==== 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 27-JUL-05 2BXR . COMPND 2 MOLECULE: AMINE OXIDASE [FLAVIN-CONTAINING] A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.DE COLIBUS,C.BINDA,D.E.EDMONDSON,A.MATTEVI . 890 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 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 . 79 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.5 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 6 2 4 2 2 4 0 2 2 0 0 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 4 0 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 PARALLEL BRIDGES PER LADDER . 10 0 4 8 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 2 0 2 0 0 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 12 A H 0 0 169 0, 0.0 247,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -43.8 58.7 12.5 19.8 2 13 A M E +a 248 0A 89 245,-0.2 2,-0.3 247,-0.0 247,-0.2 -0.858 360.0 149.1-107.2 121.1 58.7 9.5 22.3 3 14 A F E -a 249 0A 28 245,-2.3 247,-0.5 -2,-0.5 25,-0.2 -0.873 51.0-121.2-141.0 167.1 55.6 7.4 23.1 4 15 A D E S+ 0 0 42 23,-1.8 246,-1.4 1,-0.3 247,-1.3 0.916 97.2 7.7 -78.3 -44.0 54.4 3.9 24.2 5 16 A V E -ab 251 28A 0 22,-2.2 24,-2.0 245,-0.2 2,-0.5 -0.992 61.1-149.8-136.0 146.1 52.3 3.4 21.1 6 17 A V E -ab 252 29A 0 245,-2.1 247,-2.0 -2,-0.3 2,-0.6 -0.962 12.9-152.9-108.4 134.9 51.6 5.1 17.9 7 18 A V E -ab 253 30A 0 22,-3.5 24,-2.2 -2,-0.5 2,-0.8 -0.929 9.5-144.0-103.9 120.8 48.1 4.8 16.3 8 19 A I E S+ab 254 31A 5 245,-2.9 247,-1.7 -2,-0.6 24,-0.2 -0.745 72.0 14.1 -83.3 111.1 48.1 5.2 12.5 9 20 A G - 0 0 5 22,-3.1 23,-0.2 -2,-0.8 22,-0.1 0.366 64.0-134.2 99.9 131.1 44.8 7.0 11.6 10 21 A G + 0 0 0 26,-0.2 28,-2.1 4,-0.2 29,-0.2 -0.396 57.9 122.2-119.1 53.6 42.3 8.8 13.7 11 22 A G S > S- 0 0 18 244,-0.4 4,-2.4 26,-0.2 5,-0.3 -0.313 89.0 -75.0 -86.5-172.2 39.0 7.6 12.6 12 23 A I H > S+ 0 0 8 26,-0.4 4,-2.1 1,-0.2 5,-0.2 0.899 133.2 52.5 -53.8 -38.1 36.7 6.0 15.2 13 24 A S H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.981 112.4 39.7 -67.5 -57.8 38.8 2.9 15.2 14 25 A G H > S+ 0 0 0 241,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.904 118.1 50.3 -54.1 -45.3 42.3 4.4 15.8 15 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.829 107.7 53.1 -63.7 -32.4 40.8 6.9 18.3 16 27 A S H X S+ 0 0 1 -4,-2.1 4,-2.4 -3,-0.3 5,-0.2 0.949 110.1 47.5 -69.4 -48.6 39.0 4.1 20.2 17 28 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.954 112.8 50.1 -47.9 -55.6 42.2 2.2 20.6 18 29 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.859 110.2 49.7 -55.5 -42.0 43.9 5.4 21.7 19 30 A K H X S+ 0 0 17 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.906 112.3 45.8 -69.5 -43.4 41.2 6.2 24.3 20 31 A L H X S+ 0 0 10 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.978 113.0 50.3 -63.1 -54.7 41.2 2.8 25.9 21 32 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 3,-0.6 0.865 110.6 50.6 -47.2 -44.0 45.0 2.7 26.0 22 33 A T H ><5S+ 0 0 54 -4,-2.3 3,-3.0 -5,-0.3 -1,-0.2 0.935 100.5 62.0 -61.7 -46.6 44.9 6.2 27.6 23 34 A E H 3<5S+ 0 0 110 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.769 105.6 50.1 -47.5 -29.8 42.3 4.9 30.2 24 35 A Y T <<5S- 0 0 75 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.203 123.0-104.9 -98.7 13.2 45.2 2.5 31.3 25 36 A G T < 5 + 0 0 70 -3,-3.0 2,-0.3 1,-0.2 -3,-0.2 0.691 69.0 150.4 74.2 18.1 47.8 5.2 31.6 26 37 A V < - 0 0 20 -5,-2.3 2,-0.8 -6,-0.2 -1,-0.2 -0.673 51.8-118.0 -84.3 137.9 49.6 4.3 28.3 27 38 A S - 0 0 42 -2,-0.3 -22,-2.2 2,-0.0 -23,-1.8 -0.660 43.3-178.3 -78.9 106.9 51.4 7.0 26.4 28 39 A V E -b 5 0A 1 -2,-0.8 2,-0.4 -24,-0.2 -22,-0.2 -0.842 18.5-170.2-116.1 143.1 49.7 7.2 23.0 29 40 A L E -b 6 0A 0 -24,-2.0 -22,-3.5 -2,-0.3 2,-0.6 -0.999 9.5-154.7-130.0 139.1 50.2 9.3 19.8 30 41 A V E -bc 7 221A 1 190,-3.0 192,-3.6 -2,-0.4 2,-0.6 -0.936 2.4-164.1-116.8 117.3 47.8 9.5 16.9 31 42 A L E -bc 8 222A 2 -24,-2.2 -22,-3.1 -2,-0.6 2,-0.5 -0.892 13.6-175.2 -99.1 121.4 49.1 10.4 13.5 32 43 A E - 0 0 12 190,-2.7 193,-2.2 -2,-0.6 192,-0.1 -0.959 22.5-149.9-127.0 119.3 46.2 11.3 11.2 33 44 A A S S+ 0 0 20 -2,-0.5 -1,-0.1 192,-0.3 4,-0.1 0.844 76.1 65.6 -51.2 -47.6 46.6 12.1 7.5 34 45 A R S S- 0 0 22 2,-0.3 190,-3.0 190,-0.1 191,-0.3 -0.007 89.7-112.8 -73.1 175.1 43.7 14.6 7.2 35 46 A D S S+ 0 0 115 188,-0.2 2,-0.3 189,-0.1 188,-0.1 0.140 103.0 44.0 -92.3 17.9 43.2 18.0 8.8 36 47 A R S S- 0 0 29 -4,-0.0 -2,-0.3 6,-0.0 3,-0.3 -0.988 78.9-125.6-148.3 160.1 40.4 16.5 10.8 37 48 A V S S+ 0 0 5 -2,-0.3 -26,-0.2 1,-0.1 174,-0.1 -0.417 78.2 71.2 -88.0 176.9 39.7 13.3 12.7 38 49 A G > - 0 0 2 -28,-2.1 3,-2.6 -2,-0.1 -26,-0.4 -0.006 63.1-166.4 107.0 -27.3 36.6 11.1 11.9 39 50 A G T 3 S+ 0 0 10 1,-0.3 347,-0.1 -3,-0.3 346,-0.1 -0.196 79.4 13.5 54.2-116.6 37.7 9.5 8.6 40 51 A R T 3 S+ 0 0 46 345,-0.1 16,-2.5 15,-0.1 2,-0.5 0.398 124.9 70.9 -75.6 1.5 34.7 7.9 7.0 41 52 A T < + 0 0 7 -3,-2.6 2,-0.3 14,-0.3 16,-0.1 -0.992 65.4 160.9-113.2 134.5 32.5 9.8 9.5 42 53 A Y - 0 0 65 -2,-0.5 12,-3.4 14,-0.3 2,-0.7 -0.929 26.0-158.2-159.4 120.6 32.5 13.5 8.7 43 54 A T E -I 53 0B 5 -2,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.927 11.6-154.6-111.0 113.0 30.0 16.1 9.9 44 55 A I E -I 52 0B 28 8,-2.3 8,-2.3 -2,-0.7 2,-0.4 -0.676 11.4-161.5 -84.8 139.8 29.9 19.2 7.7 45 56 A R E +I 51 0B 119 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.997 25.5 137.1-129.9 123.0 28.8 22.3 9.6 46 57 A N E >> -I 50 0B 48 4,-0.5 4,-2.0 -2,-0.4 3,-1.6 -0.980 64.0 -96.7-164.0 163.1 27.5 25.4 7.9 47 58 A E T 34 S+ 0 0 177 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.753 118.4 56.0 -62.8 -23.8 24.7 27.9 8.2 48 59 A H T 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.807 124.6 18.5 -70.1 -33.7 22.6 26.1 5.6 49 60 A V T <4 S- 0 0 0 -3,-1.6 2,-3.1 1,-0.2 -2,-0.2 0.412 81.6-143.2-120.8 -1.4 22.5 22.7 7.3 50 61 A D E < S-I 46 0B 99 -4,-2.0 -4,-0.5 2,-0.0 2,-0.3 -0.455 82.1 -23.0 60.9 -73.5 23.5 23.5 10.9 51 62 A Y E -I 45 0B 22 -2,-3.1 2,-0.3 -6,-0.2 -6,-0.2 -0.976 67.7-178.0-154.5 155.9 25.3 20.2 10.7 52 63 A V E -I 44 0B 2 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.6 -0.889 28.8-123.2-161.0 131.3 25.1 17.0 8.6 53 64 A D E +I 43 0B 1 -2,-0.3 -10,-0.3 -10,-0.2 4,-0.1 -0.553 22.5 179.9 -69.5 117.2 26.9 13.6 8.5 54 65 A V S S+ 0 0 0 -12,-3.4 324,-0.3 -2,-0.6 234,-0.2 0.397 74.6 29.8 -91.2 9.3 28.2 13.2 5.0 55 66 A G S S- 0 0 10 -13,-0.6 -14,-0.3 1,-0.4 -15,-0.1 -0.106 118.8 -0.3-132.4-141.5 29.6 9.8 6.1 56 67 A G + 0 0 26 -16,-2.5 -1,-0.4 1,-0.2 -14,-0.3 -0.402 66.5 147.7 -54.7 131.1 28.7 7.1 8.6 57 68 A A + 0 0 3 1,-0.2 145,-0.5 -3,-0.1 2,-0.4 0.619 36.0 81.8-133.9 -36.6 25.6 8.2 10.4 58 69 A Y + 0 0 34 143,-0.1 2,-0.4 141,-0.0 370,-0.3 -0.667 42.8 178.2 -97.9 130.2 23.3 5.4 11.4 59 70 A V B -J 200 0C 0 141,-2.8 141,-1.3 -2,-0.4 0, 0.0 -0.985 11.0-160.4-125.9 139.6 23.6 3.2 14.4 60 71 A G > - 0 0 6 -2,-0.4 3,-1.0 1,-0.2 139,-0.1 -0.444 31.9 -83.2-104.4-179.9 21.1 0.5 15.4 61 72 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 139,-0.1 -0.316 115.1 46.6 -73.9 178.0 20.3 -1.4 18.6 62 73 A T T 3 S+ 0 0 43 1,-0.1 2,-1.3 2,-0.0 3,-0.2 0.169 86.3 104.7 68.5 -19.1 22.6 -4.3 19.3 63 74 A Q <> + 0 0 5 -3,-1.0 4,-1.3 1,-0.2 3,-0.3 -0.286 40.2 154.4 -88.4 56.1 25.4 -1.8 18.5 64 75 A N H > + 0 0 50 -2,-1.3 4,-2.0 1,-0.2 5,-0.2 0.624 56.1 66.1 -63.8 -17.7 26.5 -1.3 22.1 65 76 A R H > S+ 0 0 43 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.993 108.0 35.7 -67.5 -55.9 30.1 -0.3 21.6 66 77 A I H > S+ 0 0 0 -3,-0.3 4,-2.0 1,-0.2 5,-0.2 0.742 118.2 55.3 -68.0 -23.3 29.5 3.0 19.8 67 78 A L H X S+ 0 0 50 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.921 110.7 42.9 -73.3 -44.3 26.4 3.6 22.0 68 79 A R H X S+ 0 0 63 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.902 118.0 46.7 -66.1 -42.1 28.4 3.2 25.3 69 80 A L H X S+ 0 0 5 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.977 113.9 44.8 -67.3 -57.4 31.3 5.2 23.9 70 81 A S H <>S+ 0 0 1 -4,-2.0 5,-2.9 1,-0.2 4,-0.4 0.838 111.9 54.5 -54.1 -34.9 29.2 8.1 22.5 71 82 A K H ><5S+ 0 0 153 -4,-1.7 3,-1.5 3,-0.2 -1,-0.2 0.956 109.2 47.2 -70.2 -42.2 27.2 8.1 25.7 72 83 A E H 3<5S+ 0 0 106 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.927 108.2 55.0 -60.7 -45.8 30.4 8.5 27.7 73 84 A L T 3<5S- 0 0 21 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.533 122.7-110.5 -65.8 -4.6 31.6 11.2 25.4 74 85 A G T < 5 + 0 0 50 -3,-1.5 2,-0.5 -4,-0.4 -3,-0.2 0.815 68.8 144.5 80.1 33.4 28.3 13.0 26.2 75 86 A I < - 0 0 5 -5,-2.9 -1,-0.3 -6,-0.1 2,-0.1 -0.916 35.4-151.0-107.1 125.0 26.6 12.5 22.8 76 87 A E - 0 0 130 -2,-0.5 127,-1.8 127,-0.3 2,-0.3 -0.460 8.8-143.0 -85.2 162.3 22.8 11.9 22.7 77 88 A T E -K 202 0C 41 125,-0.3 2,-0.3 -2,-0.1 125,-0.2 -0.847 6.8-154.7-121.6 166.5 21.0 10.0 20.0 78 89 A Y E -K 201 0C 31 123,-2.3 123,-2.1 -2,-0.3 2,-0.5 -0.992 27.1-105.1-140.3 149.5 17.7 10.4 18.2 79 90 A K E -K 200 0C 124 -2,-0.3 2,-0.3 121,-0.2 121,-0.3 -0.587 36.7-122.0 -73.6 118.6 15.3 8.0 16.4 80 91 A V - 0 0 11 119,-3.5 119,-0.5 -2,-0.5 2,-0.4 -0.517 35.9-113.6 -63.5 121.8 15.5 8.4 12.7 81 92 A N + 0 0 59 -2,-0.3 240,-0.4 242,-0.2 3,-0.1 -0.441 41.5 172.3 -64.5 114.7 12.0 9.2 11.8 82 93 A V + 0 0 52 -2,-0.4 -1,-0.1 1,-0.1 222,-0.1 -0.453 26.3 160.5-113.1 53.0 10.5 6.4 9.7 83 94 A S - 0 0 61 221,-0.3 -1,-0.1 220,-0.1 221,-0.1 0.744 47.2 -6.4 -52.1 -50.5 7.2 8.2 10.1 84 95 A E S S- 0 0 59 1,-0.1 2,-0.5 -3,-0.1 219,-0.2 0.051 101.0 -16.1-125.8-136.4 4.8 7.0 7.3 85 96 A R E -l 303 0D 105 217,-1.4 219,-1.8 -2,-0.0 220,-0.5 -0.730 54.3-135.1 -89.0 127.1 4.6 4.8 4.2 86 97 A L E - 0 0 42 -2,-0.5 11,-1.6 11,-0.4 2,-0.5 -0.382 19.8-139.8 -67.5 151.4 7.8 3.7 2.4 87 98 A V E -lM 307 96D 2 219,-1.9 221,-2.0 9,-0.2 2,-0.4 -0.975 11.3-161.4-120.7 128.2 7.8 4.0 -1.4 88 99 A Q E -lM 308 95D 31 7,-4.0 7,-3.0 -2,-0.5 2,-0.5 -0.892 6.5-153.3-103.7 146.1 9.2 1.4 -3.7 89 100 A Y E +lM 309 94D 10 219,-2.6 221,-2.7 -2,-0.4 2,-0.4 -0.946 25.1 157.1-121.9 111.4 10.1 2.3 -7.3 90 101 A V - 0 0 43 3,-0.9 3,-0.4 -2,-0.5 221,-0.2 -0.981 62.7 -13.8-138.9 127.2 10.0 -0.5 -9.9 91 102 A K S S- 0 0 88 219,-0.5 2,-1.1 -2,-0.4 -1,-0.1 0.875 121.4 -52.4 59.8 46.8 9.6 -0.4 -13.7 92 103 A G S S+ 0 0 39 1,-0.2 -1,-0.2 -3,-0.0 219,-0.0 -0.541 121.1 74.2 95.8 -70.5 8.3 3.2 -14.0 93 104 A K S S- 0 0 56 -2,-1.1 -3,-0.9 -3,-0.4 2,-0.3 0.025 73.8-126.5 -67.5-179.4 5.4 3.4 -11.6 94 105 A T E -M 89 0D 41 -5,-0.2 -5,-0.2 -3,-0.1 -1,-0.1 -0.997 12.7-155.2-139.3 142.9 5.7 3.5 -7.7 95 106 A Y E -M 88 0D 145 -7,-3.0 -7,-4.0 -2,-0.3 2,-0.5 -0.963 8.0-145.8-125.4 131.7 4.3 1.4 -4.8 96 107 A P E +M 87 0D 60 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.889 54.8 24.8-102.0 118.0 3.6 2.4 -1.2 97 108 A F S S+ 0 0 54 -11,-1.6 -11,-0.4 -2,-0.5 -2,-0.0 -0.978 91.7 3.9 154.2-126.9 4.0 -0.0 1.9 98 109 A R 0 0 91 -2,-0.3 -1,-0.2 1,-0.1 -12,-0.0 0.983 360.0 360.0 -63.4 -96.3 5.8 -3.3 3.0 99 110 A G 0 0 74 -11,-0.0 -1,-0.1 -13,-0.0 -2,-0.0 0.826 360.0 360.0 -41.5 360.0 8.3 -5.1 0.7 100 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 116 A W 0 0 281 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 19.9 3.4 -7.9 -4.4 102 117 A N > - 0 0 81 1,-0.2 4,-2.0 2,-0.0 5,-0.2 -0.886 360.0-151.6 -96.5 117.1 3.9 -11.3 -6.2 103 118 A P H >> S+ 0 0 83 0, 0.0 4,-2.9 0, 0.0 3,-1.9 0.936 96.5 38.6 -33.3 -85.6 3.0 -14.4 -4.1 104 119 A I H 3> S+ 0 0 122 1,-0.3 4,-1.3 2,-0.2 48,-0.1 0.793 118.9 53.5 -44.6 -32.4 5.3 -17.1 -5.7 105 120 A A H 3> S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.750 110.7 43.2 -78.3 -27.3 7.9 -14.3 -5.9 106 121 A Y H X S+ 0 0 32 -4,-2.0 4,-1.1 1,-0.2 3,-0.7 0.885 111.4 31.3 -39.0 -69.0 11.7 -13.6 -1.4 110 125 A N H 3X S+ 0 0 78 -4,-2.7 4,-2.8 1,-0.3 -1,-0.2 0.763 110.6 66.2 -78.4 -21.2 11.9 -14.8 2.1 111 126 A N H 3X S+ 0 0 53 -4,-1.1 4,-2.6 -5,-0.4 -1,-0.3 0.845 101.9 51.9 -57.5 -34.3 13.2 -18.2 1.2 112 127 A L H < S+ 0 0 26 -4,-2.6 3,-0.9 -5,-0.3 4,-0.4 0.898 103.1 60.8 -66.7 -35.8 24.1 -20.7 5.3 120 135 A G H >< S+ 0 0 1 -4,-1.5 3,-2.6 1,-0.2 -2,-0.2 0.896 90.3 68.4 -54.3 -45.0 25.4 -18.3 7.9 121 136 A K H 3< S+ 0 0 101 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.810 95.7 54.5 -44.7 -42.3 25.2 -20.9 10.6 122 137 A E T << S+ 0 0 49 -3,-0.9 10,-0.6 -4,-0.7 -1,-0.3 0.624 92.2 87.0 -67.3 -17.3 28.1 -22.9 9.0 123 138 A I S < S- 0 0 0 -3,-2.6 2,-0.4 -4,-0.4 6,-0.1 -0.785 74.0-137.2-100.1 111.2 30.5 -19.9 9.0 124 139 A P > - 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0 0 12 -4,-3.4 -45,-0.0 -5,-0.2 -41,-0.0 -0.469 54.5-167.0 -72.8 133.8 16.1 -17.7 -6.5 151 166 A W + 0 0 235 -2,-0.2 2,-0.2 -46,-0.1 -1,-0.1 0.737 69.6 58.5 -88.0 -25.7 13.8 -19.2 -9.0 152 167 A T S > S- 0 0 37 -47,-0.1 4,-1.7 -48,-0.1 5,-0.1 -0.661 74.6-131.3-106.7 161.4 12.3 -15.8 -10.2 153 168 A K H > S+ 0 0 181 -2,-0.2 4,-1.8 2,-0.2 5,-0.2 0.590 104.2 60.5 -83.5 -13.3 13.7 -12.6 -11.6 154 169 A T H > S+ 0 0 70 2,-0.2 4,-3.7 3,-0.2 5,-0.3 0.970 110.8 39.3 -72.5 -58.1 11.9 -10.3 -9.2 155 170 A A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.972 117.4 51.0 -48.3 -62.6 13.6 -11.9 -6.2 156 171 A R H X S+ 0 0 7 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.888 115.8 41.3 -41.2 -57.1 16.9 -12.1 -8.1 157 172 A R H X S+ 0 0 26 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.955 114.5 50.9 -59.9 -52.5 16.7 -8.4 -9.1 158 173 A F H X S+ 0 0 17 -4,-3.7 4,-1.2 1,-0.2 -1,-0.2 0.826 109.4 52.9 -57.0 -31.6 15.5 -7.2 -5.7 159 174 A A H X S+ 0 0 4 -4,-2.7 4,-2.6 -5,-0.3 3,-0.3 0.916 100.0 59.6 -71.3 -45.2 18.4 -9.1 -4.1 160 175 A Y H X S+ 0 0 59 -4,-2.0 4,-2.9 1,-0.3 -1,-0.2 0.909 106.7 49.2 -46.4 -46.4 21.1 -7.5 -6.2 161 176 A L H X S+ 0 0 8 -4,-1.5 4,-3.3 2,-0.2 -1,-0.3 0.825 105.5 55.6 -69.3 -32.7 19.9 -4.2 -4.8 162 177 A F H X S+ 0 0 15 -4,-1.2 4,-2.4 -3,-0.3 5,-0.2 0.921 110.7 46.5 -59.6 -44.9 20.1 -5.5 -1.2 163 178 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 6,-0.5 0.948 112.5 51.3 -63.4 -45.5 23.7 -6.4 -2.0 164 179 A N H X S+ 0 0 11 -4,-2.9 4,-1.4 -5,-0.2 5,-0.3 0.960 112.4 45.1 -51.3 -57.0 24.1 -2.9 -3.5 165 180 A I H < S+ 0 0 11 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.876 118.4 41.4 -60.6 -42.7 22.7 -1.2 -0.5 166 181 A N H < S+ 0 0 6 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.879 130.5 18.7 -81.3 -37.9 24.6 -3.2 2.1 167 182 A V H < S- 0 0 3 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.170 91.3-126.1-122.3 27.0 28.1 -3.5 0.7 168 183 A T S < S+ 0 0 2 -4,-1.4 117,-2.1 -5,-0.2 170,-0.3 0.776 76.7 98.8 35.8 44.1 28.2 -0.7 -2.0 169 184 A S S S- 0 0 3 -6,-0.5 -2,-0.2 -5,-0.3 -1,-0.1 -0.909 77.7 -92.1-148.9 172.7 29.2 -3.2 -4.6 170 185 A E >> - 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