==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-JAN-01 1H81 . COMPND 2 MOLECULE: POLYAMINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR C.BINDA,A.CODA,R.ANGELINI,R.FEDERICO,P.ASCENZI,A.MATTEVI . 1383 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 981 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 130 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 372 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.0 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 2 6 1 8 6 3 0 3 0 0 3 0 0 0 1 0 2 0 1 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 9 5 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 PARALLEL BRIDGES PER LADDER . 15 0 12 12 2 1 3 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 . 6 3 3 0 3 3 0 0 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 5 A P 0 0 64 0, 0.0 2,-0.5 0, 0.0 25,-0.4 0.000 360.0 360.0 360.0 153.3 154.5 64.2 -29.4 2 6 A R - 0 0 68 23,-0.1 254,-2.4 22,-0.1 255,-1.4 -0.790 360.0-173.2 -91.7 135.4 155.2 61.6 -26.8 3 7 A V E -ab 27 257A 0 23,-2.4 25,-2.1 -2,-0.5 2,-0.5 -0.988 15.9-152.1-132.6 133.2 152.8 61.8 -23.9 4 8 A I E -ab 28 258A 0 253,-2.7 255,-3.0 -2,-0.4 2,-0.6 -0.852 10.9-158.0-100.8 133.6 152.9 59.9 -20.7 5 9 A V E -ab 29 259A 0 23,-3.3 25,-2.9 -2,-0.5 2,-0.8 -0.960 9.6-144.2-111.2 123.6 149.5 59.3 -19.1 6 10 A V E +ab 30 260A 10 253,-3.5 255,-2.3 -2,-0.6 256,-0.2 -0.821 68.5 15.0 -93.9 116.4 149.6 58.6 -15.4 7 11 A G - 0 0 9 23,-3.7 24,-0.2 -2,-0.8 23,-0.1 0.377 60.7-132.4 95.9 134.1 147.0 56.1 -14.5 8 12 A A + 0 0 0 27,-0.2 29,-3.5 4,-0.2 30,-0.2 -0.289 64.1 121.6-107.9 40.2 144.8 53.7 -16.5 9 13 A G B > S-f 37 0B 12 27,-0.2 4,-2.4 28,-0.2 5,-0.4 -0.193 86.7 -72.8 -85.7-172.4 141.5 54.6 -14.8 10 14 A M H > S+ 0 0 8 27,-0.6 4,-2.4 1,-0.2 5,-0.2 0.928 133.5 44.7 -51.9 -48.8 138.6 55.8 -16.9 11 15 A S H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.887 112.6 50.7 -69.1 -36.2 140.0 59.3 -17.5 12 16 A G H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.947 115.4 40.9 -65.5 -45.3 143.5 58.0 -18.4 13 17 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.908 116.6 51.3 -68.7 -39.0 142.3 55.5 -20.9 14 18 A S H X S+ 0 0 2 -4,-2.4 4,-1.8 -5,-0.4 -1,-0.2 0.879 112.5 45.3 -64.9 -39.4 139.8 58.0 -22.2 15 19 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.941 112.7 49.5 -70.2 -47.3 142.4 60.7 -22.6 16 20 A A H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.923 110.2 53.1 -58.5 -41.3 144.9 58.4 -24.2 17 21 A K H X S+ 0 0 26 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.925 109.7 47.1 -59.9 -42.7 142.2 57.3 -26.5 18 22 A R H X S+ 0 0 56 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.846 112.5 49.4 -67.8 -32.9 141.4 60.8 -27.5 19 23 A L H ><>S+ 0 0 0 -4,-2.2 5,-3.2 2,-0.2 3,-1.3 0.940 109.2 51.5 -68.9 -48.8 145.0 61.6 -28.0 20 24 A S H ><5S+ 0 0 24 -4,-3.3 3,-2.8 1,-0.3 -2,-0.2 0.952 107.6 54.4 -54.4 -45.6 145.5 58.6 -30.2 21 25 A E H 3<5S+ 0 0 111 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.756 104.1 52.7 -62.5 -22.0 142.5 59.8 -32.1 22 26 A A T <<5S- 0 0 25 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.330 129.4-103.7 -89.6 4.4 144.2 63.1 -32.7 23 27 A G T < 5S+ 0 0 49 -3,-2.8 2,-1.3 1,-0.3 -3,-0.3 0.512 83.6 132.2 89.9 1.6 147.0 60.9 -33.9 24 28 A I < + 0 0 4 -5,-3.2 -1,-0.3 1,-0.2 -2,-0.2 -0.777 18.8 149.4 -89.5 105.3 149.2 61.3 -30.8 25 29 A T + 0 0 71 -2,-1.3 2,-2.4 -3,-0.1 -1,-0.2 0.422 38.5 97.1-113.6 -7.1 149.9 57.6 -30.5 26 30 A D + 0 0 76 -25,-0.4 -23,-2.4 -3,-0.2 2,-0.3 -0.519 62.6 145.9 -81.5 73.8 153.4 57.8 -29.0 27 31 A L E -a 3 0A 1 -2,-2.4 2,-0.4 -25,-0.2 -23,-0.2 -0.807 39.7-163.2-113.8 158.0 151.8 57.4 -25.6 28 32 A L E -a 4 0A 10 -25,-2.1 -23,-3.3 -2,-0.3 2,-0.6 -0.961 9.2-162.0-142.8 113.1 153.0 55.6 -22.5 29 33 A I E -ac 5 227A 0 197,-3.6 199,-3.5 -2,-0.4 2,-0.6 -0.903 4.6-164.7-100.7 118.1 150.3 54.8 -20.0 30 34 A L E -ac 6 228A 1 -25,-2.9 -23,-3.7 -2,-0.6 2,-0.4 -0.950 7.4-175.3-109.9 115.8 151.8 54.1 -16.6 31 35 A E - 0 0 9 197,-2.5 200,-4.4 -2,-0.6 199,-0.1 -0.941 20.6-150.3-114.2 129.5 149.3 52.5 -14.1 32 36 A A S S+ 0 0 19 -2,-0.4 200,-0.2 198,-0.3 -1,-0.1 0.876 78.3 58.3 -66.4 -41.2 150.3 51.8 -10.6 33 37 A T S S- 0 0 15 2,-0.3 197,-3.5 198,-0.1 198,-0.4 -0.153 95.6-104.3 -83.5-177.5 148.1 48.7 -10.1 34 38 A D S S+ 0 0 102 195,-0.2 2,-0.3 196,-0.1 195,-0.1 0.121 99.8 40.1 -91.9 18.6 148.2 45.5 -12.0 35 39 A H S S- 0 0 29 0, 0.0 -2,-0.3 0, 0.0 3,-0.2 -0.974 77.3-116.3-157.4 169.7 145.1 46.4 -13.9 36 40 A I S S+ 0 0 3 -2,-0.3 -27,-0.2 1,-0.1 170,-0.1 -0.581 78.7 70.0-102.9 173.2 143.3 49.2 -15.6 37 41 A G B > -f 9 0B 1 -29,-3.5 3,-2.2 -2,-0.2 -27,-0.6 0.003 63.1-165.5 108.9 -27.7 139.9 50.7 -14.6 38 42 A G T 3 S+ 0 0 4 1,-0.3 15,-0.1 -3,-0.2 164,-0.1 -0.202 77.4 14.3 50.1-117.6 140.9 52.4 -11.4 39 43 A R T 3 S+ 0 0 44 14,-0.1 15,-2.3 1,-0.1 2,-0.8 0.452 116.9 75.1 -69.9 -1.9 137.8 53.3 -9.4 40 44 A M S < S+ 0 0 5 -3,-2.2 2,-0.3 13,-0.2 -1,-0.1 -0.950 72.0 142.2-108.3 103.3 135.6 51.0 -11.6 41 45 A H - 0 0 41 -2,-0.8 11,-3.0 13,-0.3 12,-1.0 -0.914 35.2-158.4-158.5 125.5 136.7 47.8 -10.2 42 46 A K E -G 51 0C 51 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.469 9.4-172.9 -96.6 169.0 135.0 44.5 -9.4 43 47 A T E -G 50 0C 47 7,-2.4 7,-3.2 -2,-0.2 2,-0.6 -0.995 32.0-101.7-158.3 156.8 135.9 41.8 -7.0 44 48 A N E +G 49 0C 95 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.707 42.7 169.7 -82.9 126.2 134.8 38.4 -6.1 45 49 A F E > S-G 48 0C 5 3,-5.8 3,-0.7 -2,-0.6 254,-0.1 -0.971 70.4 -12.0-134.8 123.7 132.8 38.4 -3.0 46 50 A A T 3 S- 0 0 29 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.923 131.9 -49.7 59.3 42.2 130.9 35.3 -1.9 47 51 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.715 125.1 90.0 66.9 21.6 131.3 33.7 -5.3 48 52 A I E < S-G 45 0C 19 -3,-0.7 -3,-5.8 290,-0.0 2,-0.7 -0.986 78.1-114.6-146.1 158.3 130.2 36.7 -7.1 49 53 A N E +G 44 0C 31 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.3 -0.834 36.8 177.5 -93.8 125.9 131.7 39.7 -8.6 50 54 A V E -G 43 0C 0 -7,-3.2 -7,-2.4 -2,-0.7 2,-0.6 -0.850 35.2-102.3-123.0 157.4 130.6 42.9 -6.9 51 55 A E E -G 42 0C 2 -2,-0.3 -9,-0.3 -9,-0.2 4,-0.0 -0.728 24.0-172.0 -81.0 119.4 131.8 46.4 -7.6 52 56 A L S S+ 0 0 24 -11,-3.0 244,-0.4 -2,-0.6 -10,-0.2 0.758 81.2 16.7 -74.2 -30.0 134.3 47.8 -5.1 53 57 A G S S+ 0 0 15 -12,-1.0 -13,-0.2 1,-0.4 -2,-0.1 0.174 121.0 10.2-111.9-131.9 134.0 51.2 -6.7 54 58 A A + 0 0 30 -15,-2.3 -1,-0.4 1,-0.1 -13,-0.3 -0.211 53.8 166.6 -53.8 146.7 131.5 52.8 -9.1 55 59 A N + 0 0 3 1,-0.2 140,-3.1 -3,-0.1 2,-0.3 0.486 50.9 59.1-138.9 -15.3 128.4 50.7 -9.6 56 60 A W E -H 194 0D 19 138,-0.2 2,-0.8 24,-0.1 380,-0.3 -0.894 65.3-135.6-121.9 156.6 125.8 52.8 -11.3 57 61 A V E -H 193 0D 0 136,-2.5 136,-2.2 -2,-0.3 2,-0.5 -0.914 41.0-155.9 -99.7 119.7 125.5 54.7 -14.6 58 62 A E E +H 192 0D 33 -2,-0.8 134,-0.2 134,-0.2 379,-0.1 -0.887 59.3 34.7-107.0 133.3 124.0 57.8 -13.1 59 63 A G E S+ 0 0 0 132,-2.3 2,-0.3 -2,-0.5 131,-0.2 0.753 73.6 158.6 93.5 84.8 122.0 60.3 -15.0 60 64 A V E +H 191 0D 2 131,-1.1 131,-1.6 1,-0.1 -1,-0.1 -0.977 49.2 28.3-141.1 150.0 119.9 58.3 -17.6 61 65 A N S S+ 0 0 97 -2,-0.3 128,-0.3 1,-0.2 129,-0.2 0.665 90.1 122.4 75.9 19.0 116.8 58.9 -19.5 62 66 A G S S- 0 0 33 126,-2.5 -1,-0.2 2,-0.5 126,-0.1 -0.249 81.8 -78.0-100.1-165.1 117.2 62.7 -19.6 63 67 A G S S+ 0 0 90 123,-0.3 2,-0.4 -3,-0.1 125,-0.2 0.624 115.1 44.7 -68.1 -12.3 117.5 65.3 -22.3 64 68 A K S S- 0 0 124 123,-1.2 2,-0.6 0, 0.0 -2,-0.5 -0.970 91.0-111.2-136.4 147.5 121.1 64.5 -23.0 65 69 A M - 0 0 93 -2,-0.4 -5,-0.1 -4,-0.1 124,-0.1 -0.666 23.9-130.1 -82.5 124.5 122.6 61.1 -23.5 66 70 A N > - 0 0 1 -2,-0.6 3,-1.9 122,-0.3 -5,-0.1 -0.576 19.9-137.6 -73.5 120.4 125.0 60.1 -20.8 67 71 A P T 3> S+ 0 0 33 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.692 99.8 54.8 -51.9 -26.1 128.0 59.0 -22.9 68 72 A I H 3> S+ 0 0 0 2,-0.1 4,-2.7 1,-0.1 5,-0.2 0.814 93.4 70.6 -81.6 -26.5 128.5 56.0 -20.7 69 73 A W H <> S+ 0 0 23 -3,-1.9 4,-5.0 1,-0.2 5,-0.5 0.946 96.0 47.8 -55.2 -52.4 125.0 54.6 -21.0 70 74 A P H >>S+ 0 0 44 0, 0.0 5,-2.8 0, 0.0 4,-2.0 0.896 112.6 51.6 -59.1 -37.5 125.1 53.5 -24.6 71 75 A I H <>S+ 0 0 14 -4,-0.6 5,-2.9 3,-0.2 6,-0.4 0.949 120.1 34.6 -66.7 -41.2 128.4 51.8 -23.9 72 76 A V H <5S+ 0 0 0 -4,-2.7 6,-3.0 3,-0.2 -3,-0.2 0.978 127.6 35.1 -74.6 -56.1 126.9 50.1 -21.0 73 77 A N H <5S+ 0 0 68 -4,-5.0 -2,-0.2 4,-0.2 -1,-0.1 0.826 136.0 10.8 -69.5 -33.7 123.4 49.5 -22.2 74 78 A S T <5S+ 0 0 70 -4,-2.0 -3,-0.2 -5,-0.5 -2,-0.1 0.796 124.1 46.0-109.5 -62.8 124.0 48.8 -25.9 75 79 A T T + 0 0 52 -2,-0.6 3,-1.4 1,-0.2 -1,-0.1 0.205 50.4 106.9-102.7 12.4 113.9 54.8 -4.6 86 90 A D T 3 S+ 0 0 115 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.684 74.0 53.2 -66.0 -20.2 110.3 55.4 -4.6 87 91 A Y T > + 0 0 53 -3,-0.3 3,-1.9 1,-0.2 4,-0.3 0.177 69.0 114.1-102.5 15.7 109.6 53.0 -1.7 88 92 A L G X + 0 0 10 -3,-1.4 3,-3.3 1,-0.3 228,-0.3 0.886 67.4 65.4 -54.0 -39.7 112.0 54.4 0.8 89 93 A A G 3 S+ 0 0 1 1,-0.3 3,-0.4 -3,-0.3 -1,-0.3 0.704 101.6 51.6 -56.3 -21.5 109.3 55.6 3.1 90 94 A Q G < S+ 0 0 59 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.468 108.7 53.8 -92.3 -4.0 108.4 52.0 3.7 91 95 A N < + 0 0 1 -3,-3.3 225,-2.8 -4,-0.3 2,-0.7 -0.169 66.7 119.6-128.2 42.6 111.9 51.1 4.5 92 96 A V E -j 316 0E 0 -3,-0.4 8,-2.5 8,-0.3 2,-0.3 -0.926 50.7-148.1-110.0 111.4 113.2 53.3 7.2 93 97 A Y E -jK 317 99E 11 223,-3.5 225,-2.9 -2,-0.7 6,-0.3 -0.643 12.8-123.7 -82.1 135.9 114.2 51.2 10.2 94 98 A K E -j 318 0E 90 4,-4.8 3,-0.4 -2,-0.3 4,-0.2 -0.417 28.4-114.0 -71.1 148.9 113.9 52.6 13.7 95 99 A E S S+ 0 0 46 223,-0.6 2,-0.5 1,-0.3 -1,-0.1 0.854 113.1 33.3 -55.4 -34.5 117.2 52.5 15.6 96 100 A D S S- 0 0 105 1,-0.2 -1,-0.3 222,-0.1 276,-0.1 -0.893 129.8 -20.2-134.2 98.8 115.7 50.1 18.0 97 101 A G S S- 0 0 26 274,-1.7 -1,-0.2 -2,-0.5 275,-0.2 0.980 94.2 -12.7 68.5 117.5 113.3 47.9 16.1 98 102 A G S S- 0 0 27 274,-1.1 -4,-4.8 273,-0.4 2,-0.2 0.063 80.0 -52.9 71.5 172.7 111.3 47.9 12.9 99 103 A V B -K 93 0E 58 -6,-0.3 -6,-0.3 1,-0.1 3,-0.1 -0.566 50.2-113.0 -89.5 155.4 110.3 50.4 10.4 100 104 A Y - 0 0 48 -8,-2.5 -8,-0.3 -2,-0.2 2,-0.2 -0.324 51.7 -74.0 -74.1 164.1 108.7 53.8 11.0 101 105 A D > - 0 0 101 1,-0.2 4,-2.9 -2,-0.1 5,-0.2 -0.393 43.1-136.7 -61.0 125.7 105.2 54.6 9.8 102 106 A E H > S+ 0 0 92 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.896 101.1 51.4 -58.3 -42.0 105.4 55.0 6.1 103 107 A D H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.937 109.3 50.6 -64.8 -40.9 103.2 58.0 6.0 104 108 A Y H > S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.979 115.0 44.0 -58.2 -51.3 105.2 59.7 8.7 105 109 A V H X S+ 0 0 0 -4,-2.9 4,-3.0 -16,-0.3 5,-0.3 0.919 107.9 57.5 -61.1 -41.7 108.4 59.0 6.7 106 110 A Q H X S+ 0 0 58 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.902 107.4 49.0 -58.5 -39.0 106.9 60.0 3.4 107 111 A K H X S+ 0 0 118 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.925 109.7 51.0 -67.3 -38.3 106.1 63.4 4.8 108 112 A R H X S+ 0 0 66 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.944 111.9 48.2 -61.5 -43.0 109.7 63.8 6.2 109 113 A I H X S+ 0 0 24 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.938 110.9 51.9 -61.2 -43.7 111.0 62.8 2.7 110 114 A E H X S+ 0 0 86 -4,-2.8 4,-3.3 -5,-0.3 5,-0.2 0.921 109.0 48.2 -61.0 -42.7 108.7 65.3 1.2 111 115 A L H X S+ 0 0 77 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.953 112.9 50.0 -61.9 -44.0 109.8 68.1 3.4 112 116 A A H X S+ 0 0 23 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.904 113.5 44.4 -58.5 -45.2 113.3 67.2 2.6 113 117 A D H X S+ 0 0 52 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.901 111.6 53.6 -65.3 -41.7 112.7 67.1 -1.1 114 118 A S H X S+ 0 0 49 -4,-3.3 4,-2.6 -5,-0.3 5,-0.2 0.947 108.6 49.4 -60.6 -43.0 110.8 70.3 -0.9 115 119 A V H X S+ 0 0 11 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.948 109.7 50.4 -61.9 -44.3 113.6 72.0 0.9 116 120 A E H X S+ 0 0 37 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.927 108.1 54.6 -59.5 -40.4 116.2 70.8 -1.6 117 121 A E H X S+ 0 0 108 -4,-2.7 4,-2.7 1,-0.3 5,-0.2 0.940 107.4 48.2 -61.0 -44.1 113.9 72.1 -4.4 118 122 A M H X S+ 0 0 68 -4,-2.6 4,-2.5 1,-0.2 -1,-0.3 0.920 108.9 56.3 -62.0 -34.5 113.9 75.5 -2.8 119 123 A G H X S+ 0 0 0 -4,-2.6 4,-3.2 -5,-0.2 -2,-0.3 0.901 104.4 52.7 -63.3 -35.0 117.6 75.1 -2.6 120 124 A E H X S+ 0 0 72 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.954 108.5 48.9 -65.6 -44.2 117.7 74.6 -6.3 121 125 A K H X S+ 0 0 160 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.940 114.4 45.9 -59.4 -41.7 115.8 77.7 -7.0 122 126 A L H >< S+ 0 0 13 -4,-2.5 3,-1.3 -5,-0.2 4,-0.4 0.935 107.8 56.4 -67.1 -43.5 118.1 79.6 -4.8 123 127 A S H >< S+ 0 0 10 -4,-3.2 3,-2.1 1,-0.3 -1,-0.2 0.908 100.2 59.8 -54.1 -43.5 121.1 78.1 -6.3 124 128 A A H 3< S+ 0 0 85 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.814 103.6 52.9 -58.1 -27.0 120.0 79.3 -9.7 125 129 A T T << S+ 0 0 83 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.555 84.3 108.9 -87.8 -5.0 120.1 82.8 -8.4 126 130 A L S < S- 0 0 17 -3,-2.1 2,-0.2 -4,-0.4 7,-0.0 -0.387 76.2-101.5 -71.4 155.5 123.6 82.8 -7.0 127 131 A H > - 0 0 86 1,-0.1 3,-3.1 -2,-0.1 5,-0.4 -0.478 22.7-125.4 -75.3 139.3 126.5 84.7 -8.7 128 132 A A T 3 S+ 0 0 88 1,-0.3 280,-0.5 -2,-0.2 -1,-0.1 0.800 107.9 70.7 -53.8 -31.0 128.9 82.8 -10.9 129 133 A S T 3 S- 0 0 36 1,-0.1 -1,-0.3 278,-0.1 280,-0.1 0.693 106.4-127.9 -62.2 -14.1 131.7 84.2 -8.9 130 134 A G X + 0 0 13 -3,-3.1 3,-2.4 277,-0.1 -1,-0.1 0.464 68.0 136.2 81.3 -2.5 130.4 81.9 -6.1 131 135 A R T 3 S+ 0 0 121 1,-0.3 736,-0.2 -4,-0.1 -3,-0.1 0.726 75.9 36.6 -54.9 -18.6 130.4 85.0 -3.8 132 136 A D T 3 S+ 0 0 31 -5,-0.4 -1,-0.3 734,-0.1 -4,-0.1 0.252 86.7 130.3-114.7 11.8 127.0 84.0 -2.4 133 137 A D < - 0 0 10 -3,-2.4 2,-0.3 -6,-0.1 42,-0.1 -0.245 33.3-177.6 -58.4 162.5 127.5 80.3 -2.4 134 138 A M - 0 0 3 40,-0.1 42,-3.1 732,-0.0 43,-0.5 -0.948 33.8 -88.6-154.0 164.9 126.6 78.5 0.9 135 139 A S B > -P 175 0F 15 -2,-0.3 4,-1.9 729,-0.2 40,-0.2 -0.410 40.6-114.3 -71.7 160.0 126.7 74.9 2.2 136 140 A I H > S+ 0 0 0 38,-1.7 4,-3.1 35,-1.4 36,-0.2 0.890 120.1 58.8 -62.5 -34.6 123.6 72.9 1.5 137 141 A L H > S+ 0 0 25 34,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.912 102.4 52.5 -58.0 -43.7 123.1 72.9 5.3 138 142 A A H > S+ 0 0 3 33,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 109.6 49.3 -59.8 -41.3 123.1 76.7 5.2 139 143 A M H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.918 109.4 51.7 -65.1 -42.1 120.4 76.5 2.5 140 144 A Q H X S+ 0 0 6 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.931 109.7 48.7 -61.3 -43.6 118.4 74.0 4.6 141 145 A R H X>S+ 0 0 5 -4,-2.7 4,-1.6 1,-0.2 5,-1.2 0.938 113.0 49.8 -59.6 -42.5 118.5 76.3 7.7 142 146 A L H <5S+ 0 0 14 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.889 114.8 42.2 -64.0 -41.3 117.4 79.1 5.5 143 147 A N H <5S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.849 122.4 38.3 -80.1 -28.5 114.5 77.2 4.0 144 148 A E H <5S- 0 0 57 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.540 100.1-131.2 -93.3 -10.0 113.4 75.7 7.1 145 149 A H T <5 + 0 0 64 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.958 63.5 123.6 57.4 54.3 114.0 78.7 9.4 146 150 A Q S S- 0 0 43 1,-0.1 4,-3.5 4,-0.0 5,-0.3 -0.555 88.4-110.0 -83.4 161.7 116.1 63.8 14.3 153 157 A P H > S+ 0 0 31 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.891 118.8 45.9 -59.3 -40.1 117.4 60.3 13.4 154 158 A V H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.964 115.5 46.4 -69.5 -48.1 114.8 59.8 10.7 155 159 A D H > S+ 0 0 24 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.897 113.6 50.0 -60.0 -39.5 115.4 63.3 9.3 156 160 A M H X S+ 0 0 22 -4,-3.5 4,-2.8 2,-0.2 -1,-0.2 0.886 110.4 47.3 -67.2 -38.7 119.1 62.8 9.4 157 161 A V H X S+ 0 0 7 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.882 113.0 49.8 -73.7 -29.6 119.0 59.4 7.7 158 162 A V H X S+ 0 0 4 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.969 113.1 47.5 -67.7 -45.5 116.7 60.9 5.0 159 163 A D H X>S+ 0 0 7 -4,-2.9 4,-1.8 -5,-0.2 5,-0.6 0.894 112.8 48.8 -59.2 -42.7 119.2 63.8 4.8 160 164 A Y H <>S+ 0 0 6 -4,-2.8 5,-3.1 2,-0.2 6,-0.3 0.901 111.1 49.0 -66.6 -41.7 122.1 61.3 4.6 161 165 A Y H <5S+ 0 0 49 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.956 114.1 47.4 -66.4 -41.9 120.4 59.3 1.9 162 166 A K H <5S+ 0 0 31 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.790 134.0 4.4 -70.0 -24.6 119.6 62.4 -0.1 163 167 A F T >X5S+ 0 0 2 -4,-1.8 4,-4.0 -5,-0.2 3,-1.3 0.701 127.4 45.4-124.8 -62.0 123.1 63.9 0.1 164 168 A D H 3>> - 0 0 7 0, 0.0 3,-2.1 0, 0.0 4,-1.2 -0.293 33.3-113.2 -72.2 156.3 127.6 66.0 4.6 171 175 A P G >4 S+ 0 0 3 0, 0.0 -35,-1.4 0, 0.0 -34,-0.9 0.859 111.7 68.3 -55.5 -35.8 125.5 68.8 3.3 172 176 A R G 34 S+ 0 0 30 1,-0.3 -37,-0.1 -36,-0.2 -34,-0.1 0.716 106.4 36.4 -64.2 -18.3 127.2 71.2 5.7 173 177 A V G <4 S+ 0 0 5 -3,-2.1 231,-2.2 230,-0.1 2,-0.3 0.601 100.2 103.6-103.0 -9.2 130.5 71.0 3.9 174 178 A T B << S-Q 403 0G 1 -4,-1.2 -38,-1.7 -3,-0.6 2,-0.2 -0.568 75.1-121.3 -81.8 130.2 128.9 70.8 0.5 175 179 A S B -P 135 0F 0 227,-3.0 4,-0.3 -2,-0.3 5,-0.3 -0.366 18.8-160.6 -61.3 122.9 128.8 73.6 -2.0 176 180 A L S >> S+ 0 0 0 -42,-3.1 4,-3.1 -2,-0.2 3,-1.8 0.961 88.3 53.6 -68.3 -48.7 125.1 74.3 -2.7 177 181 A Q T 34 S+ 0 0 33 -43,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.896 113.4 43.2 -53.8 -40.2 125.8 76.2 -5.8 178 182 A N T 34 S+ 0 0 28 1,-0.2 -1,-0.3 224,-0.1 -2,-0.2 0.322 124.6 27.8 -95.6 13.7 127.8 73.4 -7.2 179 183 A T T <4 S+ 0 0 5 -3,-1.8 -2,-0.2 -4,-0.3 -3,-0.2 0.442 92.2 99.0-142.4 -17.4 125.8 70.4 -6.3 180 184 A V S < S+ 0 0 0 -4,-3.1 -1,-0.2 -5,-0.3 2,-0.1 -0.906 100.5 13.6-127.9 113.2 122.2 71.6 -6.2 181 185 A P S S- 0 0 56 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.622 99.7-137.6 -78.1 168.8 120.9 70.9 -8.7 182 186 A L >> - 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0 0 9 197,-2.7 200,-4.0 -2,-0.6 199,-0.1 -0.952 18.6-150.1-114.6 127.6 114.0 89.7 29.2 492 36 B A S S+ 0 0 20 -2,-0.5 200,-0.2 198,-0.3 -1,-0.1 0.918 78.1 56.3 -59.4 -49.0 112.4 86.4 28.2 493 37 B T S S- 0 0 18 2,-0.3 197,-3.0 197,-0.2 198,-0.4 -0.226 95.7-103.0 -83.7 177.9 113.5 84.6 31.4 494 38 B D S S+ 0 0 105 195,-0.2 2,-0.3 196,-0.1 195,-0.1 0.215 102.0 38.9 -80.5 12.4 113.0 85.2 35.0 495 39 B H S S- 0 0 27 0, 0.0 -2,-0.3 0, 0.0 3,-0.3 -0.989 75.4-115.6-155.7 170.2 116.6 86.4 35.1 496 40 B I S S+ 0 0 2 -2,-0.3 -27,-0.2 1,-0.1 170,-0.1 -0.620 78.7 65.1-103.2 171.8 119.4 88.4 33.5 497 41 B G B > -b 469 0L 1 -29,-3.3 3,-2.5 -2,-0.2 -27,-0.6 0.029 64.1-166.2 108.6 -25.6 122.7 87.1 32.2 498 42 B G T 3 S+ 0 0 4 -3,-0.3 15,-0.1 1,-0.3 164,-0.1 -0.212 78.0 17.5 48.2-115.1 121.4 84.8 29.4 499 43 B R T 3 S+ 0 0 49 14,-0.1 15,-2.4 1,-0.1 2,-0.8 0.494 116.9 74.8 -67.1 -4.9 124.3 82.6 28.3 500 44 B M S < S+ 0 0 5 -3,-2.5 2,-0.3 13,-0.2 15,-0.1 -0.935 71.9 138.4-103.8 105.5 126.2 83.4 31.5 501 45 B H - 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0 0 2 -3,-1.9 4,-0.5 -4,-0.2 10,-0.1 -0.552 61.3-141.7 -68.8 124.7 57.2 53.0 10.6 1353 434 C E T 4 S+ 0 0 51 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.948 91.6 0.5 -55.6 -45.0 54.7 54.7 12.9 1354 435 C H T 4 S+ 0 0 87 1,-0.1 -247,-0.3 7,-0.1 -248,-0.2 0.418 129.9 53.6-126.2 3.7 55.6 52.5 15.8 1355 436 C Y T >4 + 0 0 23 -6,-0.1 3,-1.9 6,-0.1 6,-0.3 -0.107 60.5 163.0-130.7 38.6 58.3 50.1 14.9 1356 437 C N T 3< + 0 0 18 -4,-0.5 -6,-0.2 1,-0.2 -249,-0.1 -0.264 68.5 33.6 -57.4 150.7 61.1 52.1 13.4 1357 438 C G T 3 S+ 0 0 15 1,-0.2 2,-0.2 -33,-0.1 -1,-0.2 0.253 100.3 99.4 90.4 -10.6 64.3 50.1 13.3 1358 439 C Y S <> S- 0 0 20 -3,-1.9 4,-2.6 -9,-0.2 -1,-0.2 -0.700 75.3-126.2-113.1 165.2 62.7 46.7 12.7 1359 440 C V H > S+ 0 0 16 -380,-0.3 4,-3.1 -2,-0.2 5,-0.2 0.948 118.7 48.7 -66.6 -44.2 62.1 44.2 10.0 1360 441 C H H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.859 109.2 54.0 -65.3 -29.9 58.4 44.2 11.0 1361 442 C G H > S+ 0 0 0 -6,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.937 110.1 46.0 -67.2 -44.3 58.6 48.0 11.0 1362 443 C A H X S+ 0 0 12 -4,-2.6 4,-1.7 2,-0.2 -14,-0.3 0.957 113.1 50.4 -61.9 -48.8 59.9 47.9 7.4 1363 444 C Y H X S+ 0 0 35 -4,-3.1 4,-1.3 1,-0.2 3,-0.4 0.944 115.4 40.9 -56.8 -51.4 57.3 45.4 6.4 1364 445 C L H X S+ 0 0 36 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.818 109.1 59.3 -70.8 -27.1 54.4 47.4 7.9 1365 446 C S H X S+ 0 0 0 -4,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.849 102.5 55.0 -69.4 -27.4 55.7 50.8 6.7 1366 447 C G H X S+ 0 0 0 -4,-1.7 4,-2.6 -3,-0.4 -1,-0.2 0.927 111.2 43.3 -67.2 -43.0 55.5 49.5 3.1 1367 448 C I H X S+ 0 0 32 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.951 116.0 48.6 -67.8 -43.7 51.9 48.6 3.5 1368 449 C D H X S+ 0 0 59 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.967 114.4 44.4 -61.2 -51.5 51.2 51.8 5.3 1369 450 C S H X S+ 0 0 4 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.889 112.7 51.7 -57.8 -44.7 52.9 53.9 2.8 1370 451 C A H X S+ 0 0 0 -4,-2.6 4,-3.6 -5,-0.3 -1,-0.2 0.972 108.4 53.3 -58.1 -48.4 51.4 52.0 -0.1 1371 452 C E H X S+ 0 0 67 -4,-3.0 4,-2.2 1,-0.3 -1,-0.2 0.856 106.9 49.8 -57.3 -38.0 48.0 52.6 1.4 1372 453 C I H X S+ 0 0 51 -4,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.924 113.9 46.3 -67.9 -38.5 48.4 56.3 1.7 1373 454 C L H X S+ 0 0 1 -4,-2.2 4,-3.5 1,-0.2 5,-0.5 0.935 110.0 54.5 -67.3 -42.9 49.5 56.4 -1.9 1374 455 C I H X>S+ 0 0 6 -4,-3.6 4,-2.6 -5,-0.2 5,-1.0 0.922 109.9 46.3 -59.1 -42.8 46.7 54.2 -2.9 1375 456 C N H X5S+ 0 0 50 -4,-2.2 6,-2.7 -5,-0.2 4,-0.6 0.911 116.5 44.3 -68.2 -38.0 44.1 56.5 -1.3 1376 457 C c H X5S+ 0 0 11 -4,-2.2 4,-0.9 4,-0.3 6,-0.2 0.980 124.4 33.5 -66.8 -54.7 45.7 59.6 -2.8 1377 458 C A H <5S+ 0 0 4 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.932 131.0 29.9 -68.4 -50.7 46.1 58.1 -6.3 1378 459 C Q H <5S+ 0 0 86 -4,-2.6 -3,-0.2 -5,-0.5 -2,-0.1 0.919 133.8 26.9 -81.0 -44.9 43.1 55.8 -6.5 1379 460 C K H <