==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-FEB-06 2CFG . 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, . 1238 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 832 67.2 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 . 428 34.6 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 130 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 10.8 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 . 14 1.1 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 4 4 2 0 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 . 10 4 9 4 4 13 8 5 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 4 0 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 0 123 0, 0.0 4,-0.1 0, 0.0 47,-0.0 0.000 360.0 360.0 360.0 -48.2 59.5 15.9 14.2 2 10 A S > - 0 0 46 1,-0.2 3,-1.8 2,-0.1 227,-0.0 0.247 360.0-176.4 -20.1 87.0 56.3 14.1 15.4 3 11 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 46,-0.1 0.655 84.4 55.0 -66.0 -15.9 56.2 10.7 13.5 4 12 A F T 3 S+ 0 0 47 34,-0.1 -2,-0.1 246,-0.0 3,-0.1 0.257 81.1 129.5 -99.2 9.5 52.7 10.0 15.1 5 13 A R < - 0 0 63 -3,-1.8 222,-0.1 1,-0.1 3,-0.1 -0.211 68.3 -91.4 -59.8 152.9 51.2 13.3 13.9 6 14 A L - 0 0 38 233,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.295 49.3 -92.7 -58.3 147.1 47.8 13.2 12.1 7 15 A A - 0 0 21 234,-0.3 312,-0.6 312,-0.2 2,-0.2 -0.425 44.5-141.2 -58.6 136.8 47.8 12.9 8.3 8 16 A S > - 0 0 56 -2,-0.1 4,-1.8 1,-0.1 3,-0.2 -0.666 21.0-112.7-100.9 157.3 47.7 16.4 6.7 9 17 A A H > S+ 0 0 46 -2,-0.2 4,-2.7 1,-0.2 3,-0.3 0.932 119.7 54.8 -48.5 -48.5 45.8 17.4 3.6 10 18 A G H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.848 104.5 52.5 -56.5 -40.1 49.1 17.9 1.8 11 19 A E H > S+ 0 0 14 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.866 110.8 46.3 -65.3 -40.2 50.2 14.3 2.7 12 20 A I H X S+ 0 0 1 -4,-1.8 4,-2.5 -3,-0.3 -2,-0.2 0.935 112.1 51.4 -68.0 -45.5 47.0 12.8 1.2 13 21 A S H X S+ 0 0 44 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.891 110.7 49.7 -53.5 -40.6 47.4 15.0 -1.9 14 22 A E H X S+ 0 0 105 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.882 107.1 52.4 -72.1 -36.5 50.9 13.8 -2.2 15 23 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.939 111.2 49.0 -58.7 -46.1 49.9 10.1 -1.9 16 24 A Q H X S+ 0 0 16 -4,-2.5 4,-2.2 309,-0.4 -2,-0.2 0.912 112.6 48.0 -56.2 -46.7 47.5 10.9 -4.8 17 25 A G H X S+ 0 0 26 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.886 112.3 47.5 -65.4 -42.5 50.3 12.5 -6.8 18 26 A I H X S+ 0 0 12 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.896 113.5 48.3 -63.6 -43.3 52.7 9.7 -6.2 19 27 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 -5,-0.2 6,-0.7 0.878 113.5 48.1 -65.3 -38.6 50.0 7.1 -7.2 20 28 A R H ><5S+ 0 0 133 -4,-2.2 3,-1.9 4,-0.2 5,-0.2 0.962 110.4 49.6 -66.1 -52.4 49.2 9.1 -10.3 21 29 A T H 3<5S+ 0 0 132 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 110.7 52.5 -56.0 -34.3 52.8 9.5 -11.3 22 30 A A T 3<5S- 0 0 53 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.385 116.1-111.1 -86.6 0.9 53.3 5.8 -10.9 23 31 A G T < 5S+ 0 0 64 -3,-1.9 3,-0.3 -4,-0.2 -3,-0.2 0.622 89.4 109.1 82.7 15.1 50.3 4.7 -13.1 24 32 A L S - 0 0 38 -3,-0.3 3,-1.7 -7,-0.1 -6,-0.0 -0.036 66.6 -79.3 -67.7-179.5 43.9 6.6 -13.5 27 35 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.678 128.7 55.3 -63.3 -21.2 40.3 7.8 -14.0 28 36 A E T 3 S+ 0 0 92 30,-0.0 31,-2.6 2,-0.0 32,-0.3 0.423 90.4 98.4 -90.0 -0.8 38.8 4.3 -13.3 29 37 A K E < -A 58 0A 36 -3,-1.7 2,-0.4 29,-0.2 29,-0.2 -0.660 49.3-174.2 -92.9 148.1 40.5 3.9 -9.9 30 38 A R E -A 57 0A 38 27,-2.6 27,-3.5 -2,-0.3 2,-0.6 -1.000 25.3-126.1-139.2 134.4 38.9 4.7 -6.5 31 39 A I E +A 56 0A 12 292,-3.1 25,-0.2 -2,-0.4 294,-0.1 -0.726 25.7 175.8 -83.6 116.5 40.4 4.7 -3.1 32 40 A A E S+ 0 0 9 23,-2.5 2,-0.3 -2,-0.6 -1,-0.2 0.620 73.6 9.0 -91.3 -21.8 38.4 2.3 -0.8 33 41 A Y E +A 55 0A 10 22,-1.2 22,-2.4 289,-0.1 -1,-0.3 -0.938 61.2 172.5-157.9 140.8 40.9 2.9 2.1 34 42 A L E +A 54 0A 13 -2,-0.3 209,-0.4 20,-0.2 2,-0.3 -0.939 15.0 149.7-149.4 129.3 43.8 5.1 2.9 35 43 A G E -A 53 0A 7 18,-2.1 18,-3.2 -2,-0.3 2,-0.2 -0.991 43.7-104.0-156.3 153.3 45.7 5.5 6.1 36 44 A V E -A 52 0A 35 -2,-0.3 2,-0.3 16,-0.3 16,-0.3 -0.526 36.3-128.6 -73.9 142.8 49.1 6.3 7.5 37 45 A L - 0 0 38 14,-3.1 14,-0.4 -2,-0.2 3,-0.1 -0.695 24.5-110.3 -88.8 148.5 51.2 3.4 8.8 38 46 A D - 0 0 63 -2,-0.3 -34,-0.1 1,-0.1 -1,-0.1 -0.476 43.8 -89.9 -73.2 149.9 52.7 3.6 12.3 39 47 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.237 49.0-102.2 -53.5 146.9 56.5 3.9 12.6 40 48 A A > - 0 0 70 1,-0.1 3,-1.7 -3,-0.1 4,-0.2 -0.290 48.7 -81.0 -66.4 155.3 58.4 0.6 12.7 41 49 A R T 3 S+ 0 0 81 1,-0.3 -1,-0.1 2,-0.1 499,-0.0 -0.409 118.3 12.4 -56.4 128.8 59.8 -0.7 16.0 42 50 A G T > S+ 0 0 76 -2,-0.1 3,-0.5 -3,-0.1 -1,-0.3 0.612 87.9 124.5 77.6 16.7 63.0 1.1 16.9 43 51 A A G X + 0 0 34 -3,-1.7 3,-0.9 1,-0.2 -2,-0.1 0.563 42.9 93.3 -85.0 -10.0 62.6 3.8 14.2 44 52 A G G 3 S+ 0 0 81 1,-0.2 -1,-0.2 -4,-0.2 4,-0.1 0.804 83.7 51.9 -52.4 -36.2 62.9 6.7 16.6 45 53 A S G < S+ 0 0 119 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.1 0.763 103.9 68.1 -74.6 -29.4 66.7 7.1 16.1 46 54 A E S < S- 0 0 151 -3,-0.9 3,-0.1 -4,-0.2 -4,-0.0 -0.397 98.1 -86.2 -83.7 167.2 66.3 7.2 12.3 47 55 A A - 0 0 90 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.297 58.8 -80.8 -67.6 158.0 64.7 10.0 10.2 48 56 A E - 0 0 94 -4,-0.1 2,-0.3 -47,-0.0 -1,-0.1 -0.255 38.2-174.3 -59.3 141.8 61.0 10.0 9.6 49 57 A D - 0 0 60 -3,-0.1 2,-0.7 23,-0.1 -1,-0.0 -0.795 10.0-161.3-135.7 96.2 59.4 7.9 6.9 50 58 A R - 0 0 10 -2,-0.3 21,-2.0 -11,-0.1 22,-1.1 -0.714 16.5-176.5 -75.6 111.3 55.7 8.7 6.6 51 59 A R E - B 0 70A 95 -2,-0.7 -14,-3.1 -14,-0.4 2,-0.4 -0.892 10.3-158.0-113.2 144.6 54.2 5.7 4.8 52 60 A F E -AB 36 69A 1 17,-2.5 17,-2.7 -2,-0.4 2,-0.4 -0.948 7.2-145.5-123.6 141.1 50.6 5.3 3.7 53 61 A R E -AB 35 68A 3 -18,-3.2 -18,-2.1 -2,-0.4 2,-0.4 -0.906 21.0-174.4-107.0 136.0 48.6 2.2 2.9 54 62 A V E -AB 34 67A 0 13,-2.8 13,-2.7 -2,-0.4 2,-0.6 -0.988 21.8-155.8-135.7 134.6 46.0 2.3 0.2 55 63 A F E -AB 33 66A 0 -22,-2.4 -23,-2.5 -2,-0.4 -22,-1.2 -0.973 22.6-161.1-105.9 119.9 43.4 -0.1 -1.1 56 64 A I E -AB 31 65A 1 9,-2.5 9,-2.1 -2,-0.6 2,-0.3 -0.918 2.8-160.8-109.9 122.5 42.5 0.9 -4.7 57 65 A H E -A 30 0A 15 -27,-3.5 -27,-2.6 -2,-0.5 2,-0.5 -0.676 9.4-142.2 -95.5 152.0 39.3 -0.3 -6.4 58 66 A D E > -A 29 0A 11 4,-0.5 3,-1.3 -2,-0.3 -29,-0.2 -0.964 4.1-160.5-120.2 117.8 38.8 -0.4 -10.2 59 67 A V T 3 S+ 0 0 44 -31,-2.6 -30,-0.1 -2,-0.5 -1,-0.1 0.649 88.7 65.1 -71.4 -16.2 35.3 0.5 -11.5 60 68 A S T 3 S- 0 0 83 -32,-0.3 -1,-0.2 115,-0.0 -31,-0.1 0.502 121.8 -99.3 -85.3 -5.5 35.9 -1.2 -14.8 61 69 A G S < S+ 0 0 52 -3,-1.3 -2,-0.1 1,-0.3 114,-0.1 0.421 75.9 139.1 104.7 1.1 36.1 -4.7 -13.2 62 70 A A - 0 0 47 1,-0.1 -4,-0.5 -5,-0.0 -1,-0.3 -0.291 64.8 -82.3 -68.6 163.3 39.9 -5.1 -13.0 63 71 A R - 0 0 130 -6,-0.1 -1,-0.1 1,-0.1 20,-0.1 -0.365 47.3-116.2 -70.4 143.7 41.4 -6.6 -9.8 64 72 A P - 0 0 14 0, 0.0 18,-3.1 0, 0.0 2,-0.3 -0.320 28.7-140.4 -75.5 165.3 41.9 -4.2 -6.8 65 73 A Q E -BC 56 81A 34 -9,-2.1 -9,-2.5 16,-0.2 2,-0.5 -0.923 9.5-143.8-127.1 150.9 45.4 -3.5 -5.5 66 74 A E E -BC 55 80A 47 14,-2.4 14,-2.4 -2,-0.3 2,-0.4 -0.982 30.6-178.5-109.3 128.9 47.0 -3.0 -2.1 67 75 A V E -BC 54 79A 0 -13,-2.7 -13,-2.8 -2,-0.5 2,-0.5 -0.973 21.7-158.8-131.8 138.2 49.7 -0.3 -2.2 68 76 A T E -BC 53 78A 16 10,-2.4 9,-2.1 -2,-0.4 10,-1.6 -0.985 19.0-169.7-114.6 130.5 52.1 1.2 0.3 69 77 A V E -BC 52 76A 0 -17,-2.7 -17,-2.5 -2,-0.5 2,-0.7 -0.906 21.6-140.6-118.9 142.1 53.5 4.6 -0.5 70 78 A S E >> -BC 51 75A 0 5,-2.7 5,-1.5 -2,-0.3 4,-1.2 -0.912 16.2-176.6 -97.2 106.6 56.3 6.7 1.1 71 79 A V T 45S+ 0 0 20 -21,-2.0 -20,-0.1 -2,-0.7 -1,-0.1 0.815 82.6 57.8 -74.2 -28.0 55.1 10.3 1.1 72 80 A T T 45S+ 0 0 62 -22,-1.1 -1,-0.2 1,-0.2 -21,-0.1 0.955 118.5 29.5 -58.6 -51.7 58.5 11.4 2.5 73 81 A N T 45S- 0 0 106 -23,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.485 103.6-123.9 -94.3 -5.6 60.4 10.0 -0.4 74 82 A G T <5 + 0 0 40 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.801 68.7 122.1 67.2 33.2 57.7 10.3 -3.1 75 83 A T E < -C 70 0A 60 -5,-1.5 -5,-2.7 -53,-0.0 2,-0.6 -0.830 67.5-118.1-126.6 160.7 57.9 6.7 -4.0 76 84 A V E -C 69 0A 48 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.894 24.6-174.6 -91.9 120.1 55.8 3.5 -4.3 77 85 A I E - 0 0 70 -9,-2.1 2,-0.3 -2,-0.6 -8,-0.2 0.905 67.4 -7.0 -77.5 -51.2 57.2 0.9 -1.8 78 86 A S E -C 68 0A 53 -10,-1.6 -10,-2.4 2,-0.0 2,-0.3 -0.996 53.9-175.1-149.3 146.6 54.9 -2.0 -2.8 79 87 A A E +C 67 0A 45 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.951 12.9 178.8-145.6 124.8 51.9 -2.6 -5.1 80 88 A V E -C 66 0A 82 -14,-2.4 -14,-2.4 -2,-0.3 2,-0.3 -0.993 27.2-126.7-134.9 131.9 50.2 -6.0 -5.2 81 89 A E E -C 65 0A 125 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.599 30.5-138.2 -75.5 133.4 47.1 -7.2 -7.2 82 90 A L - 0 0 11 -18,-3.1 2,-0.8 -2,-0.3 3,-0.1 -0.764 10.1-151.6 -98.0 139.0 44.5 -8.8 -4.9 83 91 A D >> - 0 0 78 -2,-0.4 4,-2.3 1,-0.1 3,-1.2 -0.901 16.0-168.8-102.1 99.1 42.5 -11.9 -5.7 84 92 A T H 3> S+ 0 0 10 -2,-0.8 4,-1.8 1,-0.3 57,-0.2 0.758 79.0 66.2 -68.6 -27.9 39.3 -11.1 -3.7 85 93 A A H 34 S+ 0 0 62 56,-0.2 -1,-0.3 55,-0.2 4,-0.1 0.849 115.2 32.5 -57.6 -33.1 37.8 -14.6 -3.9 86 94 A A H <4 S+ 0 0 60 -3,-1.2 -2,-0.2 2,-0.1 468,-0.2 0.932 133.3 23.1 -88.0 -55.9 40.8 -15.7 -1.8 87 95 A T H < S- 0 0 61 -4,-2.3 462,-0.4 1,-0.2 -3,-0.2 0.561 113.2 -93.5 -98.5 -8.3 41.6 -12.8 0.6 88 96 A G < - 0 0 0 -4,-1.8 -1,-0.2 -5,-0.3 464,-0.2 -0.219 37.9 -76.7 114.5 154.5 38.4 -10.8 0.7 89 97 A E - 0 0 11 462,-2.6 462,-0.5 1,-0.1 3,-0.1 -0.467 52.8 -98.0 -79.7 157.8 36.6 -7.9 -1.0 90 98 A L - 0 0 1 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.275 54.9 -77.2 -67.2 160.7 37.6 -4.3 -0.3 91 99 A P - 0 0 3 0, 0.0 203,-0.2 0, 0.0 -1,-0.1 -0.191 61.7 -81.8 -54.3 152.1 35.5 -2.2 2.1 92 100 A V - 0 0 1 201,-2.3 2,-0.4 -3,-0.1 38,-0.0 -0.325 49.3-127.9 -56.9 135.8 32.1 -0.9 1.0 93 101 A L > - 0 0 6 1,-0.1 3,-1.9 -3,-0.1 4,-0.5 -0.747 8.4-127.4 -91.5 136.1 32.5 2.4 -1.0 94 102 A E G > S+ 0 0 86 -2,-0.4 3,-1.5 1,-0.3 4,-0.2 0.867 110.4 56.7 -36.5 -50.0 30.6 5.5 -0.1 95 103 A E G 3 S+ 0 0 66 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.595 95.6 63.0 -71.4 -14.2 29.4 5.7 -3.7 96 104 A E G <> S+ 0 0 9 -3,-1.9 4,-0.8 1,-0.2 3,-0.4 0.583 79.0 89.0 -82.6 -10.3 27.8 2.3 -3.7 97 105 A F T <4 S+ 0 0 64 -3,-1.5 4,-0.4 -4,-0.5 -1,-0.2 0.819 94.7 36.7 -56.9 -37.1 25.3 3.4 -1.0 98 106 A E T > S+ 0 0 110 -3,-0.4 4,-2.2 -4,-0.2 -1,-0.2 0.675 100.3 79.7 -86.9 -22.0 22.8 4.6 -3.6 99 107 A V H > S+ 0 0 13 -3,-0.4 4,-2.1 -4,-0.3 5,-0.3 0.777 84.9 56.5 -65.5 -32.9 23.5 1.8 -6.2 100 108 A V H X S+ 0 0 0 -4,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.965 113.7 40.0 -66.5 -47.8 21.4 -1.0 -4.6 101 109 A E H > S+ 0 0 49 25,-0.4 4,-1.7 -4,-0.4 -2,-0.2 0.922 114.8 53.4 -63.5 -46.7 18.2 1.1 -4.6 102 110 A Q H < S+ 0 0 108 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.863 112.6 42.7 -58.9 -41.0 18.9 2.6 -8.1 103 111 A L H >< S+ 0 0 34 -4,-2.1 3,-1.0 1,-0.2 4,-0.2 0.886 112.8 52.5 -75.2 -39.1 19.4 -0.8 -9.7 104 112 A L H >< S+ 0 0 0 -4,-2.0 3,-1.4 -5,-0.3 7,-0.2 0.799 94.5 71.9 -66.2 -28.4 16.4 -2.4 -8.0 105 113 A A T 3< S+ 0 0 36 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.678 105.7 36.7 -68.9 -17.4 14.1 0.4 -9.1 106 114 A T T < S+ 0 0 118 -3,-1.0 2,-0.4 -4,-0.3 -1,-0.3 0.269 91.4 110.7-112.8 9.1 14.1 -0.8 -12.8 107 115 A D <> - 0 0 25 -3,-1.4 4,-2.6 -4,-0.2 5,-0.2 -0.736 62.1-145.4 -86.0 130.2 14.2 -4.5 -12.0 108 116 A E H > S+ 0 0 171 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.818 97.7 51.5 -67.4 -35.5 11.0 -6.4 -12.9 109 117 A R H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.934 112.9 45.7 -64.4 -46.7 11.1 -8.8 -10.0 110 118 A W H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.935 113.0 49.9 -61.8 -47.3 11.6 -6.0 -7.5 111 119 A L H X S+ 0 0 63 -4,-2.6 4,-2.6 -7,-0.2 -1,-0.2 0.856 108.7 53.1 -61.5 -36.3 8.8 -4.0 -9.0 112 120 A K H X S+ 0 0 165 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.914 108.8 49.7 -63.5 -43.5 6.5 -7.0 -8.9 113 121 A A H X S+ 0 0 4 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.883 113.5 45.7 -62.7 -40.5 7.2 -7.4 -5.2 114 122 A L H ><>S+ 0 0 3 -4,-2.2 5,-2.1 1,-0.2 3,-1.0 0.913 110.2 53.0 -71.3 -41.7 6.5 -3.7 -4.6 115 123 A A H ><5S+ 0 0 65 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.865 102.9 59.1 -62.4 -34.0 3.3 -3.7 -6.7 116 124 A A H 3<5S+ 0 0 61 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.770 111.6 41.0 -62.7 -25.6 2.0 -6.7 -4.6 117 125 A R T <<5S- 0 0 23 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.268 113.8-118.2-105.4 4.9 2.3 -4.6 -1.5 118 126 A N T < 5 + 0 0 147 -3,-1.2 2,-0.5 -4,-0.2 -3,-0.2 0.884 60.3 154.6 56.9 44.4 0.9 -1.4 -3.2 119 127 A L < - 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