==== 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 2CFK . 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, . 620 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 211 34.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 66 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 5 2 4 2 3 5 5 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 0 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 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 0 125 0, 0.0 47,-0.1 0, 0.0 225,-0.0 0.000 360.0 360.0 360.0 -25.9 14.3 17.5 58.1 2 10 A S > - 0 0 38 1,-0.2 3,-1.6 2,-0.1 227,-0.0 -0.336 360.0-147.6 -65.9 129.2 12.0 14.5 57.1 3 11 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.2 0, 0.0 46,-0.0 0.566 98.6 61.7 -67.6 -7.6 13.8 11.4 55.8 4 12 A F T 3 S+ 0 0 44 34,-0.1 3,-0.1 236,-0.0 -2,-0.1 0.284 76.2 126.6-100.3 8.8 10.7 10.9 53.6 5 13 A R < - 0 0 63 -3,-1.6 222,-0.1 1,-0.1 3,-0.1 -0.236 69.9 -92.3 -63.4 153.0 11.1 14.1 51.6 6 14 A L - 0 0 39 233,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.274 48.8 -92.9 -58.8 149.9 11.1 14.1 47.8 7 15 A A - 0 0 19 234,-0.3 312,-0.6 312,-0.2 2,-0.2 -0.449 44.1-141.6 -62.5 136.2 14.5 13.8 46.1 8 16 A S > - 0 0 56 -2,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.611 21.9-112.1 -97.1 163.5 15.8 17.3 45.2 9 17 A A H > S+ 0 0 46 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.909 119.8 56.5 -58.1 -40.4 17.7 18.3 42.0 10 18 A G H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 103.7 51.1 -59.2 -42.5 20.7 18.8 44.3 11 19 A E H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 110.7 49.0 -64.1 -40.5 20.6 15.2 45.6 12 20 A I H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.942 111.1 48.3 -66.8 -46.4 20.4 13.8 42.1 13 21 A S H X S+ 0 0 47 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.869 111.1 53.6 -60.3 -31.8 23.3 15.9 40.9 14 22 A E H X S+ 0 0 107 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.900 106.2 50.1 -71.3 -38.9 25.2 14.8 44.0 15 23 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.941 110.7 51.7 -58.0 -47.9 24.6 11.1 43.2 16 24 A Q H X S+ 0 0 17 -4,-2.4 4,-2.5 309,-0.4 -2,-0.2 0.923 111.8 46.4 -52.1 -48.7 25.9 11.8 39.7 17 25 A G H X S+ 0 0 26 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.889 111.7 49.5 -66.2 -40.5 29.0 13.4 41.3 18 26 A I H X S+ 0 0 13 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.916 113.3 47.1 -64.2 -42.8 29.6 10.6 43.7 19 27 A L H <>S+ 0 0 1 -4,-2.8 5,-2.5 2,-0.2 6,-0.6 0.913 113.7 48.2 -65.8 -42.6 29.3 8.0 41.0 20 28 A R H ><5S+ 0 0 135 -4,-2.5 3,-1.8 -5,-0.2 5,-0.2 0.952 110.6 50.2 -60.4 -50.8 31.6 10.0 38.7 21 29 A T H 3<5S+ 0 0 132 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.0 52.5 -57.4 -34.6 34.2 10.5 41.4 22 30 A A T 3<5S- 0 0 53 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.415 116.8-111.1 -84.5 -2.1 34.1 6.7 42.1 23 31 A G T < 5S+ 0 0 64 -3,-1.8 3,-0.3 -4,-0.3 -3,-0.2 0.597 89.1 111.2 83.6 14.3 34.7 5.7 38.5 24 32 A L < + 0 0 24 -5,-2.5 -4,-0.2 1,-0.2 -5,-0.1 0.404 69.7 50.8-101.5 -1.2 31.2 4.3 38.0 25 33 A L + 0 0 14 -6,-0.6 -1,-0.2 -5,-0.2 -5,-0.1 -0.285 67.5 152.0-141.3 54.2 29.7 6.9 35.6 26 34 A G > - 0 0 37 -3,-0.3 3,-2.0 -7,-0.1 -6,-0.0 -0.034 66.3 -77.9 -67.8 179.4 32.0 7.4 32.6 27 35 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.687 129.3 54.6 -62.6 -20.8 30.8 8.5 29.2 28 36 A E T 3 S+ 0 0 92 30,-0.1 31,-2.6 2,-0.0 32,-0.3 0.431 90.9 99.3 -90.5 0.2 29.6 5.0 28.2 29 37 A K E < -A 58 0A 36 -3,-2.0 2,-0.4 29,-0.2 29,-0.2 -0.643 49.9-172.7 -93.4 146.1 27.4 4.7 31.3 30 38 A R E -A 57 0A 39 27,-2.7 27,-3.3 -2,-0.3 2,-0.7 -1.000 24.8-126.4-136.2 136.6 23.6 5.4 31.4 31 39 A I E +A 56 0A 11 292,-3.0 25,-0.2 -2,-0.4 294,-0.1 -0.729 27.7 173.4 -83.4 113.3 21.3 5.6 34.4 32 40 A A E S+ 0 0 7 23,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.645 72.9 9.0 -89.4 -23.5 18.4 3.1 33.8 33 41 A Y E +A 55 0A 11 22,-1.1 22,-2.3 290,-0.1 -1,-0.3 -0.942 61.8 172.0-157.1 138.7 16.9 3.6 37.2 34 42 A L E +A 54 0A 16 -2,-0.3 209,-0.4 20,-0.2 2,-0.3 -0.942 15.9 148.5-148.1 128.0 17.6 6.0 40.1 35 43 A G E -A 53 0A 7 18,-2.0 18,-3.1 -2,-0.3 2,-0.2 -0.990 44.5-102.5-157.2 155.5 15.5 6.4 43.3 36 44 A V E -A 52 0A 38 -2,-0.3 2,-0.3 16,-0.2 16,-0.3 -0.489 36.5-129.0 -74.4 143.8 15.8 7.2 47.0 37 45 A L - 0 0 42 14,-3.3 14,-0.4 -2,-0.2 3,-0.1 -0.735 23.4-112.3 -90.7 145.6 15.7 4.3 49.5 38 46 A D - 0 0 61 -2,-0.3 -34,-0.1 1,-0.1 -1,-0.1 -0.436 43.4 -92.2 -67.7 151.2 13.3 4.4 52.4 39 47 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.335 47.5-102.4 -61.1 147.9 14.8 4.6 55.8 40 48 A A > - 0 0 67 1,-0.1 3,-1.7 -3,-0.1 4,-0.2 -0.278 48.9 -80.1 -63.9 156.2 15.5 1.3 57.6 41 49 A R T 3 S+ 0 0 77 1,-0.3 -1,-0.1 2,-0.1 499,-0.0 -0.396 118.8 12.9 -55.4 131.0 13.2 0.1 60.4 42 50 A G T > S+ 0 0 75 -3,-0.1 3,-0.6 -2,-0.1 4,-0.3 0.610 89.2 124.3 75.2 16.6 14.0 1.9 63.7 43 51 A A G X + 0 0 34 -3,-1.7 3,-0.5 1,-0.2 -2,-0.1 0.554 44.6 88.8 -87.0 -9.9 16.2 4.5 61.9 44 52 A G G 3 S+ 0 0 79 1,-0.2 -1,-0.2 -4,-0.2 4,-0.1 0.747 84.1 57.6 -58.7 -26.9 14.3 7.5 63.3 45 53 A S G < S+ 0 0 115 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.1 0.864 101.5 64.1 -71.5 -39.8 16.6 7.6 66.4 46 54 A E S < S- 0 0 154 -3,-0.5 3,-0.1 -4,-0.3 -4,-0.0 -0.366 98.9 -90.6 -79.4 163.5 19.8 7.9 64.3 47 55 A A - 0 0 92 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.232 60.7 -69.6 -69.4 165.0 20.6 11.0 62.1 48 56 A E - 0 0 91 -47,-0.1 2,-0.3 -4,-0.1 -1,-0.2 -0.268 43.2-178.8 -60.3 133.6 19.5 11.1 58.4 49 57 A D - 0 0 61 -3,-0.1 2,-0.7 23,-0.1 -1,-0.1 -0.840 11.6-162.3-128.7 96.6 21.2 8.8 55.9 50 58 A R - 0 0 8 -2,-0.3 21,-2.0 -11,-0.1 22,-1.1 -0.714 15.1-175.2 -78.1 115.2 19.7 9.6 52.4 51 59 A R E - B 0 70A 93 -2,-0.7 -14,-3.3 -14,-0.4 2,-0.4 -0.912 10.1-159.2-116.7 143.2 20.6 6.6 50.3 52 60 A F E -AB 36 69A 1 17,-2.6 17,-2.7 -2,-0.4 2,-0.4 -0.950 7.5-146.5-124.1 139.2 19.9 6.2 46.5 53 61 A R E -AB 35 68A 4 -18,-3.1 -18,-2.0 -2,-0.4 2,-0.4 -0.894 21.0-174.8-105.7 136.1 19.7 3.0 44.5 54 62 A V E -AB 34 67A 0 13,-2.9 13,-2.9 -2,-0.4 2,-0.5 -0.995 21.3-155.1-137.1 135.7 20.9 3.2 40.9 55 63 A F E -AB 33 66A 0 -22,-2.3 -23,-2.6 -2,-0.4 -22,-1.1 -0.959 22.0-159.7-107.2 120.0 20.9 0.7 37.9 56 64 A I E -AB 31 65A 1 9,-2.8 9,-1.9 -2,-0.5 -25,-0.2 -0.904 4.1-162.3-113.0 118.6 23.7 1.6 35.5 57 65 A H E -A 30 0A 14 -27,-3.3 -27,-2.7 -2,-0.6 2,-0.5 -0.587 8.9-145.2 -91.8 154.5 23.7 0.5 31.9 58 66 A D E > -A 29 0A 9 4,-0.4 3,-1.2 -29,-0.2 -29,-0.2 -0.983 3.1-159.0-125.4 118.3 26.8 0.5 29.7 59 67 A V T 3 S+ 0 0 40 -31,-2.6 -30,-0.1 -2,-0.5 -1,-0.1 0.613 88.4 67.4 -73.2 -13.1 26.3 1.2 26.0 60 68 A S T 3 S- 0 0 81 -32,-0.3 -1,-0.2 115,-0.0 -31,-0.1 0.443 121.2-100.0 -86.2 -0.2 29.6 -0.4 25.0 61 69 A G S < S+ 0 0 53 -3,-1.2 -2,-0.1 1,-0.3 114,-0.1 0.413 76.3 140.1 98.2 0.5 28.3 -3.9 26.0 62 70 A A - 0 0 46 1,-0.1 -4,-0.4 -5,-0.0 -1,-0.3 -0.284 64.1 -83.0 -69.8 162.0 29.9 -4.2 29.4 63 71 A R - 0 0 124 -6,-0.1 -1,-0.1 1,-0.1 20,-0.1 -0.385 46.9-120.5 -68.5 142.0 27.9 -5.6 32.3 64 72 A P - 0 0 13 0, 0.0 18,-3.0 0, 0.0 2,-0.3 -0.273 25.4-137.5 -76.0 168.0 25.6 -3.3 34.1 65 73 A Q E -BC 56 81A 32 -9,-1.9 -9,-2.8 16,-0.3 2,-0.5 -0.947 8.5-143.5-128.2 149.5 25.8 -2.5 37.8 66 74 A E E -BC 55 80A 39 14,-2.4 14,-2.3 -2,-0.3 2,-0.4 -0.973 32.3-176.9-106.8 127.4 23.5 -2.1 40.8 67 75 A V E -BC 54 79A 0 -13,-2.9 -13,-2.9 -2,-0.5 2,-0.5 -0.963 22.3-159.5-132.0 138.4 24.8 0.6 43.0 68 76 A T E -BC 53 78A 18 10,-2.4 9,-2.2 -2,-0.4 10,-1.6 -0.989 18.0-170.4-115.7 128.3 23.8 2.1 46.4 69 77 A V E -BC 52 76A 0 -17,-2.7 -17,-2.6 -2,-0.5 2,-0.8 -0.937 21.8-142.7-119.3 135.6 25.1 5.6 47.2 70 78 A S E >> -BC 51 75A 0 5,-2.5 5,-1.6 -2,-0.4 4,-1.3 -0.886 16.6-176.1 -90.5 107.0 24.9 7.6 50.5 71 79 A V T 45S+ 0 0 17 -21,-2.0 -1,-0.2 -2,-0.8 -20,-0.1 0.822 82.4 58.9 -74.4 -28.1 24.3 11.2 49.3 72 80 A T T 45S+ 0 0 60 -22,-1.1 -1,-0.2 1,-0.2 -21,-0.1 0.929 117.9 29.7 -59.0 -47.8 24.5 12.4 52.9 73 81 A N T 45S- 0 0 105 -23,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.529 103.5-123.5 -96.8 -5.6 28.1 11.0 53.2 74 82 A G T <5 + 0 0 40 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.827 68.7 125.0 67.9 33.8 29.3 11.3 49.6 75 83 A T E < -C 70 0A 61 -5,-1.6 -5,-2.5 -53,-0.0 2,-0.7 -0.862 66.9-121.9-126.7 155.7 30.1 7.6 49.4 76 84 A V E -C 69 0A 49 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.895 24.2-172.8 -89.2 118.6 29.4 4.5 47.4 77 85 A I E - 0 0 71 -9,-2.2 2,-0.3 -2,-0.7 -8,-0.2 0.902 67.7 -10.4 -75.6 -47.7 27.9 1.9 49.9 78 86 A S E -C 68 0A 59 -10,-1.6 -10,-2.4 2,-0.0 2,-0.3 -0.993 54.1-173.6-153.7 148.9 27.9 -1.0 47.4 79 87 A A E +C 67 0A 49 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.958 12.7 178.0-146.2 125.6 28.4 -1.7 43.7 80 88 A V E -C 66 0A 80 -14,-2.3 -14,-2.4 -2,-0.3 2,-0.3 -0.996 27.9-124.1-136.1 134.0 27.8 -5.1 42.1 81 89 A E E -C 65 0A 112 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.3 -0.578 30.6-137.1 -75.4 134.3 28.1 -6.3 38.5 82 90 A L - 0 0 14 -18,-3.0 2,-0.8 -2,-0.3 3,-0.1 -0.720 9.0-150.1 -96.7 139.9 24.9 -7.8 37.2 83 91 A D >> - 0 0 72 -2,-0.3 4,-2.5 1,-0.1 3,-1.2 -0.906 17.6-168.9-101.4 99.3 24.7 -11.0 35.1 84 92 A T H 3> S+ 0 0 16 -2,-0.8 4,-1.7 1,-0.3 57,-0.2 0.754 79.2 64.5 -69.5 -27.6 21.5 -10.1 33.2 85 93 A A H 34 S+ 0 0 61 56,-0.2 -1,-0.3 55,-0.2 4,-0.1 0.825 116.0 32.5 -61.2 -31.0 21.0 -13.6 31.7 86 94 A A H <4 S+ 0 0 57 -3,-1.2 -2,-0.2 2,-0.1 468,-0.2 0.923 133.0 23.7 -86.9 -59.0 20.5 -14.7 35.3 87 95 A T H < S- 0 0 63 -4,-2.5 462,-0.3 1,-0.2 -3,-0.2 0.559 113.9 -93.0 -97.8 -8.8 18.9 -11.9 37.2 88 96 A G < - 0 0 0 -4,-1.7 -1,-0.2 -5,-0.4 464,-0.2 -0.168 37.4 -76.7 117.1 151.8 17.2 -9.9 34.4 89 97 A E - 0 0 11 462,-2.5 462,-0.5 1,-0.1 3,-0.1 -0.452 52.9-100.6 -76.7 156.5 17.9 -7.0 32.0 90 98 A L - 0 0 2 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.291 54.9 -74.5 -68.2 160.8 17.7 -3.4 33.2 91 99 A P - 0 0 3 0, 0.0 203,-0.2 0, 0.0 -1,-0.2 -0.174 61.6 -85.1 -54.7 152.1 14.5 -1.3 32.5 92 100 A V - 0 0 1 201,-2.2 2,-0.4 -3,-0.1 38,-0.0 -0.335 47.1-127.5 -59.5 135.2 14.0 -0.1 28.9 93 101 A L > - 0 0 6 1,-0.1 3,-1.9 -3,-0.1 4,-0.5 -0.745 8.1-129.1 -89.7 138.2 15.8 3.2 28.4 94 102 A E G > S+ 0 0 83 -2,-0.4 3,-1.4 1,-0.3 4,-0.3 0.873 110.2 58.4 -44.5 -44.0 14.0 6.2 27.0 95 103 A E G 3 S+ 0 0 63 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.618 96.0 63.4 -69.6 -15.8 16.7 6.6 24.4 96 104 A E G <> S+ 0 0 8 -3,-1.9 4,-0.7 1,-0.2 3,-0.4 0.644 81.0 82.4 -81.6 -13.5 16.1 3.1 23.1 97 105 A F T <4 S+ 0 0 51 -3,-1.4 4,-0.4 -4,-0.5 3,-0.2 0.791 94.7 41.7 -65.5 -33.0 12.6 3.8 21.9 98 106 A E T > S+ 0 0 109 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.3 0.693 100.0 77.4 -80.5 -24.1 13.6 5.4 18.6 99 107 A V H > S+ 0 0 13 -3,-0.4 4,-2.3 -4,-0.3 5,-0.3 0.795 85.3 57.7 -62.8 -32.3 16.2 2.8 18.0 100 108 A V H X S+ 0 0 0 -4,-0.7 4,-2.1 -3,-0.2 -1,-0.2 0.967 112.0 40.5 -67.1 -48.7 13.9 -0.0 16.8 101 109 A E H > S+ 0 0 53 -4,-0.4 4,-1.8 25,-0.4 -1,-0.2 0.898 115.0 53.2 -62.6 -44.3 12.4 2.0 14.0 102 110 A Q H < S+ 0 0 107 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.892 112.1 42.8 -60.4 -45.4 15.8 3.5 13.0 103 111 A L H >< S+ 0 0 37 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.890 113.7 52.3 -69.8 -39.1 17.6 0.2 12.7 104 112 A L H >< S+ 0 0 0 -4,-2.1 3,-1.8 -5,-0.3 7,-0.2 0.831 94.1 72.7 -67.2 -29.9 14.7 -1.4 10.9 105 113 A A T 3< S+ 0 0 35 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.669 106.1 35.3 -64.3 -20.3 14.6 1.4 8.3 106 114 A T T < S+ 0 0 120 -3,-1.0 2,-0.5 -4,-0.4 -1,-0.3 0.202 90.4 112.8-115.5 13.6 17.8 0.2 6.6 107 115 A D <> - 0 0 25 -3,-1.8 4,-2.7 1,-0.1 5,-0.2 -0.779 61.2-145.5 -87.5 127.7 17.2 -3.6 7.1 108 116 A E H > S+ 0 0 169 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.826 98.0 51.7 -65.1 -34.1 16.6 -5.4 3.8 109 117 A R H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 112.4 45.4 -66.9 -45.8 14.1 -7.9 5.3 110 118 A W H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.923 112.9 50.6 -60.9 -47.1 12.0 -5.1 6.9 111 119 A L H X S+ 0 0 61 -4,-2.7 4,-2.5 -7,-0.2 -1,-0.2 0.874 108.6 52.3 -62.1 -35.8 12.2 -3.0 3.7 112 120 A K H X S+ 0 0 165 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.887 109.2 50.3 -65.7 -39.7 11.0 -6.1 1.6 113 121 A A H X S+ 0 0 3 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.888 112.5 45.9 -65.5 -42.0 8.1 -6.6 4.0 114 122 A L H ><>S+ 0 0 2 -4,-2.3 5,-2.1 1,-0.2 3,-0.9 0.907 110.9 52.8 -68.7 -40.2 7.0 -2.9 3.7 115 123 A A H ><5S+ 0 0 66 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.864 102.1 59.1 -64.4 -34.8 7.4 -3.0 -0.1 116 124 A A H 3<5S+ 0 0 60 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.755 112.6 41.2 -63.4 -23.2 5.1 -6.1 -0.3 117 125 A R T <<5S- 0 0 24 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.296 113.1-119.1-106.3 3.2 2.5 -3.9 1.4 118 126 A N T < 5 + 0 0 147 -3,-1.2 2,-0.5 -4,-0.2 -3,-0.2 0.872 60.2 153.4 59.3 42.3 3.3 -0.7 -0.7 119 127 A L < - 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