==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-JUN-03 1PJ5 . COMPND 2 MOLECULE: N,N-DIMETHYLGLYCINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER GLOBIFORMIS; . AUTHOR D.LEYS,J.BASRAN,N.S.SCRUTTON . 827 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 564 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.3 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 . 55 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 1 2 1 1 0 1 1 1 1 3 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 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 0 0 PARALLEL BRIDGES PER LADDER . 4 5 3 8 3 5 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 1 0 2 2 0 0 1 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 4 A T 0 0 87 0, 0.0 3,-0.1 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 164.1 23.4 58.6 30.0 2 5 A P - 0 0 41 0, 0.0 2,-0.6 0, 0.0 25,-0.3 -0.067 360.0-108.5 -55.4 150.8 21.8 60.6 33.0 3 6 A R - 0 0 127 23,-0.1 191,-3.1 25,-0.1 192,-2.0 -0.762 42.8-166.0 -81.2 120.5 18.1 61.3 33.2 4 7 A I E -ab 28 195A 3 23,-2.7 25,-2.2 -2,-0.6 2,-0.5 -0.887 16.8-166.2-115.0 137.4 17.6 65.0 32.5 5 8 A V E -ab 29 196A 1 190,-2.3 192,-2.4 -2,-0.4 2,-0.5 -0.997 8.4-163.2-117.5 127.9 14.6 67.3 33.1 6 9 A I E -ab 30 197A 0 23,-2.6 25,-2.6 -2,-0.5 2,-0.7 -0.954 10.2-147.1-106.2 129.5 14.6 70.7 31.4 7 10 A I E +ab 31 198A 11 190,-2.4 192,-2.6 -2,-0.5 25,-0.2 -0.880 68.3 33.4 -98.2 110.8 12.1 73.3 32.8 8 11 A G - 0 0 7 23,-3.2 24,-0.2 -2,-0.7 192,-0.1 0.265 55.9-145.9 115.6 124.5 11.0 75.5 30.0 9 12 A A + 0 0 1 4,-0.1 23,-0.1 21,-0.1 -1,-0.1 -0.236 60.4 121.0-110.8 44.9 10.4 75.0 26.2 10 13 A G S > S- 0 0 20 189,-0.5 4,-2.2 29,-0.1 5,-0.4 -0.130 89.0 -75.0 -83.1-169.6 11.5 78.5 25.2 11 14 A I H > S+ 0 0 4 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.833 133.1 49.0 -61.2 -30.5 14.3 79.1 22.8 12 15 A V H > S+ 0 0 16 2,-0.2 4,-2.3 187,-0.1 -1,-0.2 0.962 112.1 44.0 -72.3 -54.3 16.9 78.2 25.5 13 16 A G H > S+ 0 0 0 186,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.861 115.7 47.6 -64.1 -38.6 15.4 74.9 26.7 14 17 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.896 112.7 48.5 -73.4 -37.2 14.7 73.6 23.2 15 18 A N H X S+ 0 0 0 -4,-1.2 4,-2.7 -5,-0.4 -2,-0.2 0.892 111.1 51.6 -66.4 -35.7 18.1 74.5 22.0 16 19 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.916 109.1 49.4 -64.1 -46.1 19.6 72.8 25.1 17 20 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.924 113.3 48.0 -58.3 -41.3 17.7 69.7 24.4 18 21 A D H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.929 110.6 49.8 -64.6 -44.0 18.9 69.8 20.8 19 22 A E H X S+ 0 0 5 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.817 111.8 49.4 -67.0 -30.9 22.5 70.3 21.8 20 23 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 3,-0.9 0.921 109.2 51.8 -70.3 -43.7 22.4 67.4 24.3 21 24 A V H ><5S+ 0 0 27 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.903 105.1 54.9 -60.7 -44.0 20.9 65.1 21.7 22 25 A T H 3<5S+ 0 0 101 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.742 107.1 52.2 -61.4 -22.5 23.6 65.9 19.2 23 26 A R T <<5S- 0 0 81 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.156 127.3-101.1 -98.3 14.0 26.1 64.8 21.9 24 27 A G T < 5S+ 0 0 50 -3,-2.2 2,-0.7 1,-0.2 -3,-0.2 0.539 85.3 124.0 77.7 11.7 24.3 61.5 22.4 25 28 A W < + 0 0 41 -5,-2.3 -1,-0.2 1,-0.1 -2,-0.2 -0.897 18.5 147.9-100.7 107.5 22.3 62.4 25.5 26 29 A N + 0 0 59 -2,-0.7 2,-1.9 -3,-0.1 -1,-0.1 0.321 33.6 106.6-127.7 12.7 18.7 61.8 24.8 27 30 A N + 0 0 78 -25,-0.3 -23,-2.7 136,-0.1 2,-0.4 -0.456 58.3 135.2 -85.9 64.7 17.2 60.7 28.1 28 31 A I E -a 4 0A 3 -2,-1.9 136,-2.5 -25,-0.2 2,-0.4 -0.937 42.5-166.5-125.1 136.1 15.5 64.1 28.4 29 32 A T E -ac 5 164A 29 -25,-2.2 -23,-2.6 -2,-0.4 2,-0.5 -0.997 11.9-159.1-115.6 127.0 12.1 65.3 29.4 30 33 A V E -ac 6 165A 0 134,-3.1 136,-2.8 -2,-0.4 2,-0.4 -0.931 10.5-164.0-106.8 128.4 11.2 69.0 28.7 31 34 A L E +ac 7 166A 1 -25,-2.6 -23,-3.2 -2,-0.5 2,-0.3 -0.875 12.3 173.0-111.7 139.4 8.3 70.5 30.7 32 35 A D - 0 0 23 134,-2.1 137,-2.8 -2,-0.4 4,-0.1 -0.983 30.7-146.5-143.6 139.5 6.4 73.7 30.0 33 36 A Q S S+ 0 0 71 -2,-0.3 137,-0.2 135,-0.3 134,-0.1 0.679 86.7 69.5 -69.6 -22.5 3.3 75.1 31.8 34 37 A G S S- 0 0 6 135,-0.2 134,-2.3 1,-0.1 135,-0.3 -0.420 103.2 -80.8 -90.0 173.7 2.1 76.5 28.5 35 38 A P > - 0 0 13 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.498 37.4-125.4 -72.0 141.0 0.8 74.5 25.4 36 39 A L T 3 S+ 0 0 43 1,-0.3 119,-0.1 -2,-0.2 -2,-0.0 0.816 108.4 60.5 -58.3 -31.0 3.7 73.1 23.2 37 40 A N T 3 S+ 0 0 115 1,-0.3 -1,-0.3 2,-0.1 115,-0.1 0.680 131.0 3.0 -71.5 -15.6 2.4 74.8 20.1 38 41 A M < - 0 0 59 -3,-1.7 -1,-0.3 1,-0.0 -2,-0.1 -0.440 69.6-170.5-167.0 78.5 2.8 78.3 21.7 39 42 A P - 0 0 12 0, 0.0 -3,-0.1 0, 0.0 -29,-0.1 0.818 29.8-134.4 -54.5 -39.5 4.3 78.1 25.2 40 43 A G + 0 0 1 1,-0.2 256,-1.8 -6,-0.1 257,-0.2 0.537 60.1 118.6 102.0 2.9 3.7 81.8 26.1 41 44 A G S > S- 0 0 17 254,-0.1 3,-1.4 255,-0.1 -1,-0.2 -0.125 88.4 -70.2 -80.5-168.2 7.0 82.9 27.6 42 45 A S G >> S+ 0 0 30 1,-0.3 3,-2.0 2,-0.2 4,-1.2 0.821 129.9 65.2 -60.0 -31.6 9.2 85.7 26.1 43 46 A T G 34 S+ 0 0 21 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.862 93.7 62.5 -59.4 -31.9 10.2 83.6 23.1 44 47 A S G <4 S+ 0 0 22 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.534 114.5 31.3 -74.9 -4.3 6.5 83.7 22.0 45 48 A H T <4 S+ 0 0 25 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.482 85.6 120.4-124.9 -4.9 6.6 87.5 21.6 46 49 A A < - 0 0 36 -4,-1.2 101,-0.3 -3,-0.3 102,-0.2 -0.401 52.4-149.0 -67.5 136.1 10.2 88.4 20.5 47 50 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.636 37.8-128.4 -75.5 -17.4 10.6 90.2 17.2 48 51 A G + 0 0 5 1,-0.2 97,-3.2 96,-0.1 2,-0.3 0.732 40.0 170.0 86.4 25.5 14.0 88.5 16.8 49 52 A L E -G 144 0B 22 95,-0.2 2,-0.5 93,-0.0 311,-0.3 -0.580 14.7-164.3 -70.4 131.9 16.6 91.2 16.0 50 53 A V E +G 143 0B 0 93,-2.4 93,-1.6 -2,-0.3 2,-0.6 -0.933 14.5 174.4-122.9 105.1 20.1 89.7 16.2 51 54 A F - 0 0 11 -2,-0.5 12,-0.1 91,-0.2 -2,-0.0 -0.962 10.2-169.4-105.8 114.8 23.0 92.2 16.4 52 55 A Q + 0 0 8 -2,-0.6 11,-0.2 11,-0.1 12,-0.2 0.840 53.9 96.4 -74.3 -37.5 26.2 90.1 17.0 53 56 A T + 0 0 10 10,-0.1 -2,-0.1 2,-0.0 53,-0.1 -0.344 48.9 154.2 -63.4 133.2 28.8 92.8 17.8 54 57 A N - 0 0 39 48,-0.1 6,-0.1 2,-0.1 55,-0.1 -0.975 55.5-116.8-153.8 151.2 29.1 93.1 21.6 55 58 A P S S+ 0 0 58 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.773 97.6 81.8 -64.7 -22.7 31.9 94.2 24.0 56 59 A S > - 0 0 11 1,-0.2 4,-2.7 2,-0.0 5,-0.2 -0.760 68.7-155.0 -91.0 122.1 32.0 90.7 25.4 57 60 A K H > S+ 0 0 67 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.899 97.8 51.3 -53.5 -44.9 34.0 88.1 23.4 58 61 A T H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 111.0 45.6 -62.3 -47.8 31.8 85.3 24.8 59 62 A M H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.903 111.5 52.6 -66.0 -38.6 28.5 87.0 24.0 60 63 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.923 109.9 49.1 -59.5 -43.4 29.7 87.8 20.5 61 64 A S H X S+ 0 0 37 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.882 109.4 52.0 -64.2 -37.1 30.7 84.2 20.0 62 65 A F H X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.2 302,-0.5 0.874 111.5 48.0 -63.0 -40.1 27.2 83.0 21.3 63 66 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -11,-0.2 -2,-0.2 0.904 108.4 52.6 -70.5 -41.4 25.6 85.4 18.8 64 67 A K H X S+ 0 0 76 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.919 111.6 48.0 -60.4 -39.0 27.7 84.2 15.8 65 68 A Y H X S+ 0 0 51 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.905 108.7 53.3 -69.5 -38.3 26.7 80.6 16.7 66 69 A T H X S+ 0 0 0 -4,-2.1 4,-2.8 294,-0.3 5,-0.2 0.897 109.1 48.7 -60.8 -45.1 23.1 81.5 16.9 67 70 A V H X S+ 0 0 8 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.966 114.1 46.9 -59.1 -48.6 23.1 83.1 13.5 68 71 A E H X S+ 0 0 126 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.927 115.7 45.1 -58.6 -47.1 24.9 79.9 12.0 69 72 A K H X S+ 0 0 7 -4,-3.2 4,-0.9 1,-0.2 3,-0.4 0.929 112.1 49.5 -68.0 -45.4 22.5 77.6 13.8 70 73 A L H < S+ 0 0 2 -4,-2.8 10,-1.8 1,-0.2 3,-0.4 0.841 108.3 54.1 -63.1 -34.0 19.3 79.5 12.8 71 74 A L H < S+ 0 0 67 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.796 110.1 49.2 -65.3 -28.9 20.4 79.6 9.2 72 75 A S H < S+ 0 0 71 -4,-1.2 2,-0.8 -3,-0.4 -2,-0.2 0.611 90.2 89.9 -83.0 -19.2 20.8 75.8 9.3 73 76 A L < + 0 0 4 -4,-0.9 7,-1.2 -3,-0.4 2,-0.3 -0.737 62.3 150.5 -87.8 107.1 17.3 75.2 10.9 74 77 A T E +I 79 0C 79 -2,-0.8 2,-0.3 5,-0.2 5,-0.2 -0.949 29.3 176.3-145.2 153.3 15.0 74.8 8.0 75 78 A E E > S+I 78 0C 61 3,-1.4 3,-1.6 -2,-0.3 -2,-0.0 -0.929 78.7 9.3-154.2 139.5 11.8 73.1 6.7 76 79 A D T 3 S- 0 0 150 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.833 130.2 -62.7 59.4 33.6 10.1 73.5 3.3 77 80 A G T 3 S+ 0 0 76 1,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.601 114.3 112.0 66.6 15.5 13.1 75.4 2.1 78 81 A V E < -I 75 0C 85 -3,-1.6 -3,-1.4 2,-0.0 -1,-0.1 -0.967 51.9-156.1-121.0 117.1 12.6 78.3 4.6 79 82 A S E -I 74 0C 33 -2,-0.5 -5,-0.2 -5,-0.2 -8,-0.2 -0.166 27.7-111.7 -79.7 179.1 15.2 78.7 7.4 80 83 A C S S+ 0 0 0 -10,-1.8 66,-2.4 -7,-1.2 2,-0.4 0.160 95.8 68.8 -98.0 20.1 14.8 80.4 10.8 81 84 A F E -H 145 0B 8 -11,-0.3 2,-0.8 64,-0.2 64,-0.2 -0.973 58.7-162.8-141.0 127.4 17.1 83.3 10.0 82 85 A N E -H 144 0B 67 62,-2.8 62,-2.8 -2,-0.4 2,-2.1 -0.904 18.1-152.1-107.0 104.6 16.5 86.1 7.5 83 86 A Q + 0 0 88 -2,-0.8 60,-0.2 60,-0.2 59,-0.1 -0.423 40.9 144.7 -86.5 69.6 20.0 87.6 7.0 84 87 A V - 0 0 24 -2,-2.1 59,-0.2 1,-0.2 -1,-0.2 0.537 56.9-123.3 -79.5 -7.6 19.1 91.2 6.1 85 88 A G - 0 0 0 57,-2.3 162,-2.2 -3,-0.2 2,-0.3 -0.195 24.0 -99.5 81.0 177.0 22.2 92.6 7.9 86 89 A G E -Jk 139 247D 1 53,-1.8 53,-2.7 160,-0.3 2,-0.4 -0.990 24.9-163.4-139.6 143.4 22.1 95.2 10.7 87 90 A L E -Jk 138 248D 0 160,-2.7 162,-2.8 -2,-0.3 2,-0.5 -0.991 1.9-167.6-130.0 124.1 22.6 99.0 10.7 88 91 A E E -Jk 137 249D 7 49,-2.4 49,-2.2 -2,-0.4 2,-0.3 -0.944 17.9-156.6-105.8 124.2 23.3 101.1 13.9 89 92 A V E -J 136 0D 2 160,-2.4 2,-0.4 -2,-0.5 162,-0.4 -0.810 4.9-144.4-103.9 152.7 23.0 104.8 13.2 90 93 A A E +J 135 0D 0 45,-2.5 44,-3.1 -2,-0.3 45,-0.8 -0.939 20.4 173.0-113.1 126.1 24.6 107.7 15.1 91 94 A T S S+ 0 0 37 -2,-0.4 2,-0.3 42,-0.2 -1,-0.1 0.369 70.7 49.6-105.7 -0.1 22.8 111.1 15.6 92 95 A T S > S- 0 0 55 1,-0.1 4,-2.3 0, 0.0 5,-0.1 -0.945 83.0-119.0-130.7 157.6 25.4 112.6 17.9 93 96 A E H > S+ 0 0 167 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.848 114.9 57.7 -61.4 -34.7 29.2 112.9 17.9 94 97 A T H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 109.4 43.3 -60.2 -44.5 29.4 110.8 21.0 95 98 A R H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.885 109.3 57.8 -70.8 -37.5 27.6 107.9 19.3 96 99 A L H X S+ 0 0 51 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.938 108.5 46.3 -59.3 -44.0 29.6 108.3 16.1 97 100 A A H >X S+ 0 0 38 -4,-2.2 4,-1.6 1,-0.2 3,-0.8 0.930 109.1 55.0 -62.8 -43.2 32.8 107.8 18.1 98 101 A D H 3X S+ 0 0 8 -4,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.837 100.7 59.6 -62.5 -32.7 31.4 104.8 19.9 99 102 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.3 0.854 102.4 53.4 -63.1 -30.6 30.6 103.2 16.5 100 103 A K H S+ 0 0 1 -4,-2.5 5,-2.8 1,-0.2 4,-0.7 0.960 110.9 43.0 -56.3 -49.5 33.8 93.5 15.4 107 110 A A H ><5S+ 0 0 32 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.905 113.0 53.7 -62.3 -41.8 37.3 93.0 14.2 108 111 A A H 3<5S+ 0 0 20 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.904 115.7 37.7 -59.0 -41.1 38.5 91.6 17.6 109 112 A W H 3<5S- 0 0 19 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.341 117.6-105.4 -97.6 3.8 35.8 88.9 17.6 110 113 A G T <<5S+ 0 0 51 -4,-0.7 2,-0.5 -3,-0.7 -3,-0.2 0.842 70.7 138.7 79.3 33.9 35.8 88.1 13.9 111 114 A I < - 0 0 8 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.3 -0.954 51.0-127.6-107.7 129.3 32.6 89.7 12.7 112 115 A E + 0 0 159 -2,-0.5 29,-0.4 -5,-0.0 2,-0.3 -0.632 45.1 146.2 -78.6 131.1 32.7 91.6 9.4 113 116 A G - 0 0 18 -2,-0.4 2,-0.3 26,-0.2 26,-0.2 -0.970 28.6-152.8-157.3 165.8 31.4 95.2 9.5 114 117 A R E -L 138 0D 132 24,-2.2 24,-3.1 -2,-0.3 2,-0.4 -0.997 21.2-120.5-144.4 146.4 32.0 98.6 8.0 115 118 A L E -L 137 0D 57 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.763 34.3-153.7 -82.9 134.4 31.5 102.3 9.0 116 119 A L E -L 136 0D 15 20,-2.7 20,-2.0 -2,-0.4 -2,-0.0 -0.873 8.0-129.5-112.3 141.8 29.2 104.1 6.6 117 120 A S > - 0 0 48 -2,-0.4 4,-2.4 18,-0.2 5,-0.2 -0.300 38.8 -97.5 -72.7 167.1 29.0 107.8 5.8 118 121 A P H > S+ 0 0 56 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.912 127.4 50.7 -52.9 -42.9 25.7 109.6 5.9 119 122 A A H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.903 109.7 48.9 -62.0 -42.7 25.3 109.2 2.2 120 123 A E H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.850 108.7 53.8 -66.3 -34.0 26.0 105.4 2.4 121 124 A C H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.905 109.0 49.4 -63.7 -41.5 23.5 105.1 5.2 122 125 A Q H < S+ 0 0 72 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.861 110.1 50.3 -67.4 -35.5 20.9 106.8 2.9 123 126 A E H < S+ 0 0 162 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.906 116.7 41.5 -65.9 -43.3 21.8 104.4 0.0 124 127 A L H < S+ 0 0 49 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.817 130.4 24.8 -71.7 -35.6 21.4 101.4 2.3 125 128 A Y >< - 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0 0 64 -2,-0.4 22,-0.1 20,-0.2 20,-0.0 -0.968 28.0-121.0-128.8 151.3 34.1 99.1 53.3 430 433 A S > - 0 0 7 20,-0.4 3,-1.8 -2,-0.3 170,-0.1 -0.324 37.1-101.1 -77.8 168.5 37.5 98.2 54.7 431 434 A P T 3 S+ 0 0 33 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.632 120.5 61.7 -63.9 -10.9 38.6 99.1 58.3 432 435 A F T 3> + 0 0 0 1,-0.2 4,-2.4 2,-0.1 3,-0.3 0.329 69.8 111.0 -94.7 3.8 40.7 102.0 56.8 433 436 A H H <> S+ 0 0 37 -3,-1.8 4,-2.2 1,-0.3 5,-0.2 0.858 75.8 47.6 -53.6 -46.6 37.7 103.8 55.3 434 437 A A H > S+ 0 0 47 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.895 113.8 48.6 -64.3 -37.9 37.7 106.8 57.5 435 438 A R H > S+ 0 0 52 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.881 109.6 53.0 -66.0 -38.5 41.4 107.3 57.1 436 439 A H H <>S+ 0 0 1 -4,-2.4 5,-2.0 2,-0.2 -2,-0.2 0.906 108.3 49.6 -61.5 -42.6 41.0 107.0 53.3 437 440 A K H ><5S+ 0 0 128 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.905 105.7 56.9 -65.9 -38.0 38.3 109.7 53.3 438 441 A E H 3<5S+ 0 0 135 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.868 108.8 49.0 -55.3 -36.3 40.7 112.0 55.4 439 442 A L T 3<5S- 0 0 31 -4,-1.5 18,-2.4 -5,-0.1 19,-0.3 0.295 121.2-108.9 -89.7 7.7 43.2 111.6 52.5 440 443 A G T < 5 - 0 0 17 -3,-1.9 16,-2.5 16,-0.2 -3,-0.2 0.871 44.3-166.1 69.9 41.3 40.6 112.4 49.8 441 444 A A E < -X 455 0G 18 -5,-2.0 2,-0.7 14,-0.3 14,-0.2 -0.276 16.5-142.6 -59.0 141.2 40.2 109.0 48.3 442 445 A F E -X 454 0G 61 12,-2.6 11,-3.3 2,-0.0 12,-0.6 -0.949 29.4-155.3-100.8 109.3 38.5 108.7 44.9 443 446 A F E +X 452 0G 34 -2,-0.7 2,-0.3 9,-0.3 7,-0.1 -0.744 22.6 175.4 -98.3 136.0 36.4 105.5 45.2 444 447 A L E -X 451 0G 8 7,-2.4 7,-3.3 -2,-0.4 2,-0.4 -0.792 26.4-127.4-119.1 170.5 35.1 103.2 42.6 445 448 A E E +X 450 0G 39 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.935 28.0 167.0-127.8 144.3 33.3 99.9 43.4 446 449 A A E > S+X 449 0G 32 3,-1.9 3,-2.0 -2,-0.4 -2,-0.0 -0.959 76.7 0.4-151.9 136.5 33.6 96.2 42.6 447 450 A G T 3 S- 0 0 19 -2,-0.3 -54,-0.2 1,-0.3 -53,-0.1 0.722 129.6 -60.5 61.0 22.7 31.9 93.3 44.2 448 451 A G T 3 S+ 0 0 1 1,-0.3 -20,-2.0 -24,-0.1 -21,-0.4 0.185 110.2 124.0 89.5 -15.2 30.2 95.7 46.6 449 452 A W E < -wX 428 446G 12 -3,-2.0 -3,-1.9 -22,-0.2 2,-0.5 -0.636 61.0-132.1 -84.5 137.9 33.6 97.0 48.0 450 453 A E E - X 0 445G 6 -22,-2.2 -20,-0.4 -2,-0.3 -5,-0.2 -0.737 30.2-172.7 -83.0 122.4 34.6 100.7 47.9 451 454 A R E - X 0 444G 43 -7,-3.3 -7,-2.4 -2,-0.5 2,-0.2 -0.982 21.9-128.5-126.5 119.1 38.1 100.8 46.4 452 455 A P E - X 0 443G 10 0, 0.0 232,-2.5 0, 0.0 -9,-0.3 -0.485 17.0-172.7 -64.4 132.5 40.3 104.0 46.3 453 456 A Y E S- 0 0 25 -11,-3.3 232,-2.0 1,-0.5 233,-0.6 0.674 72.7 -22.0 -97.3 -22.1 41.7 104.5 42.8 454 457 A W E - X 0 442G 16 -12,-0.6 -12,-2.6 230,-0.1 -1,-0.5 -0.933 66.6-113.7-171.3 171.6 43.9 107.5 44.0 455 458 A F E > - X 0 441G 2 -2,-0.3 3,-1.9 -14,-0.2 -14,-0.3 -0.986 7.2-146.7-125.4 122.7 44.1 110.0 46.9 456 459 A E G > S+ 0 0 118 -16,-2.5 3,-2.1 -2,-0.5 4,-0.4 0.786 97.0 71.7 -56.5 -29.0 43.6 113.7 46.5 457 460 A A G > S+ 0 0 48 -18,-2.4 3,-1.1 1,-0.3 -1,-0.3 0.824 91.3 60.8 -51.1 -36.6 46.1 114.3 49.4 458 461 A N G X S+ 0 0 12 -3,-1.9 3,-1.7 -19,-0.3 4,-0.4 0.602 78.8 83.6 -75.0 -5.1 48.8 113.1 46.9 459 462 A A G X S+ 0 0 44 -3,-2.1 3,-1.6 1,-0.3 4,-0.5 0.855 81.0 67.0 -64.5 -29.5 48.1 116.0 44.5 460 463 A A G < S+ 0 0 70 -3,-1.1 3,-0.3 -4,-0.4 -1,-0.3 0.714 94.1 59.1 -63.9 -19.9 50.4 118.1 46.7 461 464 A L G X> S+ 0 0 31 -3,-1.7 3,-1.3 1,-0.2 4,-0.5 0.617 81.5 83.0 -79.3 -16.6 53.3 115.9 45.6 462 465 A L G X4 S+ 0 0 56 -3,-1.6 3,-1.2 -4,-0.4 -1,-0.2 0.873 83.6 59.8 -63.4 -35.5 53.1 116.6 41.9 463 466 A K G 34 S+ 0 0 192 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.708 111.2 39.9 -70.0 -14.5 55.0 119.8 42.2 464 467 A E G <4 S+ 0 0 122 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.366 88.1 117.5-105.9 2.2 58.1 118.1 43.5 465 468 A M S << S- 0 0 20 -3,-1.2 5,-0.1 -4,-0.5 23,-0.1 -0.553 73.9-107.9 -71.0 132.5 57.8 115.0 41.2 466 469 A P > - 0 0 45 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.288 27.6-117.4 -58.8 142.6 60.8 114.6 38.8 467 470 A A G > S+ 0 0 83 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.761 109.1 69.3 -55.2 -31.2 60.0 115.4 35.2 468 471 A E G 3 S+ 0 0 140 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.737 98.9 52.7 -60.9 -22.4 60.7 111.8 34.0 469 472 A W G < S+ 0 0 28 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.621 82.7 102.8 -87.8 -16.3 57.5 110.6 36.0 470 473 A L < - 0 0 115 -3,-1.1 -3,-0.0 -4,-0.5 -8,-0.0 -0.569 63.6-146.8 -73.6 117.4 55.1 113.2 34.4 471 474 A P - 0 0 27 0, 0.0 3,-0.1 0, 0.0 281,-0.1 -0.354 20.9-101.2 -79.0 162.6 52.9 111.5 31.8 472 475 A P - 0 0 60 0, 0.0 279,-0.0 0, 0.0 280,-0.0 -0.277 52.9 -72.4 -71.7 171.9 51.6 113.3 28.7 473 476 A A - 0 0 95 1,-0.1 2,-0.3 -2,-0.0 6,-0.0 -0.273 49.7-134.3 -59.9 147.3 48.0 114.6 28.4 474 477 A R - 0 0 75 -3,-0.1 279,-0.1 1,-0.1 -1,-0.1 -0.793 15.5-113.9-101.5 150.5 45.3 112.0 28.0 475 478 A D > - 0 0 72 -2,-0.3 4,-1.8 279,-0.1 5,-0.1 -0.226 41.0 -96.7 -69.7 168.9 42.4 112.1 25.5 476 479 A A H > S+ 0 0 91 2,-0.2 4,-0.6 1,-0.2 -1,-0.1 0.915 120.2 46.3 -58.1 -44.6 38.9 112.5 26.9 477 480 A W H >4 S+ 0 0 42 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.967 117.5 39.4 -69.0 -52.4 38.0 108.8 26.8 478 481 A S H 34 S+ 0 0 3 1,-0.3 -1,-0.2 276,-0.1 -2,-0.2 0.755 112.0 62.2 -68.1 -19.6 41.2 107.4 28.4 479 482 A G H >< S+ 0 0 28 -4,-1.8 3,-1.2 2,-0.1 -1,-0.3 0.604 78.7 107.2 -77.9 -14.8 41.1 110.4 30.8 480 483 A M T << S+ 0 0 67 -3,-1.3 3,-0.1 -4,-0.6 -62,-0.1 -0.475 94.2 2.5 -67.4 134.3 37.8 109.3 32.3 481 484 A F T 3 S+ 0 0 45 1,-0.2 2,-0.3 -2,-0.2 -1,-0.3 0.871 114.8 109.1 55.9 40.5 38.2 107.9 35.8 482 485 A S < - 0 0 29 -3,-1.2 -1,-0.2 203,-0.0 -28,-0.1 -0.938 46.4-170.5-140.0 153.3 41.9 108.7 35.6 483 486 A S > - 0 0 16 -2,-0.3 3,-1.6 -30,-0.1 4,-0.3 -0.987 35.2-128.3-144.6 148.4 44.1 111.2 37.3 484 487 A P T >> S+ 0 0 80 0, 0.0 3,-1.3 0, 0.0 4,-0.9 0.705 103.8 79.7 -60.3 -17.2 47.7 112.5 37.0 485 488 A I H 3> S+ 0 0 15 1,-0.3 4,-1.8 2,-0.2 3,-0.4 0.848 78.7 68.2 -60.2 -30.7 47.8 111.8 40.8 486 489 A A H <> S+ 0 0 0 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.837 93.3 57.8 -61.0 -31.6 48.4 108.2 39.9 487 490 A A H <> S+ 0 0 0 -3,-1.3 4,-2.7 -4,-0.3 -1,-0.2 0.910 106.0 48.8 -64.2 -41.1 51.8 109.0 38.5 488 491 A A H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.4 -1,-0.2 0.845 109.7 51.3 -65.0 -37.0 52.8 110.5 41.8 489 492 A E H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.884 112.0 47.0 -69.9 -34.8 51.6 107.4 43.6 490 493 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.938 110.5 53.4 -68.3 -43.7 53.6 105.2 41.3 491 494 A W H X S+ 0 0 21 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.927 111.7 44.3 -55.4 -49.4 56.7 107.5 41.8 492 495 A K H X S+ 0 0 31 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.830 110.4 54.5 -71.8 -31.7 56.5 107.1 45.6 493 496 A T H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.902 113.5 43.3 -63.5 -38.9 55.9 103.3 45.4 494 497 A R H < S+ 0 0 5 -4,-2.2 -2,-0.2 112,-0.2 -1,-0.2 0.713 130.2 24.2 -77.1 -24.1 59.1 103.0 43.3 495 498 A T H < S+ 0 0 64 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.540 131.2 7.5-121.8 -12.9 61.2 105.4 45.4 496 499 A A S < S- 0 0 5 -4,-2.6 112,-2.4 -5,-0.2 113,-0.3 0.060 96.7 -64.5-136.5-113.6 59.8 105.6 49.0 497 500 A V - 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