==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-MAR-05 1Z6L . COMPND 2 MOLECULE: POLYAMINE OXIDASE FMS1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Q.HUANG,Q.LIU,Q.HAO . 972 10 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 11.8 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 . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 89 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 266 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 6 2 3 2 1 4 1 0 1 1 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 5 3 1 0 1 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 . 3 6 3 7 2 4 0 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 . 4 2 0 0 0 0 3 1 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 6 A P 0 0 137 0, 0.0 238,-0.2 0, 0.0 239,-0.0 0.000 360.0 360.0 360.0 68.2 88.6 0.0 21.4 2 7 A A E -a 239 0A 53 236,-0.8 238,-2.7 1,-0.1 2,-0.3 -0.192 360.0-122.4 -49.7 128.1 85.2 -0.5 23.0 3 8 A K E +a 240 0A 102 236,-0.2 2,-0.3 238,-0.0 238,-0.2 -0.586 36.6 170.1 -81.9 133.1 85.1 -3.9 24.9 4 9 A K E -a 241 0A 49 236,-1.5 238,-1.2 -2,-0.3 26,-0.2 -0.955 34.8-141.9-139.1 156.9 82.5 -6.5 23.9 5 10 A K E S+ 0 0 83 24,-3.6 238,-1.8 -2,-0.3 237,-0.5 0.944 89.8 8.7 -81.9 -55.4 81.8 -10.1 24.7 6 11 A V E -ab 243 30A 0 23,-0.7 25,-2.3 236,-0.2 2,-0.6 -0.989 62.0-160.3-133.9 127.6 80.6 -11.3 21.3 7 12 A I E -ab 244 31A 0 236,-3.2 238,-2.0 -2,-0.4 2,-0.6 -0.923 10.7-160.9-109.4 117.5 80.6 -9.4 18.0 8 13 A I E -ab 245 32A 0 23,-3.9 25,-3.1 -2,-0.6 2,-0.8 -0.860 5.7-151.6-100.6 120.9 78.2 -10.7 15.4 9 14 A I E +ab 246 33A 7 236,-2.0 238,-2.1 -2,-0.6 25,-0.2 -0.823 67.5 26.1 -93.8 111.0 78.9 -9.7 11.8 10 15 A G - 0 0 9 23,-3.4 2,-0.3 -2,-0.8 24,-0.2 0.343 62.4-135.8 109.1 123.5 75.7 -9.7 9.8 11 16 A A + 0 0 0 27,-0.2 29,-3.0 4,-0.1 2,-0.2 -0.338 63.2 121.4-104.4 48.5 72.0 -9.2 10.9 12 17 A G B > S-h 40 0B 13 -2,-0.3 4,-3.2 27,-0.2 5,-0.3 -0.458 88.8 -80.3 -97.2 178.3 70.6 -12.0 8.9 13 18 A I H > S+ 0 0 11 27,-0.8 4,-1.5 1,-0.2 5,-0.1 0.745 130.8 57.1 -52.4 -25.1 68.6 -14.8 10.4 14 19 A A H > S+ 0 0 5 2,-0.2 4,-2.1 233,-0.2 -1,-0.2 0.986 114.4 32.6 -71.5 -58.3 72.0 -16.4 11.3 15 20 A G H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.818 116.8 57.8 -67.5 -33.6 73.4 -13.5 13.4 16 21 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.941 110.2 43.8 -62.6 -44.7 70.0 -12.5 14.6 17 22 A K H X S+ 0 0 16 -4,-1.5 4,-3.1 -5,-0.3 5,-0.2 0.877 111.8 54.2 -67.9 -36.2 69.5 -16.0 16.0 18 23 A A H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 -2,-0.2 0.986 112.4 42.6 -60.2 -56.2 73.0 -16.0 17.4 19 24 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.958 114.3 52.0 -51.8 -56.8 72.4 -12.7 19.2 20 25 A S H >X S+ 0 0 14 -4,-2.9 4,-2.4 2,-0.2 3,-0.7 0.937 113.3 43.2 -44.6 -61.0 69.0 -13.9 20.4 21 26 A T H 3X S+ 0 0 4 -4,-3.1 4,-2.0 1,-0.3 5,-0.2 0.969 110.1 56.8 -50.2 -59.4 70.4 -17.1 21.8 22 27 A L H 3<>S+ 0 0 0 -4,-3.4 5,-2.4 1,-0.3 -1,-0.3 0.799 108.9 48.6 -39.7 -39.3 73.3 -15.1 23.3 23 28 A H H X<5S+ 0 0 78 -4,-2.5 3,-3.0 -3,-0.7 -1,-0.3 0.963 105.9 54.0 -68.8 -53.9 70.7 -13.1 25.1 24 29 A Q H 3<5S+ 0 0 162 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.792 105.0 56.1 -51.1 -31.6 68.7 -16.0 26.4 25 30 A N T 3<5S- 0 0 69 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.239 121.2-112.4 -86.8 14.4 71.9 -17.4 27.9 26 31 A G T < 5 + 0 0 51 -3,-3.0 2,-0.2 -5,-0.2 -3,-0.2 0.635 62.2 156.7 66.8 16.7 72.2 -14.1 29.7 27 32 A I < - 0 0 19 -5,-2.4 2,-0.2 -6,-0.2 -1,-0.2 -0.555 21.5-166.4 -75.2 137.0 75.3 -13.0 27.8 28 33 A Q + 0 0 138 -2,-0.2 -23,-0.3 1,-0.2 -22,-0.2 -0.715 53.1 45.0-119.9 171.2 75.7 -9.2 27.8 29 34 A D S S+ 0 0 90 -2,-0.2 -24,-3.6 1,-0.2 -23,-0.7 0.970 74.9 148.1 61.0 59.1 77.8 -6.6 26.0 30 35 A C E -b 6 0A 1 -26,-0.2 2,-0.4 -25,-0.2 -23,-0.2 -0.890 32.0-151.5-124.5 155.5 77.3 -8.0 22.5 31 36 A L E -b 7 0A 13 -25,-2.3 -23,-3.9 -2,-0.3 2,-0.6 -0.970 10.6-156.8-131.7 143.2 77.1 -6.3 19.1 32 37 A V E -bc 8 212A 0 179,-3.2 181,-2.8 -2,-0.4 2,-0.8 -0.914 17.6-164.4-117.0 99.1 75.3 -7.1 15.8 33 38 A L E +bc 9 213A 2 -25,-3.1 -23,-3.4 -2,-0.6 2,-0.4 -0.778 12.6 178.1 -89.4 112.2 77.2 -5.3 13.0 34 39 A E - 0 0 12 179,-1.9 182,-2.0 -2,-0.8 -2,-0.0 -0.956 24.8-153.9-119.7 130.4 75.1 -5.2 9.8 35 40 A A S S+ 0 0 24 -2,-0.4 182,-0.2 180,-0.2 -1,-0.1 0.858 74.4 69.2 -69.0 -38.7 76.1 -3.5 6.5 36 41 A R S S- 0 0 29 2,-0.3 179,-2.5 1,-0.1 180,-0.3 -0.253 93.3-110.3 -77.0 170.6 72.7 -2.8 5.1 37 42 A D S S+ 0 0 127 177,-0.2 2,-0.3 178,-0.1 -1,-0.1 0.058 99.9 46.9 -85.3 25.5 70.3 -0.2 6.5 38 43 A R S S- 0 0 41 6,-0.0 -2,-0.3 0, 0.0 -27,-0.2 -0.977 76.3-119.8-157.5 168.9 68.2 -3.2 7.6 39 44 A V S S+ 0 0 18 -2,-0.3 -27,-0.2 1,-0.1 162,-0.1 -0.544 78.1 66.3-105.2 175.0 68.1 -6.6 9.3 40 45 A G B > -h 12 0B 1 -29,-3.0 3,-1.1 -2,-0.2 -27,-0.8 -0.223 65.9-161.9 107.3 -43.7 67.0 -9.8 7.7 41 46 A G T 3 S+ 0 0 10 1,-0.3 -29,-0.1 -29,-0.2 390,-0.1 -0.472 80.7 8.9 65.3-122.2 69.7 -10.3 5.1 42 47 A R T 3 S+ 0 0 51 -2,-0.3 16,-1.7 1,-0.1 2,-0.6 0.405 123.4 78.4 -73.4 8.3 68.5 -12.8 2.5 43 48 A L < + 0 0 10 -3,-1.1 2,-0.3 14,-0.2 -1,-0.1 -0.972 63.9 149.1-115.4 107.1 65.1 -12.5 4.2 44 49 A Q - 0 0 58 -2,-0.6 12,-1.9 14,-0.2 13,-0.7 -0.985 33.9-154.8-144.7 130.8 63.6 -9.2 3.0 45 50 A T E -I 55 0C 30 -2,-0.3 10,-0.2 10,-0.2 2,-0.2 -0.922 18.4-165.2-111.0 113.6 60.0 -8.3 2.5 46 51 A V E -I 54 0C 27 8,-2.1 8,-1.8 -2,-0.6 2,-0.3 -0.511 13.3-127.3 -94.7 163.7 59.4 -5.5 -0.0 47 52 A T E +I 53 0C 100 6,-0.2 2,-0.2 -2,-0.2 6,-0.2 -0.847 33.8 158.8-110.2 146.9 56.3 -3.4 -0.7 48 53 A G E >> +I 52 0C 14 4,-2.7 3,-1.5 -2,-0.3 4,-0.5 -0.754 43.7 4.3-146.7-166.9 54.6 -3.0 -4.0 49 54 A Y G >4 S- 0 0 47 1,-0.3 3,-1.5 -2,-0.2 -1,-0.2 0.205 126.2 -12.9 -24.0 113.9 51.3 -2.0 -5.8 50 55 A Q G 34 S- 0 0 130 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.760 127.6 -53.0 57.2 35.7 48.7 -0.9 -3.3 51 56 A G G <4 S+ 0 0 52 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.377 90.7 151.9 87.9 -6.8 50.4 -2.0 -0.1 52 57 A R E << -I 48 0C 36 -3,-1.5 -4,-2.7 -4,-0.5 2,-0.3 -0.308 30.3-152.4 -59.5 140.4 50.9 -5.6 -1.3 53 58 A K E +I 47 0C 119 -6,-0.2 2,-0.3 2,-0.0 -6,-0.2 -0.855 15.7 178.7-117.3 152.1 53.9 -7.3 0.3 54 59 A Y E -I 46 0C 9 -8,-1.8 -8,-2.1 -2,-0.3 2,-0.8 -0.989 33.1-121.3-150.4 143.9 56.2 -10.1 -0.9 55 60 A D E -I 45 0C 6 -2,-0.3 -10,-0.2 -10,-0.2 -2,-0.0 -0.808 25.5-174.3 -87.4 112.0 59.2 -11.9 0.4 56 61 A I S S+ 0 0 5 -12,-1.9 235,-0.2 -2,-0.8 -1,-0.2 0.451 76.8 35.0 -86.5 -2.6 61.8 -11.2 -2.4 57 62 A G S S+ 0 0 11 -13,-0.7 -14,-0.2 1,-0.6 -2,-0.1 0.050 125.3 3.2-115.8-130.2 64.3 -13.5 -0.6 58 63 A A + 0 0 30 -16,-1.7 -1,-0.6 1,-0.1 -14,-0.2 -0.190 58.2 167.4 -54.6 149.2 63.2 -16.6 1.2 59 64 A S + 0 0 2 1,-0.2 134,-1.7 -3,-0.1 2,-0.3 0.469 52.5 60.9-137.0 -23.1 59.5 -17.3 1.0 60 65 A W E -J 192 0D 27 132,-0.2 2,-0.7 25,-0.1 411,-0.3 -0.818 62.0-140.2-120.7 157.1 59.1 -20.8 2.3 61 66 A H E -J 191 0D 1 130,-2.0 130,-1.9 -2,-0.3 3,-0.3 -0.954 37.2-158.5-103.0 112.0 59.7 -23.0 5.3 62 67 A H + 0 0 48 -2,-0.7 8,-0.2 1,-0.2 127,-0.1 -0.542 64.8 23.7 -91.8 166.1 61.0 -26.1 3.8 63 68 A D >> - 0 0 14 125,-0.5 3,-2.1 -2,-0.2 4,-1.2 0.887 66.2-178.7 48.3 53.5 60.9 -29.6 5.5 64 69 A T T 34 S+ 0 0 0 125,-2.0 124,-0.2 -3,-0.3 -1,-0.2 0.388 71.7 71.5 -64.5 5.8 58.1 -28.7 7.8 65 70 A L T 34 S+ 0 0 15 122,-1.6 -1,-0.3 124,-0.1 123,-0.1 0.671 121.9 7.3 -92.8 -19.3 58.3 -32.2 9.3 66 71 A T T <4 S+ 0 0 58 -3,-2.1 -2,-0.2 121,-0.4 3,-0.1 0.234 89.1 129.9-144.1 11.5 61.6 -31.4 11.1 67 72 A N X - 0 0 1 -4,-1.2 4,-3.0 120,-0.2 5,-0.3 -0.595 38.4-165.2 -76.5 99.1 62.2 -27.7 10.6 68 73 A P H > S+ 0 0 33 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.894 90.8 49.8 -52.3 -43.9 63.0 -26.3 14.0 69 74 A L H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.921 114.4 46.7 -61.0 -42.0 62.4 -22.7 12.9 70 75 A F H >> S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 3,-0.7 0.970 112.2 47.2 -62.1 -57.5 59.1 -23.8 11.4 71 76 A L H 3X S+ 0 0 72 -4,-3.0 4,-2.7 1,-0.3 5,-0.2 0.917 108.1 56.8 -51.6 -47.2 57.9 -25.8 14.3 72 77 A E H 3X S+ 0 0 58 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.3 0.873 111.1 44.8 -52.7 -37.7 58.8 -22.9 16.6 73 78 A E H X S+ 0 0 106 -4,-2.7 3,-1.4 1,-0.2 4,-1.4 0.975 104.3 51.0 -56.2 -58.4 53.8 -23.4 18.1 76 81 A L H 3< S+ 0 0 56 -4,-1.6 6,-0.3 1,-0.3 -1,-0.2 0.774 113.1 48.3 -52.5 -26.1 53.3 -19.6 18.4 77 82 A S H >X S+ 0 0 17 -4,-1.3 4,-1.6 -3,-0.3 3,-0.7 0.703 103.4 58.7 -86.7 -22.2 50.3 -20.0 16.1 78 83 A L H << S+ 0 0 105 -4,-1.5 -2,-0.2 -3,-1.4 -1,-0.2 0.711 109.2 49.1 -76.7 -17.4 48.9 -22.9 18.1 79 84 A N T 3< S+ 0 0 111 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.349 127.5 14.9-103.6 4.1 48.9 -20.4 21.0 80 85 A D T <4 S- 0 0 63 -3,-0.7 -2,-0.2 -5,-0.2 -3,-0.1 0.395 90.3-117.3-156.6 0.0 47.2 -17.4 19.4 81 86 A G < + 0 0 70 -4,-1.6 2,-0.5 1,-0.2 -4,-0.1 0.679 58.6 154.7 65.3 18.5 45.5 -18.4 16.2 82 87 A R - 0 0 146 -6,-0.3 2,-0.7 -5,-0.1 -1,-0.2 -0.687 44.8-131.0 -85.4 123.9 47.7 -16.0 14.2 83 88 A T + 0 0 115 -2,-0.5 3,-0.1 1,-0.2 -1,-0.0 -0.628 43.8 152.5 -73.6 110.6 48.2 -16.9 10.5 84 89 A R + 0 0 37 -2,-0.7 110,-3.9 1,-0.3 2,-0.3 0.624 64.2 14.7-111.7 -25.0 52.0 -16.8 10.0 85 90 A F E -K 193 0D 25 108,-0.3 2,-0.3 109,-0.1 -1,-0.3 -0.909 60.1-144.9-144.1 168.4 52.3 -19.3 7.1 86 91 A V E -K 192 0D 38 106,-1.4 106,-2.0 -2,-0.3 2,-0.7 -0.876 20.8-131.0-145.1 109.5 50.2 -21.1 4.6 87 92 A F + 0 0 45 -2,-0.3 104,-0.2 104,-0.3 -2,-0.0 -0.440 36.4 171.9 -58.2 105.1 50.9 -24.6 3.4 88 93 A D + 0 0 8 -2,-0.7 2,-0.2 102,-0.5 218,-0.2 0.051 18.0 139.4-110.8 24.8 50.7 -23.9 -0.3 89 94 A D + 0 0 29 101,-0.5 2,-0.2 216,-0.1 513,-0.1 -0.524 28.4 164.8 -70.2 135.6 51.9 -27.1 -1.9 90 95 A D - 0 0 10 -2,-0.2 2,-0.8 512,-0.1 215,-0.1 -0.783 47.4 -76.0-139.7-178.8 49.6 -27.9 -4.9 91 96 A N - 0 0 28 -2,-0.2 216,-0.3 213,-0.2 12,-0.1 -0.788 59.4-119.0 -87.5 113.1 49.5 -30.0 -8.0 92 97 A F - 0 0 37 -2,-0.8 2,-0.6 214,-0.1 216,-0.2 -0.201 17.5-144.9 -55.0 136.8 51.9 -28.3 -10.4 93 98 A I E -l 308 0E 0 214,-2.4 216,-3.0 10,-0.1 2,-0.5 -0.917 15.1-158.1-104.1 122.7 50.5 -27.0 -13.7 94 99 A Y E -l 309 0E 14 -2,-0.6 8,-2.6 214,-0.2 9,-0.8 -0.895 6.1-166.7-107.2 131.3 53.0 -27.4 -16.5 95 100 A I E -lM 310 101E 0 214,-2.2 216,-1.7 -2,-0.5 2,-0.3 -0.954 6.8-166.3-123.6 116.8 52.7 -25.2 -19.6 96 101 A D E > - M 0 100E 1 4,-3.7 4,-0.6 -2,-0.5 216,-0.1 -0.717 29.3-126.7 -91.7 147.3 54.5 -25.8 -22.9 97 102 A E T 4 S+ 0 0 75 214,-0.4 -1,-0.1 -2,-0.3 4,-0.1 0.907 106.4 29.5 -60.7 -39.2 54.4 -22.9 -25.3 98 103 A E T 4 S+ 0 0 113 1,-0.1 3,-0.1 2,-0.1 -1,-0.1 0.973 126.5 35.2 -81.0 -74.6 53.1 -25.2 -28.0 99 104 A R T 4 S- 0 0 81 1,-0.2 -2,-0.1 -4,-0.0 -1,-0.1 0.149 93.1-146.2 -73.1 19.6 51.1 -28.0 -26.5 100 105 A G E < +M 96 0E 12 -4,-0.6 -4,-3.7 -5,-0.1 2,-0.3 -0.208 66.4 18.0 52.1-132.6 49.7 -25.8 -23.7 101 106 A R E +M 95 0E 75 -6,-0.3 -6,-0.2 1,-0.1 -8,-0.0 -0.523 56.2 168.4 -74.6 134.2 49.1 -27.7 -20.4 102 107 A V > + 0 0 0 -8,-2.6 3,-0.7 -2,-0.3 8,-0.4 0.318 38.5 115.5-124.5 2.6 51.0 -31.0 -20.1 103 108 A D T 3 S+ 0 0 11 -9,-0.8 5,-0.1 1,-0.2 -10,-0.1 -0.287 82.4 5.3 -72.5 161.2 50.5 -31.7 -16.4 104 109 A H T 3 S+ 0 0 45 -12,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.791 88.0 169.0 33.1 47.6 48.4 -34.7 -15.2 105 110 A D <> - 0 0 38 -3,-0.7 4,-2.5 1,-0.1 -1,-0.2 -0.781 35.3-147.7 -93.6 127.2 48.1 -35.9 -18.8 106 111 A K T 4 S+ 0 0 103 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.671 98.7 33.2 -66.2 -19.0 46.7 -39.4 -19.3 107 112 A E T 4 S+ 0 0 94 473,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.807 124.9 39.9-103.2 -45.9 48.8 -40.0 -22.4 108 113 A L T 4 S- 0 0 0 -5,-0.1 -2,-0.2 46,-0.1 44,-0.1 0.890 76.3-174.5 -71.2 -39.7 52.0 -38.0 -21.6 109 114 A L >X + 0 0 23 -4,-2.5 4,-1.3 1,-0.1 3,-1.1 0.845 14.9 166.2 45.6 43.7 52.1 -39.0 -18.0 110 115 A L H 3> + 0 0 0 -8,-0.4 4,-2.1 1,-0.3 3,-0.4 0.895 65.5 55.8 -54.9 -51.3 55.0 -36.7 -17.4 111 116 A E H 3> S+ 0 0 53 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.734 105.0 57.3 -57.7 -21.7 55.0 -36.7 -13.6 112 117 A I H <> S+ 0 0 30 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.907 108.1 42.3 -78.6 -41.3 55.3 -40.5 -13.7 113 118 A V H X S+ 0 0 0 -4,-1.3 4,-2.8 -3,-0.4 -2,-0.2 0.805 109.3 60.1 -74.4 -25.0 58.5 -40.6 -15.7 114 119 A D H X S+ 0 0 18 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.957 104.6 51.0 -61.9 -45.6 59.8 -37.8 -13.6 115 120 A N H X S+ 0 0 107 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.936 110.8 46.5 -55.9 -47.4 59.3 -40.1 -10.7 116 121 A E H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.871 111.1 53.4 -63.9 -35.5 61.2 -42.8 -12.6 117 122 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.926 107.3 50.6 -62.9 -46.3 63.9 -40.3 -13.4 118 123 A S H X S+ 0 0 43 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.920 112.5 46.4 -57.9 -45.6 64.3 -39.3 -9.8 119 124 A K H X S+ 0 0 35 -4,-2.2 4,-3.1 -5,-0.2 -1,-0.2 0.855 109.8 54.5 -66.4 -35.3 64.7 -43.0 -8.8 120 125 A F H X S+ 0 0 4 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.880 110.0 46.9 -64.4 -41.0 67.1 -43.5 -11.7 121 126 A A H X S+ 0 0 4 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.908 113.3 48.2 -67.5 -43.3 69.3 -40.7 -10.3 122 127 A E H >X S+ 0 0 76 -4,-2.3 4,-2.4 1,-0.2 3,-0.6 0.948 112.2 49.0 -61.4 -48.6 69.0 -42.0 -6.8 123 128 A L H 3< S+ 0 0 40 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.745 108.2 56.7 -64.0 -21.7 70.0 -45.5 -8.0 124 129 A E H 3< S+ 0 0 36 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.830 120.5 25.0 -79.1 -32.3 72.9 -44.0 -9.9 125 130 A F H << S+ 0 0 34 -4,-1.5 -2,-0.2 -3,-0.6 -3,-0.1 0.529 103.3 74.9-111.4 -7.9 74.4 -42.3 -6.8 126 131 A H S < S+ 0 0 149 -4,-2.4 2,-1.6 1,-0.3 -3,-0.1 0.847 92.4 62.6 -71.2 -32.4 73.3 -44.4 -3.8 127 132 A Q S S- 0 0 105 -4,-0.5 2,-1.5 -5,-0.3 -1,-0.3 -0.680 84.8-173.4 -89.3 79.2 75.8 -47.0 -5.0 128 133 A H + 0 0 118 -2,-1.6 -3,-0.1 -3,-0.1 -2,-0.1 -0.541 23.8 144.3 -86.2 80.3 78.7 -44.6 -4.5 129 134 A L S S- 0 0 119 -2,-1.5 2,-0.6 1,-0.1 3,-0.2 0.470 91.2 -40.4 -77.8-130.0 81.8 -46.2 -5.8 130 135 A G S S+ 0 0 74 1,-0.2 -1,-0.1 2,-0.0 -2,-0.1 -0.290 86.9 176.8 -91.6 47.3 84.1 -43.7 -7.4 131 136 A V - 0 0 27 -2,-0.6 -1,-0.2 -6,-0.1 -2,-0.0 0.674 16.4-153.7 -16.0 -72.9 80.8 -42.3 -8.7 132 137 A S - 0 0 93 -3,-0.2 -3,-0.1 -7,-0.1 -1,-0.0 0.662 14.6-123.6 83.4 112.6 82.0 -39.2 -10.5 133 138 A D - 0 0 32 307,-0.2 2,-0.3 46,-0.0 45,-0.1 -0.222 28.3-178.7 -81.3 174.7 79.4 -36.5 -10.8 134 139 A C - 0 0 40 43,-0.1 45,-3.7 306,-0.0 46,-0.5 -0.917 39.1 -68.3-159.1 176.1 78.1 -34.8 -13.9 135 140 A S B > -S 178 0F 12 -2,-0.3 4,-1.6 43,-0.2 43,-0.2 -0.386 41.2-117.0 -76.2 156.1 75.6 -32.0 -14.7 136 141 A F H >> S+ 0 0 0 41,-2.1 4,-2.1 38,-0.7 3,-1.0 0.959 118.0 55.7 -54.2 -51.2 71.9 -32.6 -14.1 137 142 A F H 3> S+ 0 0 17 37,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.913 106.1 50.4 -43.6 -53.9 71.4 -32.2 -17.9 138 143 A Q H 3> S+ 0 0 44 36,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.805 108.0 54.2 -58.1 -32.2 73.9 -35.0 -18.5 139 144 A L H < S+ 0 0 23 -4,-2.5 3,-1.0 1,-0.2 4,-0.2 0.973 113.5 41.1 -57.7 -61.1 69.4 -43.1 -23.3 146 151 A Q H 3< S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.747 125.6 35.9 -61.7 -25.6 69.0 -46.1 -21.1 147 152 A R H >< S+ 0 0 2 -4,-2.4 3,-2.6 -5,-0.2 -1,-0.2 0.296 75.5 115.3-116.8 12.3 65.2 -46.0 -21.1 148 153 A R G X< S+ 0 0 61 -3,-1.0 3,-1.4 -4,-0.9 -1,-0.1 0.788 72.5 63.4 -52.0 -32.3 64.4 -44.9 -24.6 149 154 A Q G 3 S+ 0 0 64 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.634 107.0 45.0 -69.9 -9.9 62.7 -48.2 -25.3 150 155 A F G < S+ 0 0 18 -3,-2.6 2,-0.4 2,-0.1 -1,-0.3 0.103 99.5 81.5-122.4 23.5 60.2 -47.4 -22.6 151 156 A L < - 0 0 10 -3,-1.4 2,-0.1 -7,-0.1 0, 0.0 -0.984 69.9-132.5-130.4 140.0 59.3 -43.8 -23.5 152 157 A T > - 0 0 53 -2,-0.4 4,-1.9 -44,-0.1 5,-0.2 -0.323 36.1-104.5 -77.1 172.2 57.0 -42.4 -26.1 153 158 A N H > S+ 0 0 85 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.895 120.9 52.5 -70.0 -36.4 58.3 -39.7 -28.3 154 159 A D H > S+ 0 0 44 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.826 108.2 51.3 -67.0 -31.9 56.4 -37.0 -26.5 155 160 A Q H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.923 109.0 49.8 -71.2 -43.4 57.7 -38.1 -23.1 156 161 A I H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.792 115.8 46.4 -63.7 -26.2 61.3 -38.0 -24.4 157 162 A R H < S+ 0 0 11 -4,-1.3 4,-0.3 -5,-0.2 -2,-0.2 0.947 125.0 25.0 -81.7 -50.4 60.5 -34.5 -25.7 158 163 A Y H >X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.1 3,-1.1 0.824 107.2 70.9 -87.3 -33.3 58.8 -33.0 -22.7 159 164 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 5,-0.3 0.935 96.1 53.5 -49.1 -55.8 60.1 -35.0 -19.7 160 165 A P H 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.770 114.7 43.2 -52.6 -26.8 63.7 -33.5 -19.9 161 166 A Q H X4 S+ 0 0 21 -3,-1.1 3,-0.8 -4,-0.3 151,-0.2 0.832 111.7 52.0 -88.3 -36.2 62.1 -30.0 -19.8 162 167 A L H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 -3,-0.2 0.927 104.6 55.6 -65.7 -43.9 59.5 -30.7 -17.0 163 168 A C G >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.584 88.4 82.1 -67.7 -5.4 62.1 -32.2 -14.7 164 169 A R G X + 0 0 12 -3,-0.8 3,-1.7 -5,-0.3 4,-0.4 0.393 59.3 93.1 -80.1 4.9 64.0 -28.9 -15.0 165 170 A Y G X S+ 0 0 34 -3,-1.5 3,-1.8 1,-0.3 -1,-0.3 0.830 72.4 74.9 -63.9 -25.7 61.7 -27.3 -12.4 166 171 A L G X> S+ 0 0 8 -3,-1.2 3,-2.3 1,-0.3 4,-1.4 0.736 76.8 73.0 -57.0 -23.8 64.6 -28.4 -10.2 167 172 A E H <>>S+ 0 0 0 -3,-1.7 4,-3.7 1,-0.3 5,-1.0 0.907 93.0 56.0 -58.6 -37.0 66.7 -25.5 -11.5 168 173 A L H <45S+ 0 0 4 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.323 100.4 58.2 -79.4 11.1 64.4 -23.3 -9.4 169 174 A W H <45S+ 0 0 64 -3,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.731 122.5 23.1-100.0 -36.4 65.3 -25.3 -6.3 170 175 A H H <5S- 0 0 11 -4,-1.4 119,-0.2 -3,-0.3 -2,-0.2 0.674 98.8-122.6-101.4 -26.1 69.0 -24.6 -6.8 171 176 A G T <5S+ 0 0 0 -4,-3.7 117,-1.8 -5,-0.3 197,-1.2 0.708 74.2 116.4 86.1 19.9 69.1 -21.4 -8.8 172 177 A L B > - 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0 0 136 -2,-0.1 3,-0.3 -4,-0.1 -2,-0.1 0.281 46.8-172.4 132.4 92.1 92.0 -6.5 -3.3 261 266 A K S S+ 0 0 146 1,-0.2 2,-1.4 7,-0.0 5,-0.1 0.776 70.3 75.9 -80.9 -27.4 90.8 -5.1 0.1 262 267 A N + 0 0 166 2,-0.1 2,-0.5 3,-0.1 -1,-0.2 -0.246 62.9 125.3 -85.0 51.6 88.5 -2.3 -1.3 263 268 A L S > S- 0 0 48 -2,-1.4 3,-2.5 -3,-0.3 2,-0.1 -0.941 72.0-106.6-109.1 126.9 85.6 -4.6 -2.2 264 269 A R T 3 S+ 0 0 163 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.309 106.9 10.5 -53.5 117.6 82.3 -3.7 -0.7 265 270 A G T 3 S+ 0 0 7 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.185 92.4 136.8 98.8 -18.2 81.6 -6.3 1.9 266 271 A R < - 0 0 13 -3,-2.5 2,-0.4 -5,-0.1 -1,-0.3 -0.474 41.4-151.3 -69.6 127.4 85.1 -7.9 1.9 267 272 A I - 0 0 3 -15,-0.3 2,-0.7 -2,-0.3 -47,-0.3 -0.831 7.6-139.5-101.0 134.9 86.5 -8.6 5.3 268 273 A E E -e 220 0A 39 -49,-2.4 -47,-2.2 -2,-0.4 2,-0.4 -0.844 19.1-154.9 -95.6 116.6 90.3 -8.5 5.8 269 274 A F E -e 221 0A 8 -2,-0.7 -47,-0.2 -49,-0.2 4,-0.0 -0.773 1.0-147.9 -97.5 135.9 91.4 -11.3 8.1 270 275 A Q E S+e 222 0A 89 -49,-1.9 -47,-4.3 1,-0.4 -2,-0.0 -0.884 100.4 29.3-144.7 108.6 94.6 -11.2 10.1 271 276 A P S S- 0 0 67 0, 0.0 -1,-0.4 0, 0.0 3,-0.1 0.524 118.5-117.6 -65.0 154.6 95.8 -13.8 10.4 272 277 A P - 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