==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-DEC-07 3BNM . COMPND 2 MOLECULE: POLYAMINE OXIDASE FMS1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Q.HUANG,Q.HAO . 996 5 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 688 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 10.6 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 . 9 0.9 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 . 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 . 79 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 268 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.9 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 1 3 3 0 6 1 1 4 2 0 1 1 0 2 0 1 0 1 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 . 2 6 3 7 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 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 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 8 B K 0 0 94 0, 0.0 2,-0.4 0, 0.0 238,-0.2 0.000 360.0 360.0 360.0 -13.2 148.2 38.6 98.2 2 9 B K E -a 239 0A 55 236,-2.4 238,-2.1 1,-0.2 239,-0.3 -0.831 360.0-150.0-109.0 142.0 146.1 37.9 95.1 3 10 B K E S+ 0 0 73 24,-2.4 238,-1.7 23,-0.4 2,-0.4 0.974 88.7 3.0 -66.4 -54.9 144.0 40.3 93.0 4 11 B V E -ab 241 28A 0 23,-0.6 25,-2.1 236,-0.2 2,-0.6 -0.999 59.2-161.3-138.5 135.4 141.5 37.6 92.0 5 12 B I E -ab 242 29A 0 236,-1.8 238,-1.6 -2,-0.4 2,-0.6 -0.967 14.9-158.3-115.9 115.5 141.2 33.9 92.9 6 13 B I E -ab 243 30A 0 23,-2.7 25,-2.5 -2,-0.6 2,-0.6 -0.839 4.4-151.3 -97.5 123.3 139.1 32.0 90.4 7 14 B I E +ab 244 31A 4 236,-2.1 238,-2.1 -2,-0.6 25,-0.2 -0.842 65.6 25.3 -98.4 117.2 137.6 28.7 91.7 8 15 B G - 0 0 9 23,-2.8 24,-0.2 -2,-0.6 23,-0.1 0.282 63.8-135.9 104.1 129.0 137.0 26.1 89.0 9 16 B A + 0 0 0 27,-0.2 29,-2.4 4,-0.1 30,-0.1 -0.154 61.8 121.4-109.6 37.6 138.8 25.7 85.7 10 17 B G S > S- 0 0 14 27,-0.2 4,-3.0 28,-0.2 5,-0.2 -0.149 88.6 -77.7 -81.7-172.0 135.8 25.1 83.5 11 18 B I H > S+ 0 0 18 27,-0.5 4,-2.2 1,-0.2 5,-0.2 0.846 133.3 52.6 -61.0 -31.9 135.1 27.4 80.6 12 19 B A H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.983 114.2 40.2 -65.6 -57.8 133.6 30.0 82.9 13 20 B G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.900 116.8 50.4 -58.7 -43.0 136.6 30.1 85.2 14 21 B L H X S+ 0 0 2 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.910 109.6 48.4 -64.8 -43.2 139.1 29.9 82.3 15 22 B K H X S+ 0 0 10 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.922 111.3 52.8 -63.2 -41.7 137.6 32.7 80.2 16 23 B A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.967 111.6 43.5 -56.2 -57.0 137.6 34.9 83.4 17 24 B A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.886 114.7 51.8 -57.3 -38.8 141.2 34.3 84.1 18 25 B S H X S+ 0 0 11 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.897 110.9 47.9 -63.9 -39.8 141.9 34.8 80.4 19 26 B T H X S+ 0 0 3 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.902 108.6 52.9 -68.8 -43.3 140.0 38.1 80.5 20 27 B L H ><>S+ 0 0 0 -4,-2.8 5,-1.6 2,-0.2 3,-1.2 0.969 111.0 46.1 -57.0 -55.2 141.8 39.4 83.6 21 28 B H H ><5S+ 0 0 89 -4,-2.1 3,-2.5 1,-0.3 -1,-0.2 0.937 107.9 58.7 -52.1 -48.5 145.2 38.8 82.1 22 29 B Q H 3<5S+ 0 0 135 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.764 105.6 50.2 -52.7 -29.7 143.9 40.4 78.8 23 30 B N T <<5S- 0 0 46 -4,-1.3 -1,-0.3 -3,-1.2 -2,-0.2 0.103 121.5-104.7 -99.1 21.8 143.2 43.6 80.8 24 31 B G T < 5S+ 0 0 54 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.440 70.7 143.6 75.3 0.4 146.6 43.8 82.5 25 32 B I < - 0 0 18 -5,-1.6 -1,-0.2 1,-0.0 2,-0.2 -0.565 29.5-168.5 -75.4 136.3 145.6 42.6 86.0 26 33 B Q + 0 0 143 -2,-0.3 -23,-0.4 1,-0.2 -22,-0.2 -0.657 50.4 51.7-120.1 175.2 148.3 40.5 87.6 27 34 B D S S+ 0 0 90 -2,-0.2 -24,-2.4 1,-0.2 -23,-0.6 0.965 72.1 148.2 63.1 58.5 148.7 38.2 90.6 28 35 B C E -b 4 0A 0 -26,-0.2 2,-0.2 -25,-0.2 -23,-0.2 -0.909 30.0-154.7-125.1 152.2 145.7 35.9 90.0 29 36 B L E -b 5 0A 12 -25,-2.1 -23,-2.7 -2,-0.3 2,-0.3 -0.767 9.8-156.6-121.4 166.5 145.0 32.2 90.7 30 37 B V E -bc 6 210A 0 179,-1.9 181,-2.8 -2,-0.2 2,-0.7 -0.865 13.6-162.7-144.6 102.4 142.7 29.4 89.4 31 38 B L E -bc 7 211A 1 -25,-2.5 -23,-2.8 -2,-0.3 2,-0.4 -0.809 10.6-179.0 -95.7 114.6 142.0 26.6 91.8 32 39 B E - 0 0 12 179,-1.4 182,-3.0 -2,-0.7 181,-0.4 -0.933 22.7-153.9-114.4 131.7 140.6 23.4 90.2 33 40 B A S S+ 0 0 21 -2,-0.4 182,-0.2 180,-0.3 -1,-0.1 0.914 78.4 67.0 -68.1 -44.3 139.7 20.3 92.2 34 41 B R S S- 0 0 27 2,-0.2 179,-2.6 179,-0.1 180,-0.3 -0.126 92.6-114.0 -69.9 172.5 140.3 17.8 89.3 35 42 B D S S+ 0 0 124 177,-0.2 2,-0.3 178,-0.1 -1,-0.1 0.021 97.3 46.3 -97.3 25.8 143.7 17.1 87.9 36 43 B R S S- 0 0 52 0, 0.0 3,-0.2 0, 0.0 -2,-0.2 -0.959 77.8-121.6-156.1 165.7 142.7 18.7 84.6 37 44 B V S S+ 0 0 38 -2,-0.3 -27,-0.2 1,-0.1 -26,-0.1 -0.424 75.2 74.9-102.1-178.7 140.9 21.7 83.2 38 45 B G > - 0 0 2 -29,-2.4 3,-2.1 -2,-0.2 -27,-0.5 0.006 64.6-158.2 105.2 -31.2 137.8 21.8 81.0 39 46 B G T 3 S+ 0 0 9 1,-0.3 -29,-0.1 -29,-0.2 396,-0.0 -0.333 80.5 1.7 56.9-123.1 135.2 21.0 83.6 40 47 B R T 3 S+ 0 0 63 -2,-0.1 16,-1.4 1,-0.1 2,-0.7 0.304 120.5 86.2 -79.8 11.9 132.2 19.7 81.8 41 48 B L < + 0 0 15 -3,-2.1 2,-0.4 14,-0.2 -1,-0.1 -0.892 57.6 154.6-111.0 98.0 134.1 20.0 78.6 42 49 B Q - 0 0 61 -2,-0.7 12,-1.7 14,-0.1 13,-0.9 -0.979 28.5-162.0-131.6 124.1 136.1 16.8 78.2 43 50 B T E -H 53 0B 30 -2,-0.4 10,-0.3 10,-0.3 2,-0.2 -0.902 19.6-169.1-103.3 115.3 137.3 15.2 75.0 44 51 B V E -H 52 0B 33 8,-2.8 8,-2.3 -2,-0.6 2,-0.4 -0.626 13.8-127.9-105.1 166.0 138.2 11.6 75.4 45 52 B T E +H 51 0B 92 6,-0.2 6,-0.2 -2,-0.2 2,-0.1 -0.903 32.5 152.4-116.7 138.2 140.1 9.0 73.2 46 53 B G > + 0 0 18 4,-2.5 3,-2.0 -2,-0.4 4,-0.2 -0.414 46.5 11.1-134.7-149.1 139.0 5.5 72.1 47 54 B Y G > S- 0 0 52 1,-0.3 3,-2.6 2,-0.2 -1,-0.3 0.061 128.9 -4.8 -37.4 132.5 139.4 3.0 69.3 48 55 B Q G 3 S- 0 0 129 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.714 127.1 -67.5 50.7 24.3 142.2 3.8 66.7 49 56 B G G < S+ 0 0 44 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.532 85.1 162.4 79.0 5.8 142.7 7.0 68.6 50 57 B R < - 0 0 30 -3,-2.6 -4,-2.5 -4,-0.2 2,-0.3 -0.242 28.8-138.2 -57.2 148.3 139.3 8.6 67.5 51 58 B K E -H 45 0B 112 -6,-0.2 2,-0.3 2,-0.0 -6,-0.2 -0.830 21.4-179.1-114.4 151.7 138.3 11.5 69.7 52 59 B Y E -H 44 0B 10 -8,-2.3 -8,-2.8 -2,-0.3 2,-1.3 -0.985 32.5-125.5-151.1 139.0 134.9 12.5 71.2 53 60 B D E -H 43 0B 7 -2,-0.3 -10,-0.3 -10,-0.3 138,-0.0 -0.694 25.7-178.0 -82.6 97.2 133.5 15.3 73.4 54 61 B I S S+ 0 0 9 -12,-1.7 -1,-0.2 -2,-1.3 -11,-0.2 0.633 77.9 36.3 -71.9 -11.6 132.0 13.2 76.2 55 62 B G S S- 0 0 12 -13,-0.9 -14,-0.2 1,-0.4 -2,-0.1 0.188 124.6 -0.9-107.9-130.6 130.8 16.5 77.6 56 63 B A + 0 0 35 -16,-1.4 -1,-0.4 1,-0.1 138,-0.2 -0.334 58.8 166.0 -62.9 141.4 129.6 19.4 75.5 57 64 B S + 0 0 3 1,-0.1 134,-3.2 -3,-0.1 2,-0.3 0.640 47.2 66.3-125.9 -32.8 129.7 18.9 71.7 58 65 B W E -I 190 0C 36 132,-0.2 2,-0.8 134,-0.1 420,-0.3 -0.743 62.2-137.9-107.9 150.0 127.7 21.6 70.0 59 66 B H E -I 189 0C 0 130,-2.6 130,-2.2 -2,-0.3 3,-0.3 -0.886 37.5-160.0 -94.6 110.5 127.8 25.4 69.4 60 67 B H + 0 0 41 -2,-0.8 8,-0.2 1,-0.2 5,-0.2 -0.473 61.5 19.3 -91.1 166.5 124.2 26.4 69.9 61 68 B D >> - 0 0 22 125,-0.5 4,-2.4 1,-0.2 3,-1.8 0.881 69.0-177.3 42.2 54.2 122.4 29.6 68.8 62 69 B T T 34 + 0 0 0 125,-1.5 124,-0.2 -3,-0.3 -1,-0.2 0.575 69.9 70.8 -59.0 -10.4 125.1 30.3 66.2 63 70 B L T 34 S+ 0 0 15 122,-1.5 -1,-0.3 124,-0.1 123,-0.1 0.792 122.5 7.7 -77.2 -28.1 123.4 33.5 65.1 64 71 B T T <4 S+ 0 0 60 -3,-1.8 -2,-0.2 121,-0.4 -1,-0.1 0.433 89.7 125.4-130.6 -6.8 124.3 35.3 68.4 65 72 B N X - 0 0 1 -4,-2.4 4,-2.5 120,-0.2 5,-0.2 -0.438 43.1-162.8 -61.1 104.0 126.7 32.8 70.2 66 73 B P H > S+ 0 0 33 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.836 87.1 53.9 -59.6 -36.3 129.7 35.1 70.8 67 74 B L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.946 110.7 46.9 -64.6 -46.6 132.0 32.1 71.5 68 75 B F H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 110.2 52.7 -59.3 -47.4 131.1 30.6 68.2 69 76 B L H X S+ 0 0 73 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.883 108.2 51.0 -56.9 -38.9 131.5 33.9 66.4 70 77 B E H X S+ 0 0 59 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.913 111.5 47.4 -64.4 -42.0 135.1 34.1 67.9 71 78 B E H X S+ 0 0 5 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.792 111.1 53.1 -67.6 -29.8 135.7 30.6 66.6 72 79 B A H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.923 105.8 51.6 -71.9 -45.7 134.3 31.6 63.2 73 80 B Q H X S+ 0 0 104 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.943 110.0 50.6 -55.0 -51.7 136.6 34.6 62.9 74 81 B L H >X S+ 0 0 47 -4,-2.0 4,-2.4 1,-0.2 3,-0.7 0.968 112.7 44.4 -50.7 -61.4 139.6 32.5 63.6 75 82 B S H 3X S+ 0 0 14 -4,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.838 110.3 56.0 -54.8 -35.5 138.7 29.9 61.0 76 83 B L H 3< S+ 0 0 98 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.892 112.8 43.1 -64.3 -37.1 137.8 32.7 58.6 77 84 B N H << S+ 0 0 121 -4,-2.3 -2,-0.2 -3,-0.7 -1,-0.2 0.851 127.3 25.5 -77.9 -36.8 141.4 34.0 59.0 78 85 B D H < S- 0 0 88 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.413 91.8-127.8-111.4 1.8 143.4 30.8 59.0 79 86 B G < + 0 0 67 -4,-2.0 2,-0.1 -5,-0.3 -4,-0.1 0.474 59.2 141.5 68.7 0.1 141.3 28.4 56.9 80 87 B R - 0 0 32 -6,-0.2 2,-0.6 1,-0.1 -1,-0.2 -0.457 55.6-116.7 -77.5 148.6 141.4 25.7 59.6 81 88 B T + 0 0 111 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.742 43.4 157.2 -86.4 120.1 138.3 23.5 60.4 82 89 B R - 0 0 61 -2,-0.6 110,-1.7 1,-0.3 2,-0.3 0.400 66.4 -1.4-118.1 -3.8 137.1 24.0 63.9 83 90 B F E -J 191 0C 26 108,-0.3 2,-0.3 109,-0.1 -1,-0.3 -0.983 55.8-138.3-173.6 169.0 133.5 22.9 63.5 84 91 B V E -J 190 0C 41 106,-1.8 106,-2.2 -2,-0.3 2,-1.2 -0.998 24.6-122.0-144.6 139.2 130.8 21.6 61.1 85 92 B F + 0 0 45 -2,-0.3 104,-0.2 104,-0.3 -2,-0.0 -0.719 38.1 170.0 -82.2 101.0 127.1 22.4 60.7 86 93 B D + 0 0 6 -2,-1.2 218,-0.2 102,-0.3 -1,-0.1 0.184 21.8 133.7-101.6 16.6 125.6 19.0 61.2 87 94 B D + 0 0 29 101,-0.6 2,-0.3 217,-0.0 527,-0.1 -0.382 32.0 160.5 -61.6 146.8 121.9 19.8 61.5 88 95 B D - 0 0 9 215,-0.1 2,-0.5 526,-0.0 215,-0.1 -0.954 47.4 -72.5-158.1 173.6 120.0 17.3 59.3 89 96 B N - 0 0 34 -2,-0.3 216,-0.4 213,-0.2 2,-0.1 -0.657 57.3-119.8 -78.3 125.8 116.6 15.8 58.7 90 97 B F - 0 0 60 -2,-0.5 2,-0.5 214,-0.1 216,-0.2 -0.396 15.9-148.8 -70.2 138.2 115.8 13.4 61.5 91 98 B I E -k 306 0D 1 214,-2.0 216,-2.5 -2,-0.1 2,-0.5 -0.920 15.4-157.1-104.9 128.3 115.2 9.8 60.8 92 99 B Y E -k 307 0D 15 -2,-0.5 8,-2.1 214,-0.2 9,-0.6 -0.924 5.7-162.4-111.7 134.2 112.8 8.3 63.3 93 100 B I E -kL 308 99D 0 214,-2.4 216,-2.9 -2,-0.5 2,-0.5 -0.958 10.3-168.2-124.7 126.7 112.7 4.6 64.0 94 101 B D E > -kL 309 98D 2 4,-2.9 4,-2.9 -2,-0.4 216,-0.1 -0.916 30.2-126.9-105.8 132.0 109.9 2.4 65.7 95 102 B E T 4 S+ 0 0 74 214,-0.6 -1,-0.1 -2,-0.5 4,-0.1 0.855 105.4 27.1 -43.7 -48.3 111.0 -1.1 66.6 96 103 B E T 4 S+ 0 0 144 2,-0.1 -1,-0.2 1,-0.1 215,-0.0 0.879 129.5 36.2 -86.0 -44.6 108.1 -2.7 64.8 97 104 B R T 4 S- 0 0 103 1,-0.3 2,-0.3 3,-0.0 -2,-0.2 0.708 91.5-150.7 -86.3 -20.4 107.2 -0.3 62.0 98 105 B G E < +L 94 0D 8 -4,-2.9 -4,-2.9 2,-0.0 -1,-0.3 -0.654 60.5 19.2 86.9-144.1 110.7 0.9 61.2 99 106 B R E +L 93 0D 75 -2,-0.3 -6,-0.2 -6,-0.2 -8,-0.0 -0.358 52.1 168.3 -66.5 139.2 111.1 4.4 59.8 100 107 B V > + 0 0 0 -8,-2.1 3,-0.7 -2,-0.1 8,-0.4 0.229 37.7 118.2-132.4 7.4 108.3 6.9 60.5 101 108 B D T 3 S+ 0 0 16 -9,-0.6 -10,-0.1 1,-0.2 5,-0.1 -0.441 81.5 2.3 -79.5 151.9 110.0 10.2 59.5 102 109 B H T 3 S+ 0 0 47 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.828 89.2 176.4 41.2 44.5 108.8 12.4 56.6 103 110 B D <> - 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0 0 4 -2,-0.3 34,-0.2 -151,-0.3 33,-0.1 -0.286 52.2 -82.2 -61.6 152.3 110.1 4.0 72.7 311 318 B N - 0 0 81 32,-2.0 2,-0.3 34,-0.1 -1,-0.1 -0.136 51.5-168.8 -54.3 155.7 107.5 1.2 72.0 312 319 B S - 0 0 15 -3,-0.1 2,-0.3 -153,-0.0 -156,-0.1 -0.936 7.2-137.7-142.7 163.3 103.8 2.4 71.8 313 320 B T > - 0 0 77 -2,-0.3 4,-0.8 -158,-0.1 3,-0.4 -0.911 19.8-133.7-131.0 156.7 100.5 0.5 71.7 314 321 B N H > S+ 0 0 101 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.698 106.7 66.1 -76.0 -18.1 97.2 0.6 69.9 315 322 B E H > S+ 0 0 133 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.843 93.9 60.6 -69.5 -31.4 95.4 0.3 73.2 316 323 B F H > S+ 0 0 30 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.903 105.1 48.1 -58.7 -43.2 96.8 3.7 74.0 317 324 B V H X S+ 0 0 7 -4,-0.8 4,-2.7 2,-0.2 5,-0.2 0.936 109.1 51.8 -62.9 -49.7 94.9 5.1 71.0 318 325 B E H X S+ 0 0 111 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.897 109.7 51.1 -55.4 -42.0 91.7 3.3 72.0 319 326 B I H X S+ 0 0 24 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.916 110.3 48.1 -64.0 -41.9 92.0 4.9 75.5 320 327 B V H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.911 110.4 51.4 -64.0 -43.7 92.5 8.3 74.0 321 328 B R H < S+ 0 0 70 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.764 117.3 40.9 -64.4 -25.7 89.5 7.9 71.7 322 329 B N H < S+ 0 0 88 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.642 82.0 112.7 -99.9 -18.2 87.4 6.9 74.7 323 330 B A < - 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0 0 88 2,-0.0 2,-0.2 5,-0.0 0, 0.0 0.727 360.0-112.7 85.3 111.2 112.2 -3.9 83.5 340 351 B V + 0 0 82 2,-0.0 2,-0.3 4,-0.0 5,-0.0 -0.481 38.2 176.9 -74.2 139.6 113.7 -1.1 81.5 341 352 B T > - 0 0 64 -2,-0.2 3,-2.9 46,-0.0 4,-0.3 -0.869 51.2 -89.3-134.9 169.6 115.1 -2.0 78.0 342 353 B C T 3 S+ 0 0 2 44,-0.6 3,-0.3 1,-0.3 45,-0.1 0.653 128.2 56.1 -56.2 -12.5 116.6 0.0 75.2 343 354 B W T 3 S+ 0 0 14 1,-0.2 -32,-2.0 -33,-0.1 -1,-0.3 0.242 82.3 85.2-103.5 12.4 113.0 0.5 74.0 344 355 B S S < S+ 0 0 52 -3,-2.9 -1,-0.2 -34,-0.2 -2,-0.1 0.524 100.2 18.3 -89.5 -6.6 111.6 2.0 77.2 345 356 B Q S S- 0 0 14 -3,-0.3 -1,-0.1 -4,-0.3 2,-0.1 -0.985 89.8 -88.4-157.0 160.1 112.7 5.5 76.2 346 357 B P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 20,-0.2 -0.433 40.3-158.9 -71.9 151.0 113.6 7.6 73.2 347 358 B L E -O 308 0D 0 -39,-1.7 -39,-1.9 18,-0.1 2,-0.6 -0.999 8.6-143.8-135.7 136.2 117.3 7.6 72.3 348 359 B F E -OP 307 364D 20 16,-1.5 16,-3.1 -2,-0.4 2,-0.5 -0.873 17.4-173.2-105.6 115.8 119.3 10.1 70.2 349 360 B F E -OP 306 363D 0 -43,-3.3 -43,-2.4 -2,-0.6 2,-0.7 -0.907 12.7-155.2-109.1 129.5 122.1 8.8 67.9 350 361 B V E -OP 305 362D 0 12,-3.2 12,-2.1 -2,-0.5 2,-1.4 -0.896 12.6-146.7-100.0 116.7 124.5 11.0 66.0 351 362 B N E >> - 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0 0 68 -2,-0.4 4,-2.3 -44,-0.1 3,-0.7 -0.436 33.8-104.2 -80.6 162.7 127.2 26.4 50.5 655 158 A N H 3> S+ 0 0 85 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.911 123.3 47.5 -52.2 -47.1 127.2 27.8 47.0 656 159 A D H 3> S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.723 108.3 54.6 -69.1 -22.5 124.0 25.9 46.2 657 160 A Q H <> S+ 0 0 13 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.880 109.0 49.4 -76.1 -35.7 122.3 27.0 49.4 658 161 A I H < S+ 0 0 0 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.780 115.1 44.7 -72.5 -25.2 123.1 30.6 48.5 659 162 A R H < S+ 0 0 40 -4,-1.3 4,-0.4 -5,-0.2 -2,-0.2 0.947 124.2 27.8 -82.9 -52.5 121.6 30.1 45.0 660 163 A Y H X S+ 0 0 10 -4,-2.1 4,-1.8 1,-0.2 3,-0.4 0.781 105.4 70.3 -83.7 -29.8 118.4 28.2 45.8 661 164 A L H X S+ 0 0 1 -4,-1.9 4,-2.5 -5,-0.3 5,-0.2 0.912 96.9 53.7 -57.5 -44.0 117.4 29.3 49.4 662 165 A P H > S+ 0 0 1 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.867 110.5 47.9 -59.9 -32.5 116.5 32.8 48.3 663 166 A Q H 4 S+ 0 0 21 -3,-0.4 151,-0.3 -4,-0.4 -2,-0.2 0.802 112.3 48.1 -77.3 -29.7 114.1 31.3 45.7 664 167 A L H >< S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.848 100.8 64.7 -78.2 -34.7 112.5 28.9 48.1 665 168 A C H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.774 87.4 76.0 -55.8 -27.4 112.0 31.6 50.8 666 169 A R G >< + 0 0 13 -4,-0.5 3,-2.3 1,-0.3 4,-0.5 0.448 59.9 94.0 -69.7 -0.8 109.6 33.2 48.3 667 170 A Y G X S+ 0 0 55 -3,-1.7 3,-1.2 1,-0.3 -1,-0.3 0.800 76.2 71.7 -61.4 -21.0 106.8 30.8 48.9 668 171 A L G X> S+ 0 0 12 -3,-1.5 3,-1.7 1,-0.3 4,-1.1 0.696 78.8 73.1 -65.7 -19.6 105.8 33.5 51.4 669 172 A E H <>>S+ 0 0 0 -3,-2.3 4,-2.9 1,-0.3 5,-0.9 0.833 91.9 57.6 -63.3 -32.0 104.8 35.7 48.5 670 173 A L H <45S+ 0 0 9 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.419 101.4 55.5 -79.6 2.4 101.8 33.5 48.1 671 174 A W H <45S+ 0 0 68 -3,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.721 121.5 26.9 -99.3 -30.4 100.7 34.2 51.6 672 175 A H H <5S- 0 0 12 -4,-1.1 119,-0.2 2,-0.2 -2,-0.2 0.683 98.8-127.4-102.0 -27.3 100.6 37.9 51.1 673 176 A G T <5S+ 0 0 0 -4,-2.9 117,-1.7 1,-0.3 198,-1.5 0.719 72.3 113.0 82.2 22.5 99.9 38.1 47.4 674 177 A L B > - 0 0 27 196,-0.8 3,-2.1 -2,-0.4 4,-1.8 -0.343 39.2-109.3 -65.0 147.3 106.3 40.0 45.1 676 179 A W T 34 S+ 0 0 18 1,-0.3 -37,-2.3 2,-0.2 -38,-0.7 0.717 117.7 54.6 -55.4 -23.2 109.2 40.1 47.5 677 180 A K T 34 S+ 0 0 124 -39,-0.2 -1,-0.3 1,-0.2 -2,-0.0 0.646 113.3 42.4 -85.6 -12.3 110.4 43.5 46.4 678 181 A L T <4 S+ 0 0 78 -3,-2.1 2,-0.3 193,-0.1 -2,-0.2 0.676 97.1 93.2-101.1 -23.8 107.0 45.0 47.1 679 182 A L S < S- 0 0 0 -4,-1.8 -41,-2.4 262,-0.2 -40,-0.2 -0.555 77.9-123.3 -79.0 127.7 106.4 43.2 50.4 680 183 A S B > -L 637 0L 2 260,-1.6 3,-0.6 -2,-0.3 4,-0.3 -0.515 14.4-144.3 -68.1 131.1 107.4 44.9 53.7 681 184 A A G >> S+ 0 0 2 -45,-3.1 3,-1.1 -2,-0.2 4,-0.8 0.835 95.4 65.1 -65.9 -33.0 109.8 42.6 55.5 682 185 A K G 34 S+ 0 0 106 -46,-0.4 -1,-0.2 1,-0.3 -54,-0.1 0.835 110.6 36.5 -59.1 -32.7 108.4 43.6 58.9 683 186 A D G <4 S+ 0 0 54 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 0.358 97.3 86.3-102.7 4.2 105.1 42.0 58.0 684 187 A T T <4 S+ 0 0 1 -3,-1.1 2,-0.2 -4,-0.3 -2,-0.1 0.975 85.5 46.9 -69.8 -57.1 106.4 39.0 56.0 685 188 A Y < + 0 0 43 -4,-0.8 2,-0.2 -65,-0.1 -65,-0.0 -0.520 64.0 139.0 -88.0 156.4 107.0 36.5 58.8 686 189 A F - 0 0 94 -2,-0.2 2,-0.1 2,-0.0 -3,-0.0 -0.782 47.9 -93.5 171.9 145.7 104.6 35.6 61.6 687 190 A G - 0 0 45 -2,-0.2 2,-0.5 1,-0.0 -2,-0.0 -0.355 26.7-143.0 -74.3 151.2 103.4 32.5 63.5 688 191 A H - 0 0 55 -2,-0.1 2,-2.0 -124,-0.0 -571,-0.1 -0.953 18.9-126.8-113.9 131.7 100.3 30.5 62.6 689 192 A Q S S- 0 0 43 -2,-0.5 -122,-2.3 2,-0.0 -121,-0.5 -0.505 71.7 -46.6 -79.3 76.1 98.2 29.1 65.4 690 193 A G S S- 0 0 10 -2,-2.0 -125,-0.5 -125,-0.2 -124,-0.1 -0.282 91.4 -28.3 94.4 179.3 98.1 25.5 64.3 691 194 A R - 0 0 18 -126,-0.1 -125,-1.6 -127,-0.1 2,-0.3 -0.153 60.5-112.5 -68.2 162.5 97.5 23.6 61.1 692 195 A N - 0 0 22 -127,-0.1 2,-0.5 -128,-0.1 -101,-0.5 -0.691 20.5-149.3 -96.3 150.9 95.3 24.8 58.2 693 196 A A E -C 563 0J 0 -130,-2.5 -130,-2.8 -2,-0.3 2,-0.4 -0.977 13.4-135.0-125.7 117.3 92.0 23.0 57.3 694 197 A F E -CD 562 588J 13 -106,-2.4 -106,-1.9 -2,-0.5 2,-0.3 -0.559 24.6-127.2 -70.4 119.6 90.9 23.1 53.6 695 198 A A E - D 0 587J 3 -134,-3.2 2,-1.3 -2,-0.4 3,-0.4 -0.517 6.1-146.3 -72.4 131.3 87.2 24.0 53.5 696 199 A L S S- 0 0 71 -110,-2.4 -1,-0.1 1,-0.3 -109,-0.1 -0.510 91.4 -8.1 -96.7 63.5 85.2 21.5 51.5 697 200 A N >> - 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