==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-JAN-08 3BW2 . COMPND 2 MOLECULE: 2-NITROPROPANE DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ANSOCHROMOGENES; . AUTHOR Y.H.LI,Z.Q.GAO,H.F.HOU . 347 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.9 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 . 0 0.0 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 . 18 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 1 0 3 0 1 4 1 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 4 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 . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 A S > 0 0 55 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 118.9 39.4 144.4 -61.7 2 4 A A T 4 + 0 0 60 1,-0.2 4,-0.5 2,-0.2 141,-0.1 0.864 360.0 50.2 -52.3 -39.8 40.2 143.0 -65.2 3 5 A L T >4 S+ 0 0 6 1,-0.2 3,-2.0 2,-0.2 4,-0.5 0.985 111.9 42.3 -64.3 -61.6 42.6 140.5 -63.6 4 6 A T T 34 S+ 0 0 37 1,-0.3 -1,-0.2 2,-0.2 3,-0.2 0.599 103.8 69.5 -64.3 -10.5 40.3 139.1 -60.8 5 7 A D T 3< S+ 0 0 124 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.724 89.4 65.2 -78.5 -19.6 37.5 139.0 -63.4 6 8 A L S < S+ 0 0 59 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.807 112.3 23.4 -70.6 -33.8 39.4 136.2 -65.2 7 9 A F S S- 0 0 10 -4,-0.5 -1,-0.1 -3,-0.2 28,-0.1 -0.988 73.0-127.8-137.5 147.7 39.1 133.7 -62.3 8 10 A P S S+ 0 0 110 0, 0.0 26,-0.1 0, 0.0 -1,-0.1 0.821 88.2 58.9 -61.4 -40.5 36.7 133.3 -59.3 9 11 A L S S- 0 0 42 24,-2.1 2,-2.0 2,-0.1 26,-0.1 -0.787 79.9-128.6-101.2 141.0 39.1 133.0 -56.4 10 12 A P S S+ 0 0 20 0, 0.0 220,-2.2 0, 0.0 2,-0.5 -0.202 73.6 117.1 -76.2 47.5 41.7 135.8 -55.5 11 13 A I E -a 230 0A 0 -2,-2.0 24,-2.3 22,-0.2 2,-0.5 -0.973 43.3-172.4-125.6 126.2 44.4 133.1 -55.5 12 14 A V E -ab 231 35A 0 218,-3.2 220,-3.4 -2,-0.5 2,-0.7 -0.962 19.8-139.7-119.8 129.4 47.4 133.0 -57.8 13 15 A Q E -a 232 0A 0 22,-2.4 220,-0.2 -2,-0.5 218,-0.1 -0.785 33.1-122.9 -86.1 116.1 49.8 130.1 -58.0 14 16 A A - 0 0 10 218,-2.7 2,-0.2 -2,-0.7 23,-0.2 -0.267 22.7-110.4 -60.2 139.2 53.3 131.7 -58.4 15 17 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 23,-0.1 -0.557 38.3-167.9 -69.3 136.5 55.3 130.7 -61.4 16 18 A M >> - 0 0 28 21,-0.3 5,-2.4 -2,-0.2 4,-0.6 -0.939 4.1-154.4-134.5 111.9 58.2 128.6 -60.2 17 19 A A T 45 + 0 0 27 -2,-0.4 3,-0.4 3,-0.2 25,-0.1 -0.013 66.7 68.7 -72.5-179.1 61.1 127.8 -62.5 18 20 A G T 45S- 0 0 65 23,-0.5 -1,-0.2 1,-0.2 24,-0.1 0.745 128.5 -60.6 78.7 22.5 63.4 124.8 -62.2 19 21 A G T 45S+ 0 0 31 20,-0.1 3,-0.3 -3,-0.1 -1,-0.2 0.619 110.5 114.5 80.8 13.1 60.7 122.3 -63.1 20 22 A V T <5 + 0 0 12 -4,-0.6 223,-3.0 -3,-0.4 2,-1.6 0.971 69.2 48.0 -79.6 -59.1 58.4 123.1 -60.2 21 23 A S S > - 0 0 38 -2,-1.6 4,-1.7 219,-0.4 3,-1.4 -0.307 52.7 -92.6 -79.9 165.9 54.6 122.1 -64.6 23 25 A P H 3> S+ 0 0 12 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.865 124.3 59.4 -47.1 -43.5 51.4 122.1 -66.7 24 26 A Q H 3> S+ 0 0 121 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.834 106.2 48.1 -58.5 -32.8 49.7 119.6 -64.3 25 27 A L H <> S+ 0 0 0 -3,-1.4 4,-2.2 216,-0.4 -1,-0.2 0.972 112.8 45.9 -71.4 -53.7 50.2 122.1 -61.4 26 28 A A H X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.2 10,-0.3 0.903 112.2 52.7 -55.0 -44.1 48.8 125.1 -63.3 27 29 A A H X S+ 0 0 10 -4,-2.9 4,-3.3 -5,-0.2 5,-0.2 0.927 107.7 49.7 -59.4 -47.2 45.9 123.1 -64.5 28 30 A A H X S+ 0 0 17 -4,-1.7 4,-1.0 -5,-0.2 -1,-0.2 0.898 113.9 46.6 -60.2 -40.1 44.8 121.9 -61.1 29 31 A V H ><>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 3,-0.8 0.967 114.3 46.8 -65.7 -51.9 45.0 125.4 -59.8 30 32 A C H ><5S+ 0 0 2 -4,-3.2 3,-1.7 1,-0.3 -2,-0.2 0.919 111.2 51.5 -54.7 -48.6 43.0 126.8 -62.8 31 33 A E H 3<5S+ 0 0 101 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.733 106.9 54.8 -63.6 -22.4 40.4 124.0 -62.5 32 34 A A T <<5S- 0 0 29 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.418 128.2 -95.7 -90.6 -0.6 39.9 124.8 -58.8 33 35 A G T < 5S+ 0 0 10 -3,-1.7 -24,-2.1 -4,-0.3 -22,-0.2 0.424 90.4 106.8 103.9 -2.2 39.2 128.5 -59.6 34 36 A G S + 0 0 1 26,-2.4 3,-2.0 -2,-0.6 27,-0.1 0.503 42.2 126.7 -93.5 -5.7 59.4 130.2 -68.8 41 43 A G T 3 S+ 0 0 1 25,-0.3 -23,-0.5 1,-0.3 3,-0.1 -0.302 82.6 0.2 -57.5 128.7 62.5 131.1 -66.8 42 44 A Y T 3 S+ 0 0 79 1,-0.3 -1,-0.3 63,-0.1 2,-0.2 0.396 109.2 110.5 72.5 -1.2 65.6 129.2 -67.9 43 45 A K S < S- 0 0 48 -3,-2.0 -1,-0.3 62,-0.2 2,-0.2 -0.566 72.6-109.6 -97.4 166.6 63.6 127.4 -70.7 44 46 A T > - 0 0 92 -2,-0.2 4,-2.5 -3,-0.1 5,-0.2 -0.493 35.1-105.4 -86.4 164.9 63.9 127.9 -74.4 45 47 A A H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.859 124.9 51.5 -59.0 -33.6 61.1 129.6 -76.3 46 48 A D H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.912 106.8 51.1 -69.5 -43.7 60.2 126.1 -77.6 47 49 A G H > S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.932 112.3 47.6 -58.9 -45.5 60.2 124.5 -74.2 48 50 A M H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.938 110.5 52.5 -60.0 -47.1 57.9 127.3 -72.9 49 51 A Y H X S+ 0 0 49 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.878 105.4 54.1 -59.1 -39.7 55.7 126.8 -76.0 50 52 A Q H X S+ 0 0 95 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.890 109.1 48.2 -63.2 -39.3 55.3 123.1 -75.5 51 53 A E H X S+ 0 0 32 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.902 108.7 54.1 -68.1 -39.5 54.1 123.6 -71.9 52 54 A I H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.940 112.0 44.1 -58.6 -46.7 51.6 126.3 -73.0 53 55 A K H X S+ 0 0 101 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.923 112.8 52.7 -63.3 -43.7 50.1 123.8 -75.5 54 56 A R H >X S+ 0 0 131 -4,-2.4 3,-0.7 1,-0.2 4,-0.5 0.940 110.1 47.8 -55.8 -51.0 50.2 121.0 -72.9 55 57 A L H >X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.3 3,-1.2 0.854 104.4 58.5 -61.3 -39.3 48.3 123.2 -70.4 56 58 A R H 3< S+ 0 0 80 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.790 105.5 52.1 -62.6 -25.8 45.6 124.3 -73.0 57 59 A G H << S+ 0 0 69 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.624 112.2 46.3 -83.6 -13.6 44.9 120.6 -73.4 58 60 A L H << S+ 0 0 60 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.758 125.4 10.0 -97.1 -31.1 44.5 120.3 -69.6 59 61 A T < - 0 0 8 -4,-2.5 -1,-0.3 2,-0.1 4,-0.0 -0.999 43.6-157.2-150.9 150.3 42.3 123.3 -69.0 60 62 A G + 0 0 84 -2,-0.3 -4,-0.1 -3,-0.1 3,-0.1 0.358 69.9 103.2-104.0 2.7 40.3 125.9 -70.9 61 63 A R S S- 0 0 133 1,-0.1 -31,-0.1 -34,-0.1 -30,-0.1 -0.451 85.0 -79.6 -85.5 158.3 40.5 128.3 -68.0 62 64 A P + 0 0 33 0, 0.0 -26,-0.6 0, 0.0 2,-0.3 -0.222 54.3 168.4 -58.1 141.7 42.8 131.4 -67.8 63 65 A F E -c 36 0A 7 -28,-0.2 58,-1.5 -3,-0.1 2,-0.3 -0.919 22.7-125.3-146.5 168.8 46.5 130.9 -66.8 64 66 A G E -cd 37 121A 0 -28,-2.5 -26,-2.7 -2,-0.3 2,-0.4 -0.810 4.5-153.1-122.7 163.0 49.7 132.8 -66.8 65 67 A V E -cd 38 122A 0 56,-1.8 58,-2.1 -2,-0.3 2,-0.4 -1.000 15.9-150.9-132.6 129.8 53.2 132.6 -68.2 66 68 A N E -cd 39 123A 8 -28,-2.2 -26,-2.4 -2,-0.4 2,-0.3 -0.855 11.9-171.1-107.1 137.3 56.1 134.3 -66.5 67 69 A V E - d 0 124A 2 56,-2.6 58,-2.0 -2,-0.4 2,-0.3 -0.951 20.1-124.0-128.2 148.6 59.3 135.5 -68.2 68 70 A F E - d 0 125A 20 -2,-0.3 58,-0.2 37,-0.2 39,-0.1 -0.710 26.7-120.7 -90.6 139.8 62.6 136.8 -67.0 69 71 A M - 0 0 22 56,-2.5 -1,-0.0 -2,-0.3 36,-0.0 -0.516 38.1 -98.9 -75.4 143.4 63.8 140.2 -68.1 70 72 A P - 0 0 48 0, 0.0 34,-0.3 0, 0.0 -1,-0.1 -0.318 39.1-137.5 -60.6 147.6 67.2 140.2 -69.9 71 73 A Q - 0 0 26 32,-2.5 34,-0.1 -3,-0.1 2,-0.0 -0.917 12.1-121.2-113.2 136.0 70.1 141.1 -67.6 72 74 A P - 0 0 100 0, 0.0 2,-0.0 0, 0.0 -1,-0.0 -0.359 36.0 -98.3 -71.3 152.7 73.0 143.4 -68.6 73 75 A E 0 0 146 1,-0.1 217,-0.0 -2,-0.0 30,-0.0 -0.295 360.0 360.0 -67.0 154.0 76.5 142.2 -68.5 74 76 A L 0 0 122 215,-0.0 -1,-0.1 -2,-0.0 215,-0.0 -0.548 360.0 360.0 -70.3 360.0 78.6 143.0 -65.4 75 ! 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 76 80 A G > 0 0 87 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -49.1 86.9 139.4 -61.2 77 81 A A H > + 0 0 56 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.887 360.0 53.3 -64.7 -40.0 84.4 138.5 -58.5 78 82 A V H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.893 107.2 52.0 -61.9 -41.2 83.0 135.7 -60.6 79 83 A E H > S+ 0 0 153 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 110.7 48.0 -61.8 -43.8 86.4 134.2 -61.0 80 84 A V H X S+ 0 0 80 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.891 112.4 47.8 -65.1 -41.7 87.0 134.3 -57.3 81 85 A Y H X S+ 0 0 1 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.914 109.2 53.6 -66.7 -42.2 83.7 132.7 -56.5 82 86 A A H >< S+ 0 0 24 -4,-2.6 3,-1.0 1,-0.2 4,-0.2 0.924 108.2 51.1 -56.5 -45.4 84.3 130.0 -59.1 83 87 A H H >< S+ 0 0 146 -4,-2.0 3,-1.9 1,-0.3 4,-0.3 0.926 106.6 53.4 -57.4 -46.9 87.6 129.2 -57.4 84 88 A Q H 3< S+ 0 0 79 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.653 105.5 56.2 -64.8 -15.4 85.9 129.0 -54.0 85 89 A L T S+ 0 0 55 -3,-1.9 4,-2.3 1,-0.2 5,-0.2 0.875 81.1 53.3 -54.2 -39.6 86.4 124.1 -56.7 87 91 A G H > S+ 0 0 54 -3,-0.3 4,-2.7 -4,-0.3 -1,-0.2 0.897 107.4 50.1 -63.3 -41.0 85.7 121.8 -53.7 88 92 A E H > S+ 0 0 8 -3,-0.3 4,-2.9 -4,-0.2 -2,-0.2 0.916 109.8 51.6 -62.8 -43.8 82.0 121.5 -54.6 89 93 A A H <>S+ 0 0 16 -4,-2.3 5,-2.5 1,-0.2 -2,-0.2 0.927 112.8 44.6 -59.3 -47.2 82.9 120.6 -58.2 90 94 A A H ><5S+ 0 0 71 -4,-2.3 3,-0.9 3,-0.2 -2,-0.2 0.932 114.6 49.0 -63.8 -46.6 85.3 117.9 -57.1 91 95 A W H 3<5S+ 0 0 187 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.931 117.2 39.1 -60.1 -49.4 82.9 116.5 -54.5 92 96 A Y T 3<5S- 0 0 23 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.386 109.5-130.0 -82.4 5.3 79.9 116.4 -56.8 93 97 A E T < 5 + 0 0 174 -3,-0.9 2,-0.3 -5,-0.2 -3,-0.2 0.892 67.5 110.6 45.8 54.5 82.3 115.2 -59.5 94 98 A T < - 0 0 47 -5,-2.5 2,-0.2 -6,-0.2 -1,-0.2 -0.986 68.9-106.1-152.1 155.4 81.2 117.7 -62.1 95 99 A E - 0 0 164 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.0 -0.551 38.7-107.6 -83.5 148.1 82.5 120.8 -63.8 96 100 A L - 0 0 46 -2,-0.2 201,-0.2 1,-0.1 200,-0.2 -0.419 43.5-106.2 -70.0 151.2 81.2 124.3 -62.9 97 101 A G - 0 0 18 199,-1.9 -1,-0.1 198,-0.4 198,-0.1 -0.268 39.7 -86.1 -75.4 167.2 79.0 125.7 -65.7 98 102 A D - 0 0 103 1,-0.2 3,-0.4 197,-0.1 -1,-0.1 -0.632 31.5-149.8 -75.1 119.7 80.1 128.5 -68.0 99 103 A P S S+ 0 0 34 0, 0.0 2,-0.7 0, 0.0 196,-0.2 0.757 93.4 59.9 -61.5 -23.4 79.4 131.8 -66.3 100 104 A D + 0 0 97 1,-0.1 3,-0.1 195,-0.1 -2,-0.1 -0.530 68.2 125.0-104.6 64.8 78.8 133.4 -69.7 101 105 A G S S- 0 0 44 -2,-0.7 -1,-0.1 -3,-0.4 -3,-0.0 -0.217 78.4 -44.0-117.9 44.7 75.9 131.2 -70.8 102 106 A G - 0 0 37 2,-0.1 -1,-0.3 1,-0.1 193,-0.1 0.337 37.7-169.3 104.7 127.7 73.2 133.7 -71.7 103 107 A R S S+ 0 0 46 -3,-0.1 -32,-2.5 188,-0.0 -1,-0.1 0.495 85.0 60.6-121.5 -13.0 71.7 136.8 -70.1 104 108 A D S > S- 0 0 88 -34,-0.3 3,-1.5 2,-0.0 -36,-0.1 0.689 83.4-149.1 -88.7 -23.2 68.6 137.3 -72.3 105 109 A D T 3 - 0 0 38 1,-0.3 -37,-0.2 2,-0.1 -62,-0.2 0.842 67.3 -60.9 54.8 38.0 67.0 133.9 -71.4 106 110 A G T 3> S+ 0 0 21 3,-0.1 4,-2.9 -64,-0.1 5,-0.3 0.693 88.5 154.7 65.6 20.9 65.3 133.8 -74.8 107 111 A Y H <> + 0 0 19 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.883 69.2 45.4 -44.3 -55.8 63.3 137.0 -74.2 108 112 A D H > S+ 0 0 131 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.914 116.3 44.8 -59.6 -46.1 62.9 138.0 -77.8 109 113 A A H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.863 113.2 51.2 -67.6 -36.4 61.9 134.5 -79.0 110 114 A K H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.908 108.7 50.7 -68.3 -40.3 59.5 134.0 -76.0 111 115 A L H X S+ 0 0 17 -4,-2.5 4,-1.9 -5,-0.3 5,-0.2 0.875 106.8 55.6 -63.6 -37.0 57.8 137.3 -76.7 112 116 A A H X S+ 0 0 58 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.925 110.6 45.2 -60.9 -43.6 57.4 136.3 -80.4 113 117 A V H X S+ 0 0 29 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.936 113.2 48.7 -65.1 -47.5 55.6 133.1 -79.2 114 118 A L H < S+ 0 0 1 -4,-2.7 5,-0.3 1,-0.2 -1,-0.2 0.758 116.4 43.8 -65.9 -25.6 53.4 135.0 -76.6 115 119 A L H < S+ 0 0 50 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.785 113.8 48.9 -89.3 -30.3 52.4 137.6 -79.2 116 120 A D H < S+ 0 0 134 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.800 130.1 20.4 -78.7 -28.6 51.8 135.1 -82.0 117 121 A D S < S- 0 0 53 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.543 95.0-146.1-139.9 68.9 49.6 132.8 -79.9 118 122 A P - 0 0 49 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.123 8.2-154.8 -39.8 138.7 48.5 135.0 -76.9 119 123 A V - 0 0 4 -5,-0.3 24,-0.1 1,-0.1 3,-0.1 -0.759 28.8-108.8-111.7 162.2 47.9 133.6 -73.5 120 124 A P S S+ 0 0 40 0, 0.0 23,-2.6 0, 0.0 2,-0.4 0.896 96.3 15.5 -59.0 -44.6 45.6 135.1 -70.8 121 125 A V E -de 64 143A 0 -58,-1.5 -56,-1.8 21,-0.2 2,-0.4 -0.995 58.3-174.2-138.3 140.1 48.2 136.5 -68.5 122 126 A V E -de 65 144A 0 21,-2.4 23,-2.3 -2,-0.4 2,-0.3 -1.000 8.8-169.8-132.4 132.1 52.0 137.2 -68.7 123 127 A S E -de 66 145A 0 -58,-2.1 -56,-2.6 -2,-0.4 2,-0.4 -0.883 9.0-146.0-121.1 155.2 54.1 138.4 -65.8 124 128 A F E -de 67 146A 0 21,-1.7 23,-1.6 -2,-0.3 2,-0.3 -0.938 8.9-163.6-123.2 145.0 57.7 139.6 -65.8 125 129 A H E +d 68 0A 24 -58,-2.0 -56,-2.5 -2,-0.4 52,-0.1 -0.932 65.9 28.7-128.0 150.5 60.4 139.2 -63.2 126 130 A F S S- 0 0 3 -2,-0.3 2,-0.3 -58,-0.2 -1,-0.2 0.800 121.8 -18.3 74.5 33.6 63.8 141.0 -62.6 127 131 A G S S- 0 0 6 50,-0.4 20,-0.2 20,-0.3 -3,-0.1 -0.872 83.1 -63.5 138.3-171.0 62.6 144.4 -64.1 128 132 A V - 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0 0 14 -3,-2.5 2,-0.4 -72,-0.2 -89,-0.1 -0.304 43.0-151.3 -61.6 141.6 53.4 123.8 -46.1 325 329 A R - 0 0 55 -90,-0.4 2,-0.9 2,-0.1 -87,-0.1 -0.967 5.7-141.5-121.2 130.5 50.7 121.2 -46.7 326 330 A E + 0 0 125 -2,-0.4 -87,-0.2 -87,-0.1 -90,-0.1 -0.782 56.0 98.3 -95.6 102.4 51.2 118.1 -48.9 327 331 A L S S- 0 0 40 -2,-0.9 -87,-1.3 -89,-0.1 -86,-0.2 -0.938 80.7 -51.1-165.1 175.5 48.1 117.3 -50.9 328 332 A P > - 0 0 50 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.324 49.4-125.1 -60.5 142.6 46.7 117.9 -54.4 329 333 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.864 110.8 56.9 -56.5 -38.3 46.9 121.5 -55.5 330 334 A G H > S+ 0 0 14 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 107.3 47.3 -61.8 -38.7 43.2 121.5 -56.2 331 335 A R H > S+ 0 0 143 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.842 108.1 56.3 -71.8 -32.3 42.4 120.5 -52.7 332 336 A L H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.877 105.2 51.7 -66.0 -37.1 44.8 123.1 -51.4 333 337 A V H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.918 109.8 50.4 -64.5 -41.0 42.8 125.8 -53.3 334 338 A E H X S+ 0 0 106 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.908 112.0 46.3 -63.1 -43.7 39.7 124.5 -51.6 335 339 A V H X S+ 0 0 48 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.935 113.7 48.5 -65.0 -45.9 41.2 124.6 -48.2 336 340 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.910 110.6 52.0 -60.2 -41.0 42.5 128.1 -48.8 337 341 A A H X S+ 0 0 26 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.892 110.9 47.3 -62.2 -40.4 39.1 129.2 -50.1 338 342 A A H X S+ 0 0 62 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.888 112.6 48.5 -68.3 -40.3 37.5 127.8 -46.9 339 343 A E H X S+ 0 0 35 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.891 110.8 52.3 -67.1 -38.2 40.0 129.6 -44.7 340 344 A L H X S+ 0 0 8 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.947 111.3 45.4 -60.8 -50.9 39.5 132.8 -46.7 341 345 A A H X S+ 0 0 50 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.915 111.8 52.7 -60.1 -43.8 35.7 132.6 -46.2 342 346 A E H X S+ 0 0 142 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.898 111.2 46.4 -59.5 -41.9 36.1 131.8 -42.5 343 347 A A H X S+ 0 0 24 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.889 109.7 54.4 -68.7 -39.5 38.4 134.8 -42.0 344 348 A R H < S+ 0 0 136 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.958 108.9 48.0 -57.3 -53.0 36.0 137.1 -43.9 345 349 A T H >< S+ 0 0 98 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.908 108.8 54.3 -54.3 -46.6 33.1 136.1 -41.7 346 350 A A H 3< S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.898 99.4 60.7 -56.3 -43.9 35.2 136.7 -38.6 347 351 A L T 3< 0 0 135 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.435 360.0 360.0 -65.0 3.3 36.0 140.2 -39.7 348 352 A S < 0 0 128 -3,-1.9 -1,-0.3 -5,-0.1 -4,-0.0 -0.565 360.0 360.0-157.3 360.0 32.3 140.8 -39.5