==== 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 19-APR-03 1P3Y . COMPND 2 MOLECULE: MRSD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR M.BLAESSE,T.KUPKE,R.HUBER,S.STEINBACHER . 171 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 11 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 2 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 3 1 I > 0 0 88 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -37.6 1.5 52.4 70.3 2 4 1 S T 3 + 0 0 97 1,-0.3 3,-0.2 2,-0.2 4,-0.2 0.542 360.0 77.7 -71.9 -5.9 2.1 56.1 71.1 3 5 1 I T > S+ 0 0 68 1,-0.2 3,-0.9 2,-0.1 -1,-0.3 0.787 86.6 58.8 -72.5 -27.6 4.4 54.8 73.9 4 6 1 L G X S+ 0 0 0 -3,-1.3 3,-3.1 1,-0.2 30,-0.9 0.790 78.7 87.1 -72.6 -29.2 7.1 54.1 71.4 5 7 1 K G 3 S+ 0 0 130 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.679 96.7 42.6 -45.7 -19.7 7.3 57.7 70.1 6 8 1 D G < S+ 0 0 76 -3,-0.9 2,-0.3 -4,-0.2 -1,-0.3 -0.011 97.6 97.2-120.3 30.2 9.8 58.2 73.0 7 9 1 K < - 0 0 54 -3,-3.1 27,-1.4 25,-0.2 28,-1.2 -0.883 69.7-122.9-120.5 150.4 11.9 55.0 72.7 8 10 1 K E -a 35 0A 65 -2,-0.3 73,-2.5 26,-0.2 74,-2.3 -0.816 27.6-158.3 -94.0 122.3 15.2 54.3 71.0 9 11 1 L E -ab 36 82A 1 26,-3.0 28,-2.7 -2,-0.6 2,-0.5 -0.887 8.1-167.5-108.5 128.4 15.1 51.5 68.4 10 12 1 L E -ab 37 83A 0 72,-2.9 74,-2.8 -2,-0.5 2,-0.6 -0.954 6.3-162.8-112.9 124.4 18.0 49.5 67.2 11 13 1 I E -ab 38 84A 1 26,-2.7 28,-2.3 -2,-0.5 2,-0.6 -0.937 3.9-156.5-111.3 120.9 17.6 47.4 64.1 12 14 1 G E -ab 39 85A 0 72,-2.1 74,-1.3 -2,-0.6 2,-0.5 -0.854 10.5-157.3 -95.8 122.3 20.1 44.6 63.4 13 15 1 I E -a 40 0A 0 26,-2.5 28,-1.7 -2,-0.6 31,-0.2 -0.870 10.5-170.2-104.0 129.6 20.3 43.6 59.7 14 16 1 C - 0 0 0 73,-1.5 2,-1.0 -2,-0.5 5,-0.1 -0.573 40.3 -66.5-110.3 176.3 21.6 40.2 58.7 15 17 1 G S S+ 0 0 21 -2,-0.2 2,-0.3 3,-0.1 29,-0.1 -0.460 78.1 120.3 -69.8 99.6 22.5 38.6 55.4 16 18 1 S > - 0 0 15 -2,-1.0 3,-1.9 1,-0.1 4,-0.4 -0.987 68.4-122.0-155.7 147.3 19.4 38.1 53.3 17 19 1 I G > S+ 0 0 132 -2,-0.3 3,-1.8 1,-0.3 4,-0.3 0.875 112.9 65.0 -57.6 -34.2 18.1 39.3 49.9 18 20 1 S G > S+ 0 0 39 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.636 83.5 75.7 -64.9 -12.2 15.2 40.9 51.8 19 21 1 S G X S+ 0 0 0 -3,-1.9 3,-2.0 1,-0.2 -1,-0.3 0.788 80.2 71.1 -68.7 -25.8 17.7 43.2 53.5 20 22 1 V G < S+ 0 0 75 -3,-1.8 3,-0.4 -4,-0.4 -1,-0.2 0.839 99.5 47.3 -60.9 -29.2 17.8 45.1 50.3 21 23 1 G G X S+ 0 0 31 -3,-0.9 3,-2.2 -4,-0.3 4,-0.5 0.343 73.8 117.9 -93.4 9.1 14.3 46.3 51.0 22 24 1 I T <> + 0 0 3 -3,-2.0 4,-2.7 1,-0.3 3,-0.5 0.687 59.7 75.3 -49.9 -20.9 14.9 47.3 54.6 23 25 1 S H 3> S+ 0 0 30 -3,-0.4 4,-3.5 1,-0.2 5,-0.4 0.840 85.9 63.8 -62.5 -31.6 14.1 51.0 53.8 24 26 1 S H <> S+ 0 0 67 -3,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.906 111.9 34.8 -57.1 -43.9 10.3 50.0 53.7 25 27 1 Y H > S+ 0 0 26 -4,-0.5 4,-2.5 -3,-0.5 5,-0.2 0.945 118.4 52.6 -75.2 -48.9 10.5 49.1 57.4 26 28 1 L H X S+ 0 0 1 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.878 112.7 42.8 -54.2 -46.6 13.0 51.8 58.3 27 29 1 L H < S+ 0 0 91 -4,-3.5 4,-0.4 1,-0.2 -1,-0.2 0.848 113.9 52.2 -71.8 -33.7 11.0 54.6 56.8 28 30 1 Y H >< S+ 0 0 87 -4,-1.1 3,-0.6 -5,-0.4 4,-0.2 0.873 110.3 47.9 -69.5 -37.4 7.7 53.3 58.2 29 31 1 F H >X S+ 0 0 2 -4,-2.5 4,-1.2 1,-0.2 3,-1.1 0.636 90.0 86.2 -77.1 -17.1 9.1 53.1 61.7 30 32 1 K T 3< S+ 0 0 115 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.805 89.8 46.5 -54.3 -36.6 10.6 56.6 61.6 31 33 1 S T <4 S+ 0 0 97 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.605 110.8 52.0 -84.8 -11.8 7.3 58.3 62.7 32 34 1 F T <4 S+ 0 0 52 -3,-1.1 2,-0.3 -4,-0.2 -25,-0.2 0.647 103.8 57.7 -98.9 -18.4 6.6 55.9 65.6 33 35 1 F S < S- 0 0 11 -4,-1.2 -28,-0.3 -28,-0.1 3,-0.2 -0.823 74.6-127.5-117.2 158.3 10.0 56.0 67.5 34 36 1 K S S- 0 0 135 -27,-1.4 2,-0.3 -30,-0.9 -26,-0.2 0.890 93.6 -12.2 -64.0 -42.2 12.1 58.7 69.0 35 37 1 E E -a 8 0A 46 -28,-1.2 -26,-3.0 2,-0.0 2,-0.4 -0.965 61.5-153.1-162.1 143.7 15.2 57.6 67.1 36 38 1 I E +a 9 0A 8 -2,-0.3 22,-2.7 -28,-0.2 23,-0.5 -0.985 15.5 173.8-127.8 127.3 16.2 54.6 65.0 37 39 1 R E -ac 10 59A 51 -28,-2.7 -26,-2.7 -2,-0.4 2,-0.3 -0.846 17.6-138.2-125.1 164.4 19.7 53.3 64.4 38 40 1 V E -ac 11 60A 0 21,-3.1 23,-4.2 -2,-0.3 2,-0.4 -0.929 10.9-168.5-128.0 149.3 21.1 50.2 62.6 39 41 1 V E -ac 12 61A 0 -28,-2.3 -26,-2.5 -2,-0.3 2,-0.3 -0.998 22.3-164.8-131.4 127.0 23.8 47.6 63.2 40 42 1 M E -a 13 0A 0 21,-2.2 2,-0.2 -2,-0.4 64,-0.2 -0.768 16.8-129.8-116.8 160.3 24.7 45.3 60.3 41 43 1 T > - 0 0 8 -28,-1.7 4,-2.1 -2,-0.3 5,-0.2 -0.661 37.5-104.5 -98.5 163.2 26.5 42.0 59.7 42 44 1 K H > S+ 0 0 99 -2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.887 120.2 50.9 -53.7 -47.6 29.2 41.7 57.0 43 45 1 T H > S+ 0 0 79 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.904 107.5 53.6 -61.8 -40.8 26.9 39.8 54.6 44 46 1 A H > S+ 0 0 0 -31,-0.2 4,-2.8 1,-0.2 3,-0.4 0.930 108.3 50.6 -58.9 -44.7 24.2 42.4 55.0 45 47 1 E H < S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.833 105.1 55.6 -63.3 -34.5 26.7 45.1 54.0 46 48 1 D H < S+ 0 0 109 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.809 113.3 43.1 -66.9 -30.1 27.8 43.2 50.9 47 49 1 L H < S+ 0 0 70 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.918 135.1 9.7 -79.0 -47.6 24.2 43.1 49.8 48 50 1 I S < S- 0 0 13 -4,-2.8 -1,-0.3 -5,-0.1 5,-0.1 -0.946 88.3-118.6-139.8 112.4 23.3 46.7 50.7 49 51 1 P >> - 0 0 67 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.092 16.9-124.8 -48.5 140.7 26.1 49.2 51.7 50 52 1 A H 3> S+ 0 0 16 1,-0.3 4,-1.4 2,-0.2 -12,-0.0 0.875 113.1 57.7 -55.8 -37.9 26.0 50.7 55.2 51 53 1 H H 34 S+ 0 0 150 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.838 105.6 50.3 -63.8 -30.9 26.1 54.2 53.5 52 54 1 T H X4 S+ 0 0 49 -3,-0.7 3,-2.4 1,-0.2 4,-0.3 0.982 109.3 49.2 -69.8 -53.2 23.0 53.3 51.6 53 55 1 V H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.748 99.3 70.1 -57.3 -21.0 21.1 52.2 54.7 54 56 1 S G >< S+ 0 0 44 -4,-1.4 3,-0.7 1,-0.3 -1,-0.3 0.672 85.4 66.7 -73.7 -13.6 22.2 55.5 56.3 55 57 1 Y G < S+ 0 0 177 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.592 104.7 45.4 -78.8 -8.2 19.9 57.4 54.1 56 58 1 F G < S+ 0 0 55 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.2 0.185 117.9 25.5-119.9 16.0 16.9 55.7 55.9 57 59 1 C S < S- 0 0 14 -3,-0.7 -20,-0.2 1,-0.1 3,-0.1 -0.949 83.2 -95.9-163.2 178.8 17.9 56.0 59.5 58 60 1 D S S- 0 0 81 -22,-2.7 2,-0.3 -2,-0.3 -21,-0.2 0.775 95.8 -8.7 -80.5 -29.0 19.9 58.0 62.0 59 61 1 H E -c 37 0A 62 -23,-0.5 -21,-3.1 -6,-0.1 2,-0.5 -0.941 54.6-144.7-168.3 147.3 23.1 56.0 62.2 60 62 1 V E -c 38 0A 17 -2,-0.3 2,-0.7 -23,-0.2 -21,-0.2 -0.968 10.4-153.3-122.9 118.9 24.5 52.7 61.0 61 63 1 Y E -c 39 0A 25 -23,-4.2 -21,-2.2 -2,-0.5 2,-0.2 -0.803 18.0-156.3 -92.9 119.9 27.0 50.7 63.0 62 64 1 S > - 0 0 12 -2,-0.7 3,-1.6 3,-0.3 9,-0.5 -0.633 25.3-128.2 -96.4 153.4 29.2 48.5 60.9 63 65 1 E T 3 S+ 0 0 51 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.805 112.9 61.2 -64.1 -29.9 31.0 45.3 61.8 64 66 1 H T 3 S- 0 0 92 1,-0.3 4,-0.4 6,-0.1 -1,-0.3 0.372 107.2-135.5 -78.1 1.8 34.1 47.0 60.4 65 67 1 G < - 0 0 9 -3,-1.6 -3,-0.3 3,-0.1 -1,-0.3 -0.383 26.6 -78.1 75.4-156.3 33.8 49.8 63.0 66 68 1 E S S+ 0 0 125 3,-1.7 4,-0.1 -3,-0.1 -1,-0.0 0.760 112.5 0.2-108.2 -77.1 34.1 53.4 62.0 67 69 1 N S S- 0 0 147 2,-0.2 -2,-0.1 3,-0.0 3,-0.1 -0.242 130.8 -61.0-109.5 42.4 37.7 54.6 61.5 68 70 1 G S S+ 0 0 50 -4,-0.4 2,-0.6 1,-0.3 -3,-0.1 0.406 111.3 117.1 95.0 -1.0 39.1 51.2 62.3 69 71 1 K - 0 0 171 -5,-0.0 -3,-1.7 0, 0.0 -1,-0.3 -0.902 68.3-123.2-104.7 123.4 37.6 51.2 65.8 70 72 1 R - 0 0 148 -2,-0.6 -7,-0.1 -5,-0.2 -6,-0.1 -0.375 30.7-113.2 -62.0 135.9 35.0 48.5 66.5 71 73 1 H - 0 0 35 -9,-0.5 2,-0.5 1,-0.1 -1,-0.1 -0.304 36.5-100.6 -66.6 154.8 31.7 50.0 67.7 72 74 1 S > - 0 0 43 1,-0.2 4,-2.7 2,-0.1 5,-0.3 -0.719 23.8-164.8 -87.8 123.7 30.7 49.2 71.3 73 75 1 H H > S+ 0 0 72 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.858 95.1 49.1 -69.1 -37.5 28.2 46.4 71.9 74 76 1 V H > S+ 0 0 47 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.871 113.1 48.4 -70.6 -36.1 27.6 47.6 75.4 75 77 1 E H > S+ 0 0 126 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.942 119.7 35.7 -69.5 -48.6 27.1 51.2 74.2 76 78 1 I H X S+ 0 0 2 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.869 117.2 54.8 -74.6 -32.6 24.7 50.3 71.4 77 79 1 G H < S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.908 116.8 36.3 -63.7 -41.9 23.1 47.6 73.5 78 80 1 R H < S+ 0 0 176 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.857 110.5 62.6 -78.6 -36.4 22.4 50.1 76.3 79 81 1 W H < S+ 0 0 36 -4,-2.6 2,-0.2 -5,-0.2 -2,-0.2 0.873 95.3 72.7 -53.4 -44.3 21.7 53.0 74.0 80 82 1 A < - 0 0 1 -4,-1.7 -71,-0.2 1,-0.1 3,-0.1 -0.505 57.4-167.6 -80.7 143.2 18.7 51.1 72.6 81 83 1 D S S+ 0 0 47 -73,-2.5 2,-0.4 1,-0.3 -72,-0.2 0.742 86.7 30.4 -93.0 -35.6 15.4 50.6 74.5 82 84 1 I E -b 9 0A 13 -74,-2.3 -72,-2.9 2,-0.0 2,-0.6 -0.993 68.5-164.8-129.0 130.8 14.3 48.1 71.9 83 85 1 Y E +b 10 0A 1 32,-0.5 34,-1.9 -2,-0.4 2,-0.5 -0.953 13.5 175.2-118.1 114.8 16.5 45.8 69.9 84 86 1 C E -bd 11 117A 2 -74,-2.8 -72,-2.1 -2,-0.6 2,-0.7 -0.973 19.0-152.1-123.8 126.2 14.9 44.1 66.9 85 87 1 I E -bd 12 118A 0 32,-2.2 34,-2.5 -2,-0.5 3,-0.3 -0.865 19.4-166.3-101.0 109.6 16.8 41.9 64.4 86 88 1 I E S+ 0 0 1 -74,-1.3 2,-0.1 -2,-0.7 -2,-0.1 -0.941 73.3 20.0-145.7 119.7 15.2 42.0 61.0 87 89 1 P E S- 0 0 1 0, 0.0 -73,-1.5 0, 0.0 2,-0.4 0.571 83.8-167.9 -87.1 155.6 15.9 40.1 58.9 88 90 1 A E - d 0 120A 0 31,-1.7 33,-1.9 -3,-0.3 2,-0.2 -0.867 10.3-143.4-104.5 133.5 17.4 37.4 61.1 89 91 1 T > - 0 0 25 -2,-0.4 4,-2.5 31,-0.2 5,-0.2 -0.482 27.0-111.7 -91.2 165.6 19.4 34.5 59.5 90 92 1 A H > S+ 0 0 21 1,-0.2 4,-3.3 31,-0.2 5,-0.2 0.950 122.0 56.0 -58.9 -42.6 19.5 30.9 60.6 91 93 1 N H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.939 106.4 45.6 -53.5 -56.3 23.1 31.7 61.6 92 94 1 I H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.899 113.7 51.1 -57.5 -39.9 22.2 34.6 63.9 93 95 1 L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.943 112.3 46.9 -61.6 -46.7 19.4 32.4 65.4 94 96 1 G H X S+ 0 0 16 -4,-3.3 4,-1.0 -5,-0.2 -2,-0.2 0.856 114.6 46.7 -64.2 -34.8 21.9 29.6 66.0 95 97 1 Q H <>S+ 0 0 20 -4,-2.7 5,-2.9 -5,-0.2 4,-0.4 0.964 116.7 41.3 -73.0 -48.5 24.5 32.0 67.4 96 98 1 T H ><5S+ 0 0 12 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.898 110.3 57.4 -67.6 -39.6 22.2 33.8 69.8 97 99 1 A H 3<5S+ 0 0 7 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.830 115.9 37.9 -59.6 -30.7 20.3 30.6 70.9 98 100 1 N T 3<5S- 0 0 108 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.321 113.8-107.5-107.7 9.7 23.7 29.2 72.0 99 101 1 G T < 5S+ 0 0 50 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.2 0.763 72.0 138.7 73.9 24.4 25.5 32.2 73.5 100 102 1 V < - 0 0 70 -5,-2.9 -1,-0.3 -6,-0.2 2,-0.2 -0.825 28.0-177.9-100.6 140.4 27.9 32.5 70.6 101 103 1 A + 0 0 37 -2,-0.4 -9,-0.0 -3,-0.1 -5,-0.0 -0.668 20.1 152.3-144.7 88.5 28.7 36.0 69.4 102 104 1 M S S+ 0 0 159 -2,-0.2 2,-0.3 5,-0.0 -1,-0.1 0.377 70.7 36.6 -94.6 -1.0 31.1 36.2 66.4 103 105 1 N S > S- 0 0 24 1,-0.1 4,-2.1 -62,-0.0 5,-0.2 -0.937 90.9-101.9-144.3 167.8 29.8 39.5 65.1 104 106 1 L H > S+ 0 0 13 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.873 116.1 59.2 -61.0 -38.3 28.4 42.7 66.5 105 107 1 V H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.933 112.0 39.0 -56.9 -48.8 24.7 41.8 65.9 106 108 1 A H > S+ 0 0 2 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.833 115.5 53.0 -70.4 -34.1 25.0 38.6 68.0 107 109 1 T H X S+ 0 0 33 -4,-2.1 4,-1.7 1,-0.2 3,-0.5 0.912 103.1 57.2 -68.4 -42.3 27.1 40.3 70.6 108 110 1 T H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.857 97.1 63.4 -58.3 -34.4 24.7 43.2 71.0 109 111 1 V H < S+ 0 0 9 -4,-1.1 3,-0.5 1,-0.2 -1,-0.2 0.935 107.5 42.7 -57.0 -44.7 22.0 40.6 71.9 110 112 1 L H < S+ 0 0 120 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.815 116.1 48.9 -71.0 -29.4 24.0 39.7 75.0 111 113 1 A H < S+ 0 0 22 -4,-1.7 -1,-0.2 -38,-0.0 -2,-0.2 0.561 87.1 97.3 -89.2 -8.3 24.8 43.3 75.8 112 114 1 H S < S- 0 0 9 -4,-1.6 -34,-0.2 -3,-0.5 -35,-0.1 -0.688 72.0-138.8 -82.0 128.8 21.2 44.6 75.5 113 115 1 P S S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.842 84.0 49.0 -54.4 -38.2 19.5 44.9 79.0 114 116 1 H S S- 0 0 108 1,-0.2 -2,-0.1 -33,-0.1 2,-0.1 -0.347 99.8 -82.9 -97.9 179.0 16.2 43.6 77.6 115 117 1 N - 0 0 93 28,-0.1 -32,-0.5 -2,-0.1 2,-0.4 -0.376 44.9-120.6 -77.1 162.3 15.2 40.6 75.5 116 118 1 T - 0 0 2 -34,-0.1 29,-1.5 -2,-0.1 2,-0.6 -0.857 10.4-139.3-110.0 140.9 15.5 40.8 71.7 117 119 1 I E -de 84 145A 11 -34,-1.9 -32,-2.2 -2,-0.4 2,-0.4 -0.871 22.1-157.0 -99.9 126.3 12.7 40.4 69.1 118 120 1 F E -de 85 146A 0 27,-3.4 29,-2.3 -2,-0.6 -32,-0.2 -0.817 16.7-164.9-105.0 141.8 13.8 38.4 66.0 119 121 1 F E - 0 0 2 -34,-2.5 -31,-1.7 -2,-0.4 29,-0.1 -0.704 24.1-156.4-121.6 77.3 12.2 38.4 62.6 120 122 1 P E +d 88 0A 0 0, 0.0 2,-0.3 0, 0.0 -31,-0.2 -0.095 16.9 174.7 -54.1 152.1 13.6 35.3 60.9 121 123 1 N + 0 0 24 -33,-1.9 2,-0.3 28,-0.1 -31,-0.2 -0.885 17.7 125.4-162.1 122.4 13.8 35.0 57.1 122 124 1 M - 0 0 23 -2,-0.3 2,-0.1 -33,-0.1 -106,-0.0 -0.971 60.5 -57.1-167.3 175.9 15.4 32.1 55.2 123 125 1 N > - 0 0 91 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.365 48.8-120.6 -65.5 143.2 14.9 29.5 52.5 124 126 1 D H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.840 114.5 56.5 -55.9 -36.6 12.1 27.1 53.1 125 127 1 L H 4 S+ 0 0 129 1,-0.2 4,-0.2 2,-0.2 3,-0.2 0.951 111.6 43.5 -60.2 -45.8 14.4 24.2 53.1 126 128 1 M H >4 S+ 0 0 88 1,-0.2 3,-1.4 2,-0.2 6,-0.3 0.887 109.2 57.5 -65.2 -40.3 16.4 25.9 55.8 127 129 1 W H 3< S+ 0 0 26 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 104.3 52.1 -62.5 -30.4 13.3 26.8 57.7 128 130 1 N T 3< S+ 0 0 113 -4,-1.8 -1,-0.3 -3,-0.2 2,-0.2 0.449 82.2 118.4 -88.4 2.7 12.2 23.2 58.0 129 131 1 K <> - 0 0 122 -3,-1.4 4,-1.7 -4,-0.2 3,-0.4 -0.481 69.4-129.2 -72.4 136.4 15.4 22.0 59.4 130 132 1 T H > S+ 0 0 106 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.897 104.6 54.7 -47.8 -53.1 15.2 20.5 62.9 131 133 1 V H > S+ 0 0 70 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.867 104.3 53.7 -53.0 -44.0 18.0 22.7 64.4 132 134 1 V H > S+ 0 0 14 -3,-0.4 4,-3.4 -6,-0.3 -1,-0.2 0.969 111.0 45.4 -57.9 -53.0 16.4 25.9 63.3 133 135 1 S H X S+ 0 0 70 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.917 114.4 49.1 -55.7 -45.4 13.1 25.0 65.1 134 136 1 R H X S+ 0 0 142 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.918 112.4 48.6 -61.3 -41.2 15.1 23.8 68.1 135 137 1 N H X S+ 0 0 17 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.931 110.6 49.9 -64.8 -46.3 17.1 27.1 68.1 136 138 1 I H X S+ 0 0 5 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.931 112.6 47.9 -56.2 -48.5 13.9 29.2 67.8 137 139 1 E H X S+ 0 0 113 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.959 109.5 52.3 -57.1 -52.4 12.3 27.3 70.7 138 140 1 Q H X S+ 0 0 58 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.836 107.8 52.2 -53.2 -41.1 15.5 27.7 72.8 139 141 1 L H X>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 4,-0.5 0.903 111.3 46.9 -62.7 -43.5 15.4 31.5 72.2 140 142 1 R H ><5S+ 0 0 88 -4,-2.1 3,-2.2 -3,-0.3 -2,-0.2 0.965 110.2 51.4 -63.0 -52.2 11.8 31.7 73.3 141 143 1 K H 3<5S+ 0 0 148 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.869 109.3 53.6 -51.9 -36.3 12.5 29.6 76.4 142 144 1 D H 3<5S- 0 0 77 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.622 128.0-100.1 -75.0 -14.1 15.4 32.1 77.0 143 145 1 G T <<5S+ 0 0 30 -3,-2.2 -3,-0.2 -4,-0.5 -2,-0.1 0.307 79.2 128.5 114.8 -9.4 12.9 35.0 76.8 144 146 1 H < - 0 0 27 -5,-2.6 -1,-0.4 -6,-0.2 2,-0.4 -0.459 54.1-125.9 -81.0 156.3 13.4 36.3 73.3 145 147 1 I E -e 117 0A 61 -29,-1.5 -27,-3.4 -2,-0.1 2,-0.4 -0.822 17.9-164.1-101.5 140.4 10.5 36.9 70.9 146 148 1 V E -e 118 0A 4 -2,-0.4 2,-0.5 -29,-0.2 -27,-0.2 -0.814 7.3-154.8-130.2 92.7 10.6 35.3 67.4 147 149 1 I - 0 0 35 -29,-2.3 11,-0.1 -2,-0.4 -2,-0.0 -0.508 25.4-132.1 -66.5 116.3 8.1 36.7 64.9 148 150 1 E - 0 0 85 -2,-0.5 10,-0.2 -29,-0.1 2,-0.1 -0.289 17.9-114.3 -69.2 152.9 7.5 33.9 62.5 149 151 1 P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 8,-0.2 -0.510 28.1-127.6 -84.4 162.0 7.7 34.5 58.7 150 152 1 V B -F 156 0B 60 6,-2.7 6,-2.5 -2,-0.1 2,-0.1 -0.853 16.7-113.5-113.0 147.4 4.6 34.2 56.5 151 153 1 E + 0 0 144 -2,-0.3 2,-0.3 4,-0.3 -1,-0.0 -0.475 44.6 172.7 -74.4 146.7 4.1 32.3 53.3 152 154 1 I 0 0 115 -2,-0.1 -1,-0.0 1,-0.1 0, 0.0 -0.930 360.0 360.0-150.1 172.7 3.6 34.4 50.2 153 155 1 M 0 0 234 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.233 360.0 360.0 -97.8 360.0 3.2 34.5 46.4 154 ! 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 0.0 155 168 1 R 0 0 74 0, 0.0 -4,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 153.9 8.1 32.5 53.0 156 169 1 G B -F 150 0B 11 -6,-2.5 -6,-2.7 -35,-0.1 2,-0.2 -0.905 360.0 -66.1-159.1-176.2 8.8 36.2 54.0 157 170 1 L - 0 0 29 -2,-0.3 2,-0.2 -8,-0.2 -36,-0.1 -0.563 52.3-106.6 -84.3 149.1 8.6 39.0 56.5 158 171 1 I - 0 0 23 -10,-0.2 5,-0.2 -2,-0.2 -1,-0.1 -0.519 52.2 -85.5 -74.7 142.6 5.3 40.5 57.6 159 172 1 T > - 0 0 59 -2,-0.2 4,-2.7 1,-0.1 3,-0.4 0.084 45.0 -97.5 -42.7 155.8 4.7 43.9 56.1 160 173 1 P H > S+ 0 0 27 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.853 123.8 53.2 -45.7 -44.4 6.1 47.0 58.0 161 174 1 D H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.919 110.5 44.4 -61.8 -46.7 2.7 47.6 59.7 162 175 1 K H > S+ 0 0 103 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.974 114.2 51.7 -60.3 -51.8 2.4 44.1 61.1 163 176 1 A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.877 106.4 53.3 -50.9 -45.1 6.0 44.2 62.2 164 177 1 L H X S+ 0 0 4 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.942 109.3 49.2 -57.6 -46.8 5.4 47.5 64.0 165 178 1 L H X S+ 0 0 97 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.917 108.7 52.6 -58.6 -45.1 2.6 45.9 65.9 166 179 1 A H X S+ 0 0 19 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.887 109.0 50.8 -59.8 -37.6 4.7 42.9 66.8 167 180 1 I H X S+ 0 0 3 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.953 111.6 47.4 -64.2 -47.9 7.3 45.3 68.1 168 181 1 E H < S+ 0 0 38 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.908 111.7 49.6 -59.8 -45.3 4.7 47.1 70.2 169 182 1 K H < S+ 0 0 163 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.933 110.1 51.1 -60.6 -45.9 3.2 43.9 71.6 170 183 1 G H < S+ 0 0 29 -4,-2.2 2,-3.4 1,-0.2 -1,-0.2 0.831 88.9 82.0 -61.2 -34.5 6.7 42.6 72.6 171 184 1 F < 0 0 63 -4,-1.8 -1,-0.2 -5,-0.2 -3,-0.1 -0.223 360.0 360.0 -68.6 54.4 7.5 45.8 74.4 172 185 1 K 0 0 174 -2,-3.4 -1,-0.1 -3,-0.0 -4,-0.0 -0.704 360.0 360.0-147.3 360.0 5.6 44.6 77.5