==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-APR-13 3WA3 . COMPND 2 MOLECULE: PHENYLETHYLAMINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER GLOBIFORMIS; . AUTHOR T.MURAKAWA,H.HAYASHI,T.SUNAMI,K.KURIHARA,T.TAMADA,R.KUROKI,M . 1242 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 815 65.6 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 . 419 33.7 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 . 134 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 10.4 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 5 3 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 . 15 4 10 6 6 8 7 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 . 2 4 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 0 108 0, 0.0 225,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.7 183.0 18.2 48.5 2 10 A S > - 0 0 45 1,-0.1 3,-1.8 224,-0.1 46,-0.0 -0.534 360.0-142.6 -75.7 133.1 181.4 15.2 50.2 3 11 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 46,-0.0 0.671 101.9 59.8 -67.3 -11.3 181.0 12.1 48.0 4 12 A F T 3 S+ 0 0 42 34,-0.1 3,-0.1 236,-0.0 246,-0.1 0.325 76.6 127.1 -96.1 7.4 177.7 11.6 49.8 5 13 A R S < S- 0 0 55 -3,-1.8 222,-0.1 1,-0.1 3,-0.1 -0.214 70.4 -93.1 -59.6 154.1 176.1 14.9 48.7 6 14 A L - 0 0 38 233,-0.1 -1,-0.1 1,-0.1 234,-0.1 -0.356 50.6 -90.9 -62.8 147.2 172.7 14.7 47.0 7 15 A A - 0 0 20 234,-0.3 312,-0.5 312,-0.2 2,-0.3 -0.322 43.8-142.8 -56.1 138.7 172.7 14.6 43.2 8 16 A S > - 0 0 56 1,-0.1 4,-1.7 -3,-0.1 3,-0.4 -0.701 22.6-110.9-101.0 162.1 172.6 18.0 41.7 9 17 A A H > S+ 0 0 46 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.894 118.9 58.1 -54.6 -40.7 170.6 18.9 38.5 10 18 A G H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 102.6 51.7 -60.0 -39.8 173.9 19.4 36.8 11 19 A E H > S+ 0 0 13 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.917 110.1 49.1 -63.5 -42.9 175.0 15.8 37.5 12 20 A I H X S+ 0 0 2 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.930 109.8 52.4 -61.4 -44.8 171.7 14.5 36.1 13 21 A S H X S+ 0 0 52 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.873 108.7 50.6 -59.9 -36.6 172.2 16.7 33.0 14 22 A E H X S+ 0 0 112 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.870 107.3 52.7 -71.7 -37.1 175.7 15.2 32.5 15 23 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.958 108.4 51.1 -59.3 -49.4 174.5 11.7 32.8 16 24 A Q H X S+ 0 0 19 -4,-2.4 4,-2.5 309,-0.4 -2,-0.2 0.933 112.6 47.3 -47.9 -48.7 171.9 12.5 30.0 17 25 A G H X S+ 0 0 25 -4,-2.1 4,-5.1 2,-0.2 5,-0.3 0.889 111.6 48.7 -64.9 -44.4 174.7 13.8 27.9 18 26 A I H X S+ 0 0 12 -4,-2.7 4,-3.1 2,-0.2 6,-0.2 0.943 112.3 48.0 -59.5 -49.0 177.0 10.9 28.5 19 27 A L H <>S+ 0 0 0 -4,-2.9 5,-3.3 -5,-0.2 6,-1.0 0.893 119.4 42.7 -62.1 -38.0 174.2 8.4 27.7 20 28 A R H ><5S+ 0 0 144 -4,-2.5 3,-2.6 -5,-0.3 -2,-0.2 0.982 113.9 47.1 -63.3 -65.3 173.6 10.6 24.6 21 29 A T H 3<5S+ 0 0 140 -4,-5.1 -2,-0.2 1,-0.3 -3,-0.2 0.841 116.8 48.1 -49.7 -34.3 177.3 11.2 23.6 22 30 A A T 3<5S- 0 0 53 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.473 116.4-115.7 -84.1 -7.4 177.8 7.4 24.1 23 31 A G T < 5S+ 0 0 61 -3,-2.6 3,-0.2 -5,-0.2 -3,-0.2 0.650 84.4 108.8 83.8 18.8 174.6 6.5 22.0 24 32 A L < + 0 0 25 -5,-3.3 -4,-0.2 -6,-0.2 2,-0.2 0.385 65.2 64.2-108.0 0.3 172.5 4.8 24.7 25 33 A L S S+ 0 0 16 -6,-1.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.502 70.2 165.5-125.8 63.7 169.8 7.5 25.2 26 34 A G > - 0 0 31 -3,-0.2 3,-0.5 -2,-0.2 -2,-0.1 0.159 56.0 -91.2 -60.7-173.5 168.1 7.4 21.8 27 35 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.723 125.7 51.9 -71.9 -26.0 164.8 9.1 21.1 28 36 A E T 3 S+ 0 0 66 2,-0.0 31,-2.0 30,-0.0 32,-0.4 0.276 88.2 102.7-100.4 8.0 163.0 5.8 21.9 29 37 A K E < -A 58 0A 20 -3,-0.5 2,-0.4 29,-0.2 29,-0.2 -0.562 51.0-161.5 -90.9 155.8 164.6 5.1 25.3 30 38 A R E -A 57 0A 42 27,-2.3 27,-3.6 -2,-0.2 2,-0.6 -0.966 18.0-133.2-136.1 122.9 162.9 5.7 28.7 31 39 A I E +A 56 0A 11 292,-3.0 25,-0.2 -2,-0.4 3,-0.1 -0.662 24.8 177.3 -74.6 118.8 164.9 6.0 31.9 32 40 A A E S+ 0 0 3 23,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.592 70.1 8.8 -95.6 -20.6 163.1 3.7 34.5 33 41 A Y E +A 55 0A 6 22,-1.1 22,-2.4 289,-0.1 -1,-0.4 -0.917 60.7 172.8-159.4 137.2 165.6 4.3 37.3 34 42 A L E +A 54 0A 12 -2,-0.3 209,-0.5 20,-0.2 2,-0.3 -0.966 15.8 151.3-146.5 130.8 168.6 6.7 37.8 35 43 A G E -A 53 0A 6 18,-2.0 18,-2.9 -2,-0.3 2,-0.1 -0.972 44.2-104.5-158.5 150.1 170.5 7.1 41.0 36 44 A V E -A 52 0A 34 -2,-0.3 2,-0.3 16,-0.2 16,-0.3 -0.427 38.9-127.7 -68.4 140.9 174.0 8.1 42.4 37 45 A L - 0 0 35 14,-3.2 14,-0.4 -2,-0.1 3,-0.1 -0.674 22.4-111.9 -86.5 149.6 176.0 5.1 43.6 38 46 A D - 0 0 64 -2,-0.3 -34,-0.1 1,-0.1 -1,-0.1 -0.417 44.4 -87.9 -72.6 158.4 177.5 5.2 47.1 39 47 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.335 48.6-106.3 -65.0 146.3 181.3 5.4 47.4 40 48 A A >> - 0 0 56 1,-0.2 3,-0.8 -3,-0.1 4,-0.5 -0.355 51.3 -74.4 -71.8 158.2 183.1 2.0 47.3 41 49 A R T 34 S- 0 0 73 1,-0.2 2,-0.9 2,-0.1 -1,-0.2 -0.213 112.4 -9.1 -52.5 135.0 184.6 0.7 50.6 42 50 A G T 34 S+ 0 0 72 1,-0.2 3,-0.3 -3,-0.1 -1,-0.2 0.191 100.7 112.8 63.9 -20.0 187.7 2.5 51.6 43 51 A A T X4 + 0 0 64 -2,-0.9 2,-1.5 -3,-0.8 3,-0.5 0.720 53.2 89.6 -54.3 -21.7 187.9 4.3 48.3 44 52 A G T 3< + 0 0 58 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 -0.147 40.8 125.0 -78.4 41.9 187.2 7.5 50.3 45 53 A S T 3 S- 0 0 108 -2,-1.5 -1,-0.2 -3,-0.3 -2,-0.1 0.991 98.0 -60.0 -52.5 -64.5 190.8 8.4 51.0 46 54 A E S < S+ 0 0 183 -3,-0.5 2,-0.3 1,-0.1 -2,-0.1 -0.067 95.3 114.3 176.4 71.5 190.2 11.8 49.4 47 55 A A - 0 0 88 -4,-0.1 -2,-0.1 2,-0.0 -1,-0.1 -0.856 59.0-114.8-161.2 120.4 189.1 11.8 45.7 48 56 A E + 0 0 108 -2,-0.3 2,-0.1 1,-0.1 -46,-0.0 -0.156 43.4 151.5 -53.5 131.2 186.0 12.8 43.6 49 57 A D + 0 0 74 2,-0.0 2,-0.6 23,-0.0 -1,-0.1 -0.474 13.8 177.6-166.4 87.1 184.2 9.9 41.9 50 58 A R + 0 0 6 -2,-0.1 21,-2.0 -11,-0.1 22,-1.1 -0.849 6.9 179.5-103.5 116.8 180.5 10.2 41.3 51 59 A R E - B 0 70A 96 -2,-0.6 -14,-3.2 -14,-0.4 2,-0.4 -0.913 11.3-156.4-119.1 147.1 178.9 7.4 39.4 52 60 A F E -AB 36 69A 1 17,-2.5 17,-2.6 -2,-0.4 2,-0.4 -0.946 6.2-147.4-122.4 139.0 175.3 6.9 38.5 53 61 A R E -AB 35 68A 4 -18,-2.9 -18,-2.0 -2,-0.4 2,-0.4 -0.892 20.6-173.8-104.4 138.1 173.4 3.7 37.8 54 62 A V E -AB 34 67A 0 13,-3.0 13,-3.0 -2,-0.4 2,-0.5 -0.995 21.3-154.8-136.9 137.6 170.6 3.8 35.2 55 63 A F E -AB 33 66A 0 -22,-2.4 -23,-2.8 -2,-0.4 -22,-1.1 -0.962 21.6-162.1-108.4 120.8 168.0 1.3 34.0 56 64 A I E -AB 31 65A 0 9,-3.1 9,-2.2 -2,-0.5 -25,-0.2 -0.925 2.3-160.1-117.0 116.6 166.9 2.2 30.4 57 65 A H E -A 30 0A 14 -27,-3.6 -27,-2.3 -2,-0.5 2,-0.4 -0.520 8.1-144.1 -86.3 157.1 163.7 0.9 28.8 58 66 A D E > -A 29 0A 2 4,-0.3 3,-1.0 -29,-0.2 -29,-0.2 -0.975 9.3-167.9-127.6 118.3 163.0 0.7 25.1 59 67 A V T 3 S+ 0 0 50 -31,-2.0 -30,-0.1 -2,-0.4 -1,-0.1 0.594 84.6 68.6 -82.0 -9.1 159.5 1.4 23.8 60 68 A S T 3 S- 0 0 83 -32,-0.4 -1,-0.2 2,-0.0 -31,-0.1 0.493 119.4-101.9 -85.5 -6.3 160.3 0.1 20.3 61 69 A G S < S+ 0 0 46 -3,-1.0 -2,-0.1 1,-0.3 114,-0.0 0.420 78.6 131.0 103.0 -1.2 160.7 -3.5 21.6 62 70 A A - 0 0 48 1,-0.1 -4,-0.3 -5,-0.0 -1,-0.3 -0.273 68.9 -76.2 -78.2 171.9 164.5 -3.7 21.8 63 71 A R - 0 0 74 -6,-0.1 -1,-0.1 1,-0.1 20,-0.1 -0.432 46.0-123.5 -72.3 142.2 166.2 -5.0 24.9 64 72 A P - 0 0 13 0, 0.0 18,-2.8 0, 0.0 2,-0.4 -0.248 27.4-139.5 -75.0 170.4 166.5 -2.7 27.9 65 73 A Q E -BC 56 81A 26 -9,-2.2 -9,-3.1 16,-0.2 2,-0.5 -0.980 13.5-145.0-136.6 148.2 169.9 -1.9 29.4 66 74 A E E -BC 55 80A 43 14,-2.1 14,-2.6 -2,-0.4 2,-0.4 -0.962 32.5-178.6-103.9 128.0 171.6 -1.4 32.8 67 75 A V E -BC 54 79A 0 -13,-3.0 -13,-3.0 -2,-0.5 2,-0.5 -0.982 20.8-161.2-132.8 136.9 174.2 1.3 32.5 68 76 A T E -BC 53 78A 14 10,-2.6 9,-2.6 -2,-0.4 10,-1.7 -0.988 17.1-172.9-118.1 129.9 176.7 2.8 35.0 69 77 A V E -BC 52 76A 0 -17,-2.6 -17,-2.5 -2,-0.5 2,-0.7 -0.904 22.0-140.5-119.3 140.8 178.2 6.2 34.1 70 78 A S E >> -BC 51 75A 2 5,-3.2 4,-1.5 -2,-0.3 5,-1.2 -0.920 15.8-177.1 -95.6 112.9 181.0 8.3 35.8 71 79 A V T 45S+ 0 0 21 -21,-2.0 -20,-0.1 -2,-0.7 -1,-0.1 0.801 82.1 63.0 -77.3 -26.5 179.9 12.0 35.7 72 80 A T T 45S+ 0 0 56 -22,-1.1 -1,-0.2 1,-0.2 -21,-0.1 0.914 120.1 23.7 -56.0 -43.9 183.2 13.0 37.3 73 81 A N T 45S- 0 0 115 -23,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.539 101.8-123.7-103.9 -13.6 185.0 11.7 34.2 74 82 A G T <5 + 0 0 40 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.782 68.1 125.9 76.3 26.0 182.3 11.8 31.5 75 83 A T E < -C 70 0A 67 -5,-1.2 -5,-3.2 -53,-0.0 2,-0.5 -0.836 65.1-120.0-121.3 154.0 182.6 8.1 30.7 76 84 A V E -C 69 0A 51 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.821 24.2-171.7 -86.7 124.5 180.4 5.0 30.5 77 85 A I E - 0 0 65 -9,-2.6 2,-0.3 -2,-0.5 -8,-0.2 0.852 67.1 -10.7 -88.4 -37.7 181.7 2.5 32.9 78 86 A S E -C 68 0A 48 -10,-1.7 -10,-2.6 2,-0.0 -1,-0.4 -0.971 54.3-172.9-159.6 147.6 179.5 -0.4 31.9 79 87 A A E -C 67 0A 46 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.926 12.8-178.1-148.1 121.1 176.5 -1.0 29.7 80 88 A V E -C 66 0A 62 -14,-2.6 -14,-2.1 -2,-0.3 2,-0.4 -0.969 25.5-129.9-129.0 128.6 174.7 -4.4 29.6 81 89 A E E -C 65 0A 96 -2,-0.4 2,-0.4 -16,-0.2 551,-0.4 -0.667 31.7-137.1 -74.2 132.3 171.7 -5.6 27.5 82 90 A L - 0 0 9 -18,-2.8 2,-0.8 -2,-0.4 3,-0.1 -0.715 10.1-150.0 -96.7 136.7 169.2 -7.2 29.8 83 91 A D >> - 0 0 7 -2,-0.4 4,-2.5 1,-0.1 3,-0.7 -0.907 17.0-165.0 -99.1 105.7 167.3 -10.4 29.1 84 92 A T H 3> S+ 0 0 19 -2,-0.8 4,-1.8 1,-0.3 57,-0.3 0.760 81.3 62.0 -72.3 -26.0 164.1 -9.7 31.1 85 93 A A H 34 S+ 0 0 9 56,-0.2 469,-0.3 55,-0.2 -1,-0.3 0.854 115.9 36.2 -63.6 -35.2 162.7 -13.2 31.1 86 94 A A H <4 S+ 0 0 2 -3,-0.7 468,-0.3 2,-0.1 -2,-0.2 0.959 132.1 21.2 -79.1 -60.5 165.8 -14.1 33.1 87 95 A T H < S- 0 0 21 -4,-2.5 462,-0.4 1,-0.3 -3,-0.2 0.470 111.9 -96.0-101.0 3.2 166.6 -11.1 35.3 88 96 A G < - 0 0 1 -4,-1.8 -1,-0.3 -5,-0.3 464,-0.2 -0.154 38.0 -75.1 107.9 158.0 163.2 -9.3 35.6 89 97 A E - 0 0 12 462,-2.8 462,-0.5 460,-0.1 464,-0.1 -0.482 54.6 -97.6 -83.1 164.0 161.4 -6.4 33.9 90 98 A L - 0 0 2 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.330 53.9 -74.8 -82.0 160.1 162.3 -2.8 34.7 91 99 A P - 0 0 2 0, 0.0 203,-0.2 0, 0.0 -1,-0.2 -0.154 61.8 -84.6 -55.6 152.8 160.4 -0.7 37.2 92 100 A V - 0 0 4 201,-2.2 2,-0.3 -3,-0.1 38,-0.0 -0.326 49.0-127.3 -55.9 135.4 156.9 0.6 36.3 93 101 A L > - 0 0 5 1,-0.1 3,-2.1 -3,-0.1 4,-0.2 -0.688 6.1-131.6 -90.9 142.1 157.3 3.9 34.3 94 102 A E G > S+ 0 0 104 -2,-0.3 3,-2.2 1,-0.3 4,-0.2 0.895 108.4 65.1 -59.1 -33.1 155.4 7.0 35.3 95 103 A E G 3 S+ 0 0 84 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.603 89.8 66.3 -64.9 -11.5 154.3 7.3 31.7 96 104 A E G <> + 0 0 1 -3,-2.1 4,-0.8 1,-0.2 3,-0.4 0.459 69.6 103.6 -89.9 -0.6 152.4 4.0 32.0 97 105 A F T <4 S+ 0 0 152 -3,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.847 95.7 22.2 -40.3 -46.8 149.9 5.7 34.5 98 106 A E T > S+ 0 0 94 -3,-0.5 4,-2.5 -4,-0.2 -1,-0.2 0.501 100.6 90.7-109.1 -5.4 147.3 6.0 31.8 99 107 A V H > S+ 0 0 17 -3,-0.4 4,-2.6 2,-0.2 5,-0.3 0.859 84.6 51.6 -68.5 -39.0 148.3 3.3 29.4 100 108 A V H X S+ 0 0 0 -4,-0.8 4,-2.2 1,-0.2 5,-0.2 0.980 113.7 45.4 -63.8 -51.4 146.3 0.4 30.8 101 109 A E H > S+ 0 0 31 25,-0.6 4,-1.6 -4,-0.3 -2,-0.2 0.897 114.4 49.1 -51.8 -47.3 143.1 2.4 30.8 102 110 A Q H < S+ 0 0 103 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.888 112.0 46.9 -64.6 -42.1 143.8 3.7 27.3 103 111 A L H >< S+ 0 0 23 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.861 114.2 47.9 -67.8 -36.3 144.5 0.2 25.8 104 112 A L H >< S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.3 7,-0.2 0.817 96.6 72.3 -74.5 -27.2 141.4 -1.2 27.5 105 113 A A T 3< S+ 0 0 35 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.701 104.6 38.3 -68.5 -16.0 139.2 1.5 26.4 106 114 A T T < S+ 0 0 116 -3,-0.7 2,-0.4 -4,-0.4 -1,-0.3 0.340 90.2 110.1-111.2 3.9 139.2 0.3 22.8 107 115 A D <> - 0 0 24 -3,-1.6 4,-2.8 -4,-0.2 5,-0.2 -0.678 62.3-145.2 -85.7 128.9 139.2 -3.5 23.5 108 116 A E H > S+ 0 0 141 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.839 98.7 51.1 -65.2 -31.0 135.9 -5.1 22.6 109 117 A R H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 112.7 46.0 -68.6 -44.0 136.0 -7.6 25.5 110 118 A W H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.938 113.3 49.0 -64.1 -48.2 136.6 -4.8 28.0 111 119 A L H X S+ 0 0 43 -4,-2.8 4,-2.6 -7,-0.2 -1,-0.2 0.876 108.8 54.2 -60.3 -36.4 133.9 -2.7 26.4 112 120 A K H X S+ 0 0 162 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.909 108.6 48.6 -64.5 -42.2 131.5 -5.6 26.5 113 121 A A H X S+ 0 0 4 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.891 113.5 46.3 -61.6 -43.2 132.1 -6.1 30.2 114 122 A L H <>S+ 0 0 3 -4,-2.2 5,-2.4 1,-0.2 3,-0.4 0.898 111.0 53.2 -67.0 -39.8 131.5 -2.4 30.9 115 123 A A H ><5S+ 0 0 64 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.867 103.2 56.4 -66.0 -35.2 128.4 -2.3 28.8 116 124 A A H 3<5S+ 0 0 66 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.848 112.6 43.0 -61.8 -30.8 126.9 -5.3 30.7 117 125 A R T 3<5S- 0 0 20 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.336 112.2-121.6 -99.9 5.8 127.3 -3.2 33.9 118 126 A N T < 5 + 0 0 145 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.853 57.8 155.0 56.3 39.8 126.0 0.0 32.2 119 127 A L < - 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