,-2.7 2,-0.8 -2,-0.4 3,-0.1 -0.744 10.7-150.5-100.5 135.8 44.1 -9.6 -4.9 83 91 A D > - 0 0 81 -2,-0.4 4,-2.4 1,-0.1 3,-0.5 -0.924 17.2-167.1 -94.9 108.4 42.2 -12.8 -5.4 84 92 A T H > S+ 0 0 11 -2,-0.8 4,-1.5 1,-0.2 57,-0.2 0.737 81.5 63.4 -76.8 -25.7 39.1 -11.8 -3.5 85 93 A A H 4 S+ 0 0 39 56,-0.2 469,-0.3 55,-0.2 -1,-0.2 0.859 114.9 35.7 -61.5 -33.8 37.7 -15.4 -3.4 86 94 A A H 4 S+ 0 0 61 -3,-0.5 -2,-0.2 2,-0.1 468,-0.2 0.963 133.0 19.4 -83.9 -57.7 40.8 -16.3 -1.4 87 95 A T H < S- 0 0 64 -4,-2.4 462,-0.4 1,-0.2 -3,-0.2 0.451 113.2 -91.9-104.7 -3.4 41.6 -13.3 0.8 88 96 A G < - 0 0 0 -4,-1.5 -1,-0.2 -5,-0.3 464,-0.2 -0.128 37.7 -78.0 114.7 154.9 38.2 -11.3 0.9 89 97 A E - 0 0 12 462,-2.7 462,-0.5 460,-0.1 3,-0.1 -0.444 55.0 -94.7 -80.3 162.0 36.4 -8.5 -0.9 90 98 A L - 0 0 2 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.307 52.7 -78.8 -74.5 159.2 37.2 -4.9 -0.3 91 99 A P - 0 0 2 0, 0.0 203,-0.2 0, 0.0 -1,-0.1 -0.204 61.2 -84.3 -56.1 147.4 35.3 -2.8 2.2 92 100 A V - 0 0 4 201,-2.3 2,-0.3 -3,-0.1 5,-0.0 -0.270 48.4-124.4 -53.3 135.9 31.9 -1.4 1.2 93 101 A L > - 0 0 7 1,-0.1 3,-1.5 -3,-0.1 4,-0.2 -0.660 4.0-133.8 -86.4 140.7 32.1 1.8 -0.8 94 102 A E G > S+ 0 0 114 -2,-0.3 3,-1.5 1,-0.3 4,-0.1 0.868 108.8 58.9 -53.0 -40.0 30.3 5.0 0.2 95 103 A E G 3 S+ 0 0 72 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.593 94.3 64.3 -72.2 -11.6 29.3 5.3 -3.4 96 104 A E G X> S+ 0 0 9 -3,-1.5 4,-0.8 1,-0.2 3,-0.7 0.430 70.9 102.1 -87.6 1.7 27.5 1.9 -3.4 97 105 A F T <4 S+ 0 0 76 -3,-1.5 4,-0.2 1,-0.3 -1,-0.2 0.809 93.7 27.9 -56.6 -32.2 25.0 3.2 -0.8 98 106 A E T 3> S+ 0 0 81 -3,-0.5 4,-2.2 -4,-0.1 -1,-0.3 0.485 97.4 89.6-107.9 -5.4 22.3 3.6 -3.5 99 107 A V H <> S+ 0 0 29 -3,-0.7 4,-2.2 1,-0.2 5,-0.2 0.854 85.6 53.0 -68.0 -36.1 23.4 1.0 -6.0 100 108 A V H X S+ 0 0 0 -4,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.929 111.5 46.9 -63.3 -43.1 21.3 -1.8 -4.5 101 109 A E H > S+ 0 0 41 25,-0.4 4,-1.6 -4,-0.2 -2,-0.2 0.931 113.8 47.5 -62.6 -46.7 18.1 0.4 -4.6 102 110 A Q H X S+ 0 0 99 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.890 110.3 49.6 -67.0 -44.2 18.7 1.5 -8.2 103 111 A L H < S+ 0 0 27 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.847 114.4 47.0 -63.3 -34.1 19.4 -2.0 -9.6 104 112 A L H >< S+ 0 0 0 -4,-1.5 3,-1.3 -5,-0.2 -2,-0.2 0.797 97.6 71.3 -76.9 -27.4 16.3 -3.3 -7.9 105 113 A A H 3< S+ 0 0 36 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.740 106.5 37.1 -64.2 -26.5 14.1 -0.4 -9.1 106 114 A T T 3< S+ 0 0 118 -4,-0.7 2,-0.4 -3,-0.4 -1,-0.3 0.356 93.4 109.6-102.0 -0.2 14.2 -1.7 -12.7 107 115 A D <> - 0 0 27 -3,-1.3 4,-2.3 -4,-0.2 5,-0.2 -0.687 61.0-147.4 -87.3 129.5 14.1 -5.4 -11.8 108 116 A E H > S+ 0 0 171 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 0.816 96.8 51.3 -64.9 -39.1 10.8 -7.2 -12.7 109 117 A R H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 114.0 45.5 -63.2 -44.5 10.9 -9.6 -9.8 110 118 A W H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.894 112.5 50.1 -65.1 -40.6 11.4 -6.7 -7.3 111 119 A L H X S+ 0 0 63 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.830 108.9 52.4 -72.1 -32.8 8.7 -4.6 -8.9 112 120 A K H X S+ 0 0 165 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.923 109.1 50.1 -62.2 -47.8 6.3 -7.5 -8.7 113 121 A A H X S+ 0 0 2 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.887 113.9 45.4 -59.6 -40.6 7.0 -7.8 -5.0 114 122 A L H ><>S+ 0 0 2 -4,-2.2 5,-2.1 1,-0.2 3,-0.6 0.915 111.3 52.0 -68.0 -42.3 6.5 -4.1 -4.5 115 123 A A H ><5S+ 0 0 63 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.860 102.8 58.7 -66.6 -34.3 3.2 -4.0 -6.6 116 124 A A H 3<5S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.820 112.3 40.7 -64.2 -30.0 1.7 -6.9 -4.6 117 125 A R T <<5S- 0 0 24 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.362 114.9-118.4 -98.5 2.0 2.1 -4.8 -1.4 118 126 A N T < 5 + 0 0 142 -3,-1.1 2,-0.5 -4,-0.3 -3,-0.2 0.905 58.5 155.3 62.4 47.7 1.0 -1.6 -3.2 119 127 A L < - 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