==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-JUL-04 1WMN . COMPND 2 MOLECULE: PHENYLETHYLAMINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER GLOBIFORMIS; . AUTHOR T.OKAJIMA,S.KISHISHITA,Y.C.CHIU,T.MURAKAWA,M.KIM, . 1240 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 830 66.9 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 . 140 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.2 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 0 0 1 2 0 1 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 . 12 4 9 6 7 7 8 6 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 2 2 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 91 0, 0.0 225,-0.1 0, 0.0 226,-0.1 0.000 360.0 360.0 360.0-148.1 13.9 16.5 56.5 2 10 A S > - 0 0 42 224,-0.2 3,-1.8 1,-0.1 227,-0.0 -0.400 360.0-101.5 -84.7 171.0 13.0 12.9 57.5 3 11 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 46,-0.0 0.395 121.3 65.5 -73.3 5.1 14.7 9.9 56.0 4 12 A F T 3 S+ 0 0 43 34,-0.1 3,-0.1 2,-0.0 246,-0.1 0.350 74.1 124.0-105.4 1.4 11.5 9.7 53.9 5 13 A R S < S- 0 0 54 -3,-1.8 222,-0.1 1,-0.1 2,-0.1 -0.165 72.0 -90.9 -62.6 156.6 12.0 12.9 52.0 6 14 A L - 0 0 42 1,-0.1 -1,-0.1 233,-0.1 234,-0.1 -0.405 51.5 -91.9 -67.4 145.8 12.0 12.9 48.2 7 15 A A - 0 0 22 234,-0.3 312,-0.4 312,-0.2 2,-0.2 -0.306 42.8-134.7 -59.6 138.5 15.4 12.5 46.4 8 16 A S > - 0 0 68 1,-0.1 4,-1.7 -3,-0.1 3,-0.3 -0.610 17.7-118.5 -94.5 156.3 17.1 15.8 45.7 9 17 A A H > S+ 0 0 42 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.918 118.6 58.2 -58.1 -37.5 18.7 16.7 42.4 10 18 A G H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.845 102.9 49.8 -60.4 -38.1 21.8 17.1 44.5 11 19 A E H > S+ 0 0 20 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.857 110.7 50.3 -70.7 -34.2 21.6 13.5 45.8 12 20 A I H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.934 112.3 46.8 -66.8 -47.0 21.2 12.3 42.2 13 21 A S H X S+ 0 0 49 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.932 110.7 53.0 -59.0 -46.0 24.3 14.3 41.1 14 22 A E H X S+ 0 0 95 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.803 108.1 50.4 -60.2 -31.9 26.2 13.0 44.1 15 23 A V H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.2 -1,-0.2 0.889 108.8 52.8 -71.8 -40.9 25.3 9.4 43.1 16 24 A Q H X S+ 0 0 19 -4,-2.1 4,-2.5 309,-0.4 5,-0.3 0.949 110.5 47.1 -58.5 -50.5 26.6 10.2 39.6 17 25 A G H X S+ 0 0 22 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.961 110.6 50.4 -56.4 -55.2 29.9 11.4 41.0 18 26 A I H X S+ 0 0 16 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.875 113.8 47.0 -51.5 -42.2 30.4 8.5 43.3 19 27 A L H <>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 6,-0.6 0.953 113.6 43.7 -67.4 -53.7 29.8 6.1 40.4 20 28 A R H ><5S+ 0 0 135 -4,-2.5 3,-2.3 4,-0.3 -2,-0.2 0.949 113.1 54.9 -58.2 -45.1 32.0 7.7 37.8 21 29 A T H 3<5S+ 0 0 122 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.846 106.4 50.1 -56.6 -39.0 34.7 8.1 40.4 22 30 A A T 3<5S- 0 0 53 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.380 120.6-111.5 -82.5 6.7 34.5 4.3 41.2 23 31 A G T < 5S+ 0 0 63 -3,-2.3 3,-0.3 -4,-0.1 -3,-0.2 0.696 88.5 118.6 71.9 20.3 34.9 3.7 37.5 24 32 A L < + 0 0 19 -5,-2.9 -4,-0.3 -6,-0.2 2,-0.2 0.592 64.7 56.5 -93.6 -9.4 31.3 2.4 37.4 25 33 A L + 0 0 27 -6,-0.6 -1,-0.2 -5,-0.2 -5,-0.1 -0.435 69.6 155.5-123.7 59.9 30.0 5.0 34.9 26 34 A G > - 0 0 33 -3,-0.3 3,-2.0 -2,-0.2 -6,-0.0 -0.136 61.9 -84.6 -73.4-180.0 32.1 4.9 31.7 27 35 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 32,-0.0 0.658 129.6 48.6 -60.3 -23.0 30.9 6.1 28.2 28 36 A E T 3 S+ 0 0 83 30,-0.1 31,-3.2 2,-0.0 32,-0.3 0.377 94.0 96.9 -97.5 -0.6 29.3 2.7 27.5 29 37 A K E < -A 58 0A 34 -3,-2.0 2,-0.4 29,-0.2 29,-0.2 -0.727 50.1-175.5 -93.9 142.3 27.4 2.6 30.8 30 38 A R E -A 57 0A 32 27,-2.6 27,-3.5 -2,-0.3 2,-0.8 -0.999 28.8-122.4-136.9 136.6 23.8 3.7 31.2 31 39 A I E +A 56 0A 11 292,-3.1 25,-0.2 -2,-0.4 294,-0.1 -0.713 27.8 178.8 -80.9 110.1 21.7 3.9 34.3 32 40 A A E S+ 0 0 9 23,-2.6 2,-0.3 -2,-0.8 -1,-0.2 0.679 71.5 2.5 -83.3 -22.7 18.7 1.6 33.7 33 41 A Y E +A 55 0A 10 22,-1.1 22,-2.5 290,-0.1 -1,-0.3 -0.933 61.9 173.4-163.1 143.6 17.2 2.3 37.2 34 42 A L E +A 54 0A 12 -2,-0.3 209,-0.5 20,-0.2 2,-0.3 -0.943 13.5 151.8-155.3 132.6 18.1 4.5 40.2 35 43 A G E -A 53 0A 7 18,-2.1 18,-2.8 -2,-0.3 207,-0.1 -0.969 43.6-100.3-164.1 147.2 16.2 5.1 43.3 36 44 A V E -A 52 0A 37 -2,-0.3 2,-0.3 16,-0.2 16,-0.3 -0.275 39.4-124.0 -65.8 148.6 16.6 6.0 47.0 37 45 A L - 0 0 47 14,-2.5 14,-0.3 1,-0.0 -1,-0.1 -0.752 23.3-114.7 -94.9 146.4 16.4 3.1 49.5 38 46 A D - 0 0 69 -2,-0.3 -34,-0.1 1,-0.1 -1,-0.0 -0.515 42.4 -89.6 -78.5 150.7 13.9 3.2 52.4 39 47 A P - 0 0 48 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.289 50.0-113.9 -57.2 140.5 15.3 3.4 56.0 40 48 A A - 0 0 76 1,-0.2 -3,-0.0 -3,-0.1 2,-0.0 -0.271 49.2 -64.5 -72.7 168.0 15.8 -0.2 57.3 41 49 A R S S+ 0 0 85 -2,-0.0 2,-0.3 1,-0.0 -1,-0.2 -0.256 88.2 86.7 -56.1 133.3 13.7 -1.5 60.3 42 50 A G - 0 0 64 -3,-0.1 -1,-0.0 1,-0.1 0, 0.0 -0.984 52.6-141.8 167.8-163.4 14.2 0.3 63.5 43 51 A A S S+ 0 0 94 -2,-0.3 2,-1.2 0, 0.0 -1,-0.1 0.181 90.3 47.8-153.6 -69.1 13.2 3.2 65.8 44 52 A G S S+ 0 0 62 1,-0.1 2,-0.8 2,-0.1 3,-0.2 -0.112 76.4 121.7 -80.7 42.4 16.0 4.9 67.7 45 53 A S + 0 0 88 -2,-1.2 -1,-0.1 1,-0.2 -3,-0.0 -0.668 21.4 156.0-107.0 75.7 18.2 5.1 64.6 46 54 A E + 0 0 158 -2,-0.8 2,-1.2 2,-0.1 -1,-0.2 0.712 45.6 99.7 -71.2 -23.2 18.8 8.8 64.3 47 55 A A S S- 0 0 97 -3,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.546 71.3-147.7 -69.6 99.0 22.0 8.2 62.3 48 56 A E - 0 0 72 -2,-1.2 2,-0.5 -9,-0.0 -2,-0.1 -0.518 20.9-178.2 -76.7 131.0 20.7 8.8 58.7 49 57 A D - 0 0 61 -2,-0.3 2,-0.8 23,-0.1 -2,-0.0 -0.850 11.0-160.6-129.6 91.7 22.2 6.9 55.8 50 58 A R + 0 0 8 -2,-0.5 21,-2.4 -14,-0.1 22,-1.0 -0.659 19.9 179.6 -75.6 109.1 20.7 7.9 52.5 51 59 A R E - B 0 70A 92 -2,-0.8 -14,-2.5 -14,-0.3 2,-0.4 -0.794 14.9-156.3-110.9 156.7 21.5 5.1 50.1 52 60 A F E -AB 36 69A 1 17,-2.4 17,-2.6 -2,-0.3 2,-0.4 -0.975 7.6-144.8-133.5 141.6 20.5 4.7 46.4 53 61 A R E -AB 35 68A 7 -18,-2.8 -18,-2.1 -2,-0.4 2,-0.3 -0.895 21.2-174.2-106.7 139.0 20.2 1.5 44.4 54 62 A V E -AB 34 67A 0 13,-2.4 13,-2.5 -2,-0.4 2,-0.5 -0.983 21.4-153.4-138.0 142.7 21.3 1.6 40.7 55 63 A F E -AB 33 66A 0 -22,-2.5 -23,-2.6 -2,-0.3 -22,-1.1 -0.992 22.8-158.4-113.2 119.2 21.1 -0.9 37.8 56 64 A I E -AB 31 65A 1 9,-3.1 9,-1.9 -2,-0.5 2,-0.2 -0.920 4.2-161.7-111.1 119.7 23.9 -0.2 35.3 57 65 A H E -A 30 0A 14 -27,-3.5 -27,-2.6 -2,-0.5 2,-0.5 -0.642 8.4-146.0 -92.7 153.6 23.7 -1.3 31.7 58 66 A D E > -A 29 0A 9 4,-0.4 3,-0.8 -29,-0.2 -29,-0.2 -0.943 2.2-159.0-125.5 109.0 26.7 -1.5 29.4 59 67 A V T 3 S+ 0 0 39 -31,-3.2 -30,-0.1 -2,-0.5 -1,-0.1 0.550 89.8 64.3 -61.4 -11.4 26.0 -0.8 25.7 60 68 A S T 3 S- 0 0 76 -32,-0.3 -1,-0.2 2,-0.1 -31,-0.1 0.901 120.7-100.8 -78.3 -42.5 29.1 -2.7 24.6 61 69 A G S < S+ 0 0 51 -3,-0.8 -2,-0.1 1,-0.3 114,-0.1 0.306 73.8 141.3 136.0 -2.4 27.8 -6.0 25.9 62 70 A A - 0 0 50 1,-0.1 -4,-0.4 -5,-0.0 -1,-0.3 -0.301 65.4 -81.6 -66.0 154.3 29.6 -6.3 29.2 63 71 A R - 0 0 117 1,-0.1 -1,-0.1 -6,-0.1 20,-0.1 -0.285 49.5-122.8 -59.9 136.1 27.7 -7.7 32.2 64 72 A P - 0 0 12 0, 0.0 18,-2.8 0, 0.0 2,-0.3 -0.246 25.0-136.6 -73.8 171.8 25.5 -5.2 33.9 65 73 A Q E -BC 56 81A 34 -9,-1.9 -9,-3.1 16,-0.2 2,-0.6 -0.972 11.5-144.6-137.8 149.1 25.8 -4.3 37.6 66 74 A E E -BC 55 80A 45 14,-2.3 14,-2.0 -2,-0.3 2,-0.4 -0.957 31.7-177.1-108.9 117.7 23.6 -3.7 40.6 67 75 A V E -BC 54 79A 0 -13,-2.5 -13,-2.4 -2,-0.6 2,-0.5 -0.951 18.7-163.2-123.9 136.3 25.2 -1.0 42.8 68 76 A T E -BC 53 78A 15 10,-2.1 10,-1.8 -2,-0.4 9,-1.7 -0.968 17.4-175.4-115.8 123.5 24.2 0.5 46.1 69 77 A V E -BC 52 76A 0 -17,-2.6 -17,-2.4 -2,-0.5 2,-0.6 -0.843 23.7-134.4-118.9 156.7 25.8 3.8 47.1 70 78 A S E > -BC 51 75A 1 5,-2.8 5,-1.7 -2,-0.3 -19,-0.3 -0.948 15.1-174.0-110.2 109.4 25.6 5.9 50.2 71 79 A V T > 5S+ 0 0 18 -21,-2.4 3,-1.0 -2,-0.6 -20,-0.1 0.835 84.3 57.6 -71.0 -33.2 25.1 9.6 49.3 72 80 A T T 3 5S+ 0 0 67 -22,-1.0 -1,-0.2 1,-0.3 -21,-0.1 0.857 120.8 28.5 -65.0 -35.4 25.5 10.7 53.0 73 81 A N T 3 5S- 0 0 97 -23,-0.3 -1,-0.3 2,-0.1 -2,-0.2 -0.079 103.0-125.5-117.2 30.5 29.0 9.1 53.1 74 82 A G T < 5 + 0 0 40 -3,-1.0 2,-0.3 1,-0.1 -3,-0.2 0.672 65.3 130.1 27.5 46.3 29.9 9.4 49.4 75 83 A T E < -C 70 0A 68 -5,-1.7 -5,-2.8 -53,-0.0 2,-0.8 -0.814 65.4-122.8-126.4 162.8 30.7 5.7 49.1 76 84 A V E -C 69 0A 53 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.904 27.2-176.6-101.5 104.6 30.0 2.6 47.0 77 85 A I E - 0 0 63 -9,-1.7 2,-0.3 -2,-0.8 -8,-0.2 0.834 66.3 -7.8 -72.4 -35.7 28.5 0.1 49.5 78 86 A S E -C 68 0A 48 -10,-1.8 -10,-2.1 2,-0.0 2,-0.3 -0.980 53.2-175.7-160.2 152.8 28.2 -2.7 47.0 79 87 A A E -C 67 0A 43 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.923 15.0-179.3-153.2 120.1 28.6 -3.4 43.3 80 88 A V E -C 66 0A 81 -14,-2.0 -14,-2.3 -2,-0.3 2,-0.3 -0.984 26.6-126.1-131.2 141.3 27.8 -6.8 41.7 81 89 A E E -C 65 0A 107 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.638 30.0-140.6 -79.5 138.4 27.9 -8.2 38.2 82 90 A L - 0 0 13 -18,-2.8 2,-1.0 -2,-0.3 3,-0.1 -0.785 9.6-147.5-105.9 140.0 24.6 -9.7 37.1 83 91 A D >> - 0 0 72 -2,-0.4 4,-2.9 1,-0.2 3,-1.9 -0.866 18.8-169.8-101.6 90.4 24.3 -12.8 35.1 84 92 A T H 3> S+ 0 0 17 -2,-1.0 4,-2.0 1,-0.3 57,-0.2 0.756 82.3 61.6 -55.4 -29.9 21.2 -11.7 33.2 85 93 A A H 34 S+ 0 0 60 2,-0.2 -1,-0.3 55,-0.1 469,-0.2 0.786 116.6 33.8 -67.4 -24.8 20.6 -15.1 31.8 86 94 A A H <4 S+ 0 0 64 -3,-1.9 -2,-0.2 2,-0.1 468,-0.2 0.904 134.8 22.3 -92.9 -54.7 20.2 -16.2 35.4 87 95 A T H < S- 0 0 61 -4,-2.9 462,-0.3 1,-0.2 -3,-0.2 0.488 113.1-100.9 -96.7 -3.2 18.6 -13.3 37.1 88 96 A G < - 0 0 2 -4,-2.0 -1,-0.2 -5,-0.4 464,-0.2 -0.065 39.8 -68.6 100.7 155.8 17.0 -11.5 34.2 89 97 A E - 0 0 11 462,-2.4 462,-0.4 460,-0.1 464,-0.1 -0.373 53.7-100.2 -78.5 158.8 17.7 -8.5 32.0 90 98 A L - 0 0 0 1,-0.2 -1,-0.1 460,-0.1 3,-0.1 -0.253 55.5 -71.0 -73.8 163.3 17.7 -4.9 33.2 91 99 A P - 0 0 2 0, 0.0 203,-0.2 0, 0.0 -1,-0.2 -0.234 61.2 -91.1 -55.9 145.0 14.7 -2.5 32.6 92 100 A V - 0 0 1 201,-2.1 2,-0.4 -3,-0.1 38,-0.0 -0.341 43.7-127.6 -58.6 130.0 14.2 -1.4 29.0 93 101 A L > - 0 0 7 1,-0.1 3,-2.0 -3,-0.1 4,-0.4 -0.711 7.6-130.8 -84.2 136.8 16.0 1.9 28.4 94 102 A E T > S+ 0 0 91 -2,-0.4 3,-1.6 1,-0.3 4,-0.4 0.864 108.8 59.2 -53.0 -37.3 14.0 4.8 27.0 95 103 A E T 3> S+ 0 0 60 1,-0.3 4,-0.6 2,-0.2 3,-0.5 0.707 94.7 63.4 -66.9 -20.6 16.8 5.4 24.5 96 104 A E H <> S+ 0 0 9 -3,-2.0 4,-0.9 1,-0.2 -1,-0.3 0.586 82.7 83.4 -79.8 -8.2 16.4 1.8 23.1 97 105 A F H <4 S+ 0 0 33 -3,-1.6 4,-0.5 -4,-0.4 3,-0.2 0.877 93.0 41.6 -62.1 -42.4 12.9 2.7 22.0 98 106 A E H >> S+ 0 0 88 -3,-0.5 4,-1.9 -4,-0.4 3,-0.7 0.848 100.3 76.3 -74.1 -33.6 14.0 4.3 18.7 99 107 A V H 3X S+ 0 0 16 -4,-0.6 4,-2.8 1,-0.2 5,-0.3 0.816 85.7 58.4 -47.6 -46.2 16.5 1.6 18.0 100 108 A V H 3X S+ 0 0 0 -4,-0.9 4,-1.9 -3,-0.2 -1,-0.2 0.911 111.1 41.5 -55.1 -45.8 14.0 -1.1 16.9 101 109 A E H <> S+ 0 0 51 -3,-0.7 4,-2.2 -4,-0.5 -1,-0.2 0.901 114.7 52.5 -68.5 -43.0 12.6 1.0 14.1 102 110 A Q H < S+ 0 0 118 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.930 112.2 43.2 -59.6 -50.4 16.1 2.3 13.0 103 111 A L H >< S+ 0 0 27 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.908 114.3 51.8 -62.8 -43.4 17.7 -1.2 12.8 104 112 A L H >< S+ 0 0 0 -4,-1.9 3,-2.5 -5,-0.3 7,-0.3 0.863 94.3 71.4 -62.6 -36.7 14.6 -2.5 10.9 105 113 A A T 3< S+ 0 0 37 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.681 105.4 39.5 -55.2 -21.0 14.6 0.3 8.4 106 114 A T T < S+ 0 0 113 -3,-1.2 2,-0.6 -4,-0.4 -1,-0.3 0.206 88.7 109.7-114.3 12.0 17.8 -1.2 6.8 107 115 A D <> - 0 0 21 -3,-2.5 4,-3.0 1,-0.1 5,-0.2 -0.805 60.0-149.0 -92.2 127.9 16.8 -4.9 7.1 108 116 A E H > S+ 0 0 165 -2,-0.6 4,-2.4 2,-0.2 -1,-0.1 0.803 97.0 54.1 -64.5 -33.8 16.1 -6.4 3.7 109 117 A R H > S+ 0 0 111 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.919 113.5 43.7 -65.6 -43.1 13.5 -8.9 5.1 110 118 A W H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.955 115.0 47.8 -64.9 -52.7 11.7 -6.0 6.7 111 119 A L H X S+ 0 0 60 -4,-3.0 4,-2.4 -7,-0.3 -2,-0.2 0.865 110.8 52.3 -57.9 -36.9 12.0 -3.8 3.6 112 120 A K H X S+ 0 0 161 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.3 0.897 109.5 50.8 -66.2 -39.1 10.8 -6.8 1.5 113 121 A A H X S+ 0 0 4 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.934 112.0 45.2 -64.3 -44.9 7.8 -7.1 3.9 114 122 A L H <>S+ 0 0 3 -4,-2.7 5,-2.7 1,-0.2 3,-0.3 0.886 110.2 55.5 -66.9 -37.3 6.9 -3.4 3.6 115 123 A A H ><5S+ 0 0 63 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.885 102.8 54.6 -63.5 -41.1 7.3 -3.5 -0.2 116 124 A A H 3<5S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.822 114.0 42.9 -63.0 -28.0 4.9 -6.3 -0.6 117 125 A R T 3<5S- 0 0 21 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.389 111.2-123.3 -98.1 -0.2 2.4 -4.1 1.3 118 126 A N T < 5 + 0 0 147 -3,-1.1 2,-0.5 -4,-0.3 -3,-0.2 0.832 57.8 153.1 59.8 38.2 3.3 -1.0 -0.6 119 127 A L < - 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