==== 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 22-JUL-08 3DWS . COMPND 2 MOLECULE: COPROPORPHYRINOGEN III OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR I.LE TRONG,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PRO . 606 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 22.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 26 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 4 0 0 2 2 0 0 0 2 0 0 2 0 0 0 0 2 0 0 0 0 0 3 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 1 0 0 4 0 1 1 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 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 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 0 A H 0 0 101 0, 0.0 3,-0.3 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 97.2 41.8 56.3 69.4 2 1 A X >> + 0 0 37 1,-0.2 4,-2.7 2,-0.1 3,-0.8 0.111 360.0 132.4 -96.8 17.3 39.9 53.0 69.2 3 2 A S H 3> S+ 0 0 83 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.784 75.7 43.5 -46.8 -39.5 42.8 50.6 70.0 4 3 A L H 3> S+ 0 0 149 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.818 112.4 51.0 -78.2 -33.4 40.8 48.6 72.6 5 4 A A H <> S+ 0 0 23 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.920 112.2 49.4 -64.6 -41.9 37.6 48.4 70.5 6 5 A V H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.874 108.4 52.0 -65.2 -38.4 39.9 47.1 67.7 7 6 A E H X S+ 0 0 83 -4,-1.7 4,-3.0 -5,-0.3 -1,-0.2 0.920 107.0 53.5 -64.2 -43.2 41.5 44.5 69.9 8 7 A A H X S+ 0 0 39 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.887 110.6 47.5 -54.2 -44.0 38.1 43.2 71.0 9 8 A V H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.946 111.7 49.8 -62.2 -50.8 37.3 42.8 67.3 10 9 A K H X S+ 0 0 30 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.896 109.4 51.7 -52.5 -46.1 40.6 41.1 66.7 11 10 A D H X S+ 0 0 104 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.855 111.5 48.0 -64.0 -35.5 40.0 38.7 69.6 12 11 A F H X S+ 0 0 31 -4,-1.6 4,-3.1 -5,-0.2 -2,-0.2 0.917 109.0 51.3 -69.5 -49.2 36.6 37.8 68.2 13 12 A L H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.874 110.2 50.0 -56.5 -42.9 37.8 37.2 64.6 14 13 A L H X S+ 0 0 54 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.874 114.2 45.3 -65.1 -37.0 40.5 34.8 65.9 15 14 A K H X S+ 0 0 126 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.872 109.3 54.3 -73.5 -38.7 37.9 33.0 67.9 16 15 A L H X S+ 0 0 10 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.889 107.4 52.2 -59.6 -41.3 35.4 32.9 65.1 17 16 A Q H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.941 110.9 45.9 -63.0 -48.0 38.0 31.3 62.9 18 17 A D H X S+ 0 0 71 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.939 114.0 51.1 -57.2 -46.6 38.7 28.6 65.6 19 18 A D H X S+ 0 0 51 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.894 111.5 44.8 -62.6 -42.5 35.0 28.1 66.0 20 19 A I H X S+ 0 0 4 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.910 115.3 48.4 -67.1 -41.0 34.3 27.7 62.3 21 20 A C H X S+ 0 0 3 -4,-2.5 4,-3.3 -5,-0.2 5,-0.2 0.952 111.2 48.3 -63.6 -51.9 37.3 25.3 61.8 22 21 A E H X S+ 0 0 133 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.922 113.9 48.4 -52.0 -49.1 36.5 23.1 64.8 23 22 A A H X S+ 0 0 27 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.869 114.3 44.8 -62.0 -42.1 32.8 22.9 63.6 24 23 A L H X S+ 0 0 1 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.864 111.9 52.2 -72.9 -37.0 33.8 22.0 60.0 25 24 A E H X S+ 0 0 60 -4,-3.3 4,-2.8 1,-0.2 3,-0.3 0.938 106.4 54.8 -60.7 -45.2 36.4 19.5 61.2 26 25 A A H < S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.831 108.9 48.6 -57.7 -35.0 33.7 17.9 63.3 27 26 A E H < S+ 0 0 27 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.813 115.3 43.4 -73.4 -33.5 31.6 17.5 60.2 28 27 A D H < S- 0 0 11 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.1 0.923 74.3-174.8 -80.1 -50.0 34.4 16.0 58.1 29 28 A G S < S+ 0 0 73 -4,-2.8 -3,-0.1 2,-0.2 3,-0.1 0.453 71.6 60.9 66.1 3.0 35.9 13.5 60.6 30 29 A Q S S+ 0 0 138 1,-0.4 2,-0.2 -5,-0.2 -1,-0.2 0.680 101.0 35.2-119.3 -57.4 38.8 12.6 58.2 31 30 A A - 0 0 21 -6,-0.1 -1,-0.4 26,-0.1 2,-0.3 -0.662 64.2-154.5-102.4 157.2 40.9 15.7 57.5 32 31 A T - 0 0 88 -2,-0.2 20,-0.3 20,-0.1 2,-0.2 -0.887 32.8 -89.2-123.9 159.6 41.8 18.7 59.7 33 32 A F - 0 0 17 -2,-0.3 2,-0.5 18,-0.1 18,-0.2 -0.472 34.8-149.2 -66.8 132.7 42.7 22.3 58.8 34 33 A V E -A 50 0A 98 16,-3.2 16,-2.6 -2,-0.2 2,-0.4 -0.915 18.8-136.2-100.5 134.5 46.5 22.9 58.3 35 34 A E E -A 49 0A 80 -2,-0.5 2,-0.5 14,-0.2 14,-0.2 -0.749 18.5-169.6-102.4 140.9 47.5 26.3 59.3 36 35 A D E -A 48 0A 43 12,-2.6 12,-2.4 -2,-0.4 2,-0.4 -0.894 10.0-163.6-127.1 98.2 49.8 28.7 57.5 37 36 A K E +A 47 0A 130 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.689 18.1 178.9 -87.5 132.3 50.8 31.8 59.5 38 37 A W E -A 46 0A 32 8,-3.0 8,-1.5 -2,-0.4 2,-0.3 -0.869 19.4-159.8-137.1 165.8 52.3 34.6 57.5 39 38 A T E -A 45 0A 105 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.942 8.9-150.9-141.4 155.5 53.7 38.1 57.7 40 39 A R > - 0 0 111 4,-1.8 3,-1.3 -2,-0.3 2,-0.3 -0.883 41.0 -76.2-129.3 161.7 54.3 41.0 55.3 41 40 A E T 3 S- 0 0 78 -2,-0.3 4,-0.0 1,-0.3 0, 0.0 -0.428 110.5 -29.0 -56.5 114.5 56.7 43.9 54.9 42 41 A G T 3 S+ 0 0 82 -2,-0.3 -1,-0.3 1,-0.1 28,-0.2 0.836 122.1 97.0 35.8 54.8 55.5 46.4 57.5 43 42 A G S < S- 0 0 10 -3,-1.3 25,-0.2 1,-0.3 23,-0.2 0.067 81.1-122.7-159.2 38.8 51.9 45.2 57.3 44 43 A G - 0 0 37 -4,-0.2 -4,-1.8 23,-0.2 -1,-0.3 -0.333 38.0-146.4 55.7-121.6 51.0 42.7 60.0 45 44 A G E -AB 39 66A 9 21,-2.2 21,-3.3 -6,-0.2 2,-0.3 -0.973 5.2-102.0 163.2-142.1 49.8 39.4 58.3 46 45 A G E -AB 38 65A 5 -8,-1.5 -8,-3.0 -2,-0.3 2,-0.5 -0.986 13.7-117.6-167.6 173.6 47.4 36.6 58.7 47 46 A R E -AB 37 64A 109 17,-2.0 17,-1.3 -2,-0.3 2,-0.7 -0.928 28.4-164.5-128.5 104.0 46.7 32.9 59.6 48 47 A T E -AB 36 63A 1 -12,-2.4 -12,-2.6 -2,-0.5 2,-0.5 -0.815 2.0-167.7 -94.8 115.2 45.4 30.9 56.7 49 48 A R E -AB 35 62A 46 13,-1.2 13,-2.7 -2,-0.7 2,-0.4 -0.913 11.1-174.8-102.9 125.4 43.9 27.6 57.6 50 49 A V E -AB 34 61A 24 -16,-2.6 -16,-3.2 -2,-0.5 2,-0.4 -0.919 15.7-163.6-123.2 145.0 43.2 25.2 54.7 51 50 A X E + B 0 60A 2 9,-3.3 9,-2.3 -2,-0.4 2,-0.4 -0.995 14.8 176.8-122.9 127.2 41.5 21.8 54.4 52 51 A V E + B 0 59A 94 -2,-0.4 7,-0.2 -20,-0.3 6,-0.2 -0.974 57.3 5.1-130.5 144.5 42.1 19.7 51.3 53 52 A D S S+ 0 0 106 5,-2.8 5,-0.2 -2,-0.4 -1,-0.2 0.908 79.6 155.8 53.0 56.1 40.8 16.1 50.4 54 53 A G - 0 0 6 3,-2.1 -1,-0.1 -3,-0.1 -25,-0.1 -0.359 59.8-101.2 -92.5-178.2 38.6 15.4 53.3 55 54 A A S S+ 0 0 46 -2,-0.1 3,-0.1 -27,-0.1 -26,-0.1 0.833 120.1 5.7 -69.0 -35.4 35.6 13.0 53.6 56 55 A V S S+ 0 0 13 1,-0.2 44,-2.5 44,-0.1 2,-0.7 0.703 126.4 59.5-118.5 -42.8 33.3 16.0 53.2 57 56 A I E + C 0 99A 4 42,-0.3 -3,-2.1 1,-0.2 -1,-0.2 -0.854 51.2 176.2-100.4 108.9 35.4 19.1 52.4 58 57 A E E S+ 0 0 25 40,-1.0 -5,-2.8 -2,-0.7 2,-0.3 0.877 79.2 5.0 -77.1 -42.6 37.5 18.7 49.3 59 58 A K E S+BC 52 98A 15 39,-1.9 39,-3.1 -7,-0.2 -1,-0.3 -0.965 78.1 160.6-143.4 126.6 38.9 22.3 49.4 60 59 A G E -BC 51 97A 4 -9,-2.3 -9,-3.3 -2,-0.3 2,-0.4 -0.983 13.4-174.9-152.1 136.0 38.2 24.7 52.2 61 60 A G E -BC 50 96A 0 35,-1.9 35,-1.5 -2,-0.3 2,-0.4 -0.997 9.0-178.3-135.5 129.7 39.9 27.8 53.5 62 61 A V E -BC 49 95A 0 -13,-2.7 -13,-1.2 -2,-0.4 2,-0.3 -0.877 24.3-171.5-123.7 100.1 39.2 29.9 56.6 63 62 A N E -BC 48 94A 9 31,-2.9 31,-1.8 -2,-0.4 2,-0.4 -0.619 20.2-163.9 -95.9 144.5 41.5 32.9 56.7 64 63 A F E +BC 47 93A 15 -17,-1.3 -17,-2.0 -2,-0.3 2,-0.4 -0.990 18.4 175.8-116.1 135.2 42.3 35.6 59.2 65 64 A S E -BC 46 92A 34 27,-2.0 27,-2.4 -2,-0.4 2,-0.3 -0.976 16.2-174.3-135.5 148.5 44.1 38.6 57.9 66 65 A H E -BC 45 91A 12 -21,-3.3 -21,-2.2 -2,-0.4 2,-0.5 -0.940 15.2-167.3-141.6 115.4 45.1 41.8 59.6 67 66 A V E - C 0 90A 55 23,-3.8 23,-2.4 -2,-0.3 2,-0.3 -0.929 8.1-173.9-113.9 125.5 46.6 44.4 57.4 68 67 A Y E + C 0 89A 100 -2,-0.5 2,-0.3 -25,-0.2 21,-0.2 -0.726 15.5 162.4-100.6 165.4 48.5 47.6 58.4 69 68 A G E - C 0 88A 19 19,-1.0 19,-2.3 -2,-0.3 2,-0.7 -0.862 40.3-123.9-178.6 145.8 49.6 50.2 56.0 70 69 A K E S- C 0 87A 194 -2,-0.3 17,-0.2 17,-0.2 16,-0.1 -0.886 91.7 -1.4 -99.0 108.8 50.8 53.8 55.7 71 70 A G S S- 0 0 19 15,-1.8 14,-0.3 -2,-0.7 13,-0.1 0.460 97.9 -82.2 81.4 133.2 48.4 55.5 53.2 72 71 A L - 0 0 16 12,-1.5 5,-0.1 11,-0.3 -2,-0.0 -0.349 56.8 -97.7 -63.6 147.0 45.7 53.6 51.4 73 72 A P >> - 0 0 38 0, 0.0 4,-0.7 0, 0.0 3,-0.6 -0.105 38.9 -96.8 -62.8 169.0 46.8 51.6 48.4 74 73 A X T >4 S+ 0 0 169 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.815 119.8 52.6 -60.2 -39.2 46.4 53.0 44.8 75 74 A S T >> S+ 0 0 25 1,-0.2 3,-0.9 2,-0.2 4,-0.7 0.830 104.8 56.3 -67.8 -33.9 43.1 51.2 44.0 76 75 A S H <> S+ 0 0 19 -3,-0.6 4,-4.0 1,-0.2 -1,-0.2 0.646 90.9 71.5 -74.0 -17.9 41.3 52.5 47.1 77 76 A T H << S+ 0 0 44 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.639 94.8 55.5 -74.6 -14.4 42.0 56.2 46.3 78 77 A E H <4 S+ 0 0 168 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.849 122.2 26.8 -78.7 -40.4 39.4 55.9 43.5 79 78 A R H < S+ 0 0 79 -4,-0.7 -2,-0.2 1,-0.2 -3,-0.1 0.792 137.4 30.4 -89.6 -35.4 36.7 54.6 45.9 80 79 A H < + 0 0 28 -4,-4.0 3,-0.3 1,-0.1 -1,-0.2 -0.669 68.0 147.8-126.2 74.1 38.1 56.3 49.1 81 80 A P > + 0 0 82 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.900 65.3 66.4 -72.8 -41.6 39.9 59.5 48.0 82 81 A D T 3 S+ 0 0 135 1,-0.3 3,-0.1 2,-0.1 -5,-0.1 0.690 113.4 31.1 -55.9 -24.2 39.2 61.6 51.2 83 82 A I T 3 S+ 0 0 9 -3,-0.3 3,-0.4 1,-0.1 -11,-0.3 -0.347 80.3 127.5-129.2 51.6 41.4 59.3 53.3 84 83 A A S < S+ 0 0 30 -3,-1.4 -12,-1.5 1,-0.2 -2,-0.1 0.815 76.1 40.8 -81.8 -33.5 44.0 58.2 50.8 85 84 A G S S+ 0 0 72 -14,-0.3 -1,-0.2 -4,-0.2 -14,-0.1 0.286 92.6 121.1 -96.4 9.9 47.2 59.1 52.7 86 85 A C S S- 0 0 22 -3,-0.4 -15,-1.8 -16,-0.1 2,-0.4 -0.317 70.9-109.2 -79.3 152.8 45.9 57.8 56.1 87 86 A N E -CD 70 117A 76 30,-0.8 30,-2.7 -17,-0.2 2,-0.3 -0.687 49.9-167.3 -71.0 129.3 47.4 55.2 58.4 88 87 A F E -CD 69 116A 19 -19,-2.3 -19,-1.0 -2,-0.4 2,-0.4 -0.933 26.1-162.5-132.1 148.8 44.9 52.2 58.2 89 88 A E E +CD 68 115A 39 26,-2.8 26,-2.8 -2,-0.3 2,-0.4 -0.999 12.3 179.7-124.1 132.0 44.1 48.9 59.8 90 89 A A E +CD 67 114A 24 -23,-2.4 -23,-3.8 -2,-0.4 2,-0.3 -1.000 7.4 169.3-132.6 131.2 42.0 46.3 58.1 91 90 A X E +CD 66 113A 7 22,-2.3 22,-2.5 -2,-0.4 2,-0.3 -0.998 9.1 132.3-145.6 144.5 41.1 43.0 59.7 92 91 A G E -CD 65 112A 2 -27,-2.4 -27,-2.0 -2,-0.3 2,-0.4 -0.995 44.8-111.1-174.3 169.1 38.8 40.1 58.9 93 92 A V E -CD 64 111A 3 18,-2.7 18,-2.0 -2,-0.3 2,-0.4 -0.967 30.9-176.5-113.4 136.9 37.9 36.5 58.4 94 93 A S E +CD 63 110A 39 -31,-1.8 -31,-2.9 -2,-0.4 2,-0.3 -1.000 4.9 175.5-131.9 135.6 37.2 35.1 54.9 95 94 A L E +CD 62 109A 2 14,-2.9 14,-2.1 -2,-0.4 2,-0.4 -0.998 17.6 179.7-142.6 147.9 36.0 31.6 54.0 96 95 A V E -CD 61 108A 6 -35,-1.5 -35,-1.9 -2,-0.3 2,-0.5 -0.976 14.8-161.8-139.7 126.6 35.0 29.6 51.0 97 96 A I E -CD 60 107A 1 10,-2.9 10,-1.5 -2,-0.4 -37,-0.2 -0.959 5.3-171.6-118.5 118.5 34.0 25.9 51.5 98 97 A H E -C 59 0A 0 -39,-3.1 -39,-1.9 -2,-0.5 -40,-1.0 -0.875 17.3-151.1-110.2 97.3 34.0 23.6 48.4 99 98 A P E -C 57 0A 0 0, 0.0 -42,-0.3 0, 0.0 -43,-0.1 -0.252 17.0-131.6 -67.9 156.7 32.5 20.2 49.4 100 99 A K S S+ 0 0 43 -44,-2.5 -43,-0.1 3,-0.0 -44,-0.1 0.924 93.2 71.2 -68.0 -46.8 33.4 17.0 47.7 101 100 A N S > S- 0 0 7 -45,-0.5 3,-1.8 1,-0.1 -43,-0.1 -0.569 77.3-144.5 -76.4 124.7 29.8 16.0 47.3 102 101 A P T 3 S+ 0 0 0 0, 0.0 35,-0.9 0, 0.0 34,-0.6 0.799 98.8 66.8 -56.5 -27.0 27.9 18.1 44.7 103 102 A H T 3 S+ 0 0 29 122,-0.2 120,-0.1 119,-0.2 121,-0.1 0.584 87.0 74.7 -76.7 -11.0 24.8 17.9 47.0 104 103 A V S < S- 0 0 0 -3,-1.8 115,-0.1 119,-0.1 34,-0.1 -0.909 91.0-126.3 -93.8 124.8 26.6 20.0 49.7 105 104 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.311 16.2-112.1 -64.9 153.1 26.6 23.6 48.4 106 105 A T E - E 0 134A 0 28,-2.8 28,-3.3 -8,-0.1 2,-0.3 -0.594 43.6-166.3 -67.8 146.7 29.7 25.7 48.2 107 106 A S E -DE 97 133A 0 -10,-1.5 -10,-2.9 -2,-0.2 2,-0.3 -0.978 13.9-165.4-138.8 157.9 29.5 28.5 50.8 108 107 A H E +DE 96 132A 34 24,-1.6 24,-1.9 -2,-0.3 2,-0.3 -0.993 7.2 176.4-139.1 144.4 31.2 31.7 51.6 109 108 A A E -DE 95 131A 9 -14,-2.1 -14,-2.9 -2,-0.3 2,-0.3 -0.992 3.0-178.3-147.3 159.4 31.4 34.1 54.5 110 109 A N E +DE 94 130A 23 20,-2.6 20,-2.6 -2,-0.3 2,-0.3 -0.982 9.4 178.6-152.9 132.9 33.2 37.2 55.5 111 110 A V E +DE 93 129A 5 -18,-2.0 -18,-2.7 -2,-0.3 2,-0.3 -0.977 25.2 158.8-132.2 134.4 33.5 39.5 58.6 112 111 A R E -DE 92 128A 70 16,-2.4 16,-1.7 -2,-0.3 2,-0.4 -0.967 27.3-153.1-152.6 163.3 35.8 42.5 58.4 113 112 A L E -DE 91 127A 3 -22,-2.5 -22,-2.3 -2,-0.3 2,-0.4 -0.987 4.7-163.8-146.3 129.3 36.6 45.9 59.9 114 113 A F E -DE 90 126A 27 12,-2.8 12,-2.2 -2,-0.4 2,-0.4 -0.958 9.3-178.2-115.9 131.6 38.4 48.9 58.3 115 114 A V E -DE 89 125A 14 -26,-2.8 -26,-2.8 -2,-0.4 2,-0.5 -0.993 6.5-166.5-132.3 121.0 39.7 51.6 60.6 116 115 A A E -DE 88 124A 0 8,-3.9 8,-2.3 -2,-0.4 2,-0.5 -0.957 15.4-141.2-114.2 119.8 41.4 54.8 59.1 117 116 A E E -D 87 0A 124 -30,-2.7 -30,-0.8 -2,-0.5 2,-0.3 -0.648 22.9-153.5 -81.9 121.3 43.4 57.0 61.6 118 117 A R - 0 0 92 -2,-0.5 2,-0.9 3,-0.5 -35,-0.0 -0.728 20.6-114.0-104.8 145.8 42.9 60.7 60.7 119 118 A E S S- 0 0 179 -2,-0.3 2,-0.5 1,-0.2 3,-0.1 -0.672 100.6 -18.9 -73.3 104.1 45.0 63.8 61.3 120 119 A G S S+ 0 0 76 -2,-0.9 -1,-0.2 1,-0.2 2,-0.1 -0.215 120.4 92.9 93.4 -42.6 42.9 65.8 63.8 121 120 A K S S- 0 0 126 -2,-0.5 -3,-0.5 1,-0.1 -1,-0.2 -0.473 87.7 -97.2 -82.2 153.6 39.6 64.1 63.1 122 121 A E - 0 0 143 -2,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.334 62.7 -80.2 -61.2 154.6 38.2 61.1 65.1 123 122 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.279 38.5-132.0 -69.9 146.2 39.0 57.9 63.2 124 123 A V E +E 116 0A 28 -8,-2.3 -8,-3.9 -3,-0.1 2,-0.3 -0.765 38.3 160.0 -91.1 143.2 36.9 56.8 60.2 125 124 A W E +E 115 0A 42 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.993 18.8 177.9-159.3 155.2 35.8 53.2 60.2 126 125 A W E -E 114 0A 21 -12,-2.2 -12,-2.8 -2,-0.3 67,-0.2 -0.965 18.7-136.4-158.7 151.6 33.3 50.6 58.9 127 126 A F E +EF 113 192A 2 65,-2.4 65,-2.1 -2,-0.3 64,-0.4 -0.495 24.6 176.4 -94.2 174.4 32.5 46.9 59.1 128 127 A G E +E 112 0A 0 -16,-1.7 -16,-2.4 62,-0.2 2,-0.3 -0.960 19.0 91.6-168.6 162.2 31.6 44.7 56.2 129 128 A G E +EF 111 189A 2 60,-2.6 60,-2.3 -2,-0.3 2,-0.3 -0.991 23.3 177.0 149.4-149.9 30.8 41.1 55.4 130 129 A G E -EF 110 188A 3 -20,-2.6 -20,-2.6 -2,-0.3 2,-0.3 -0.886 26.2-108.6 142.0-177.3 28.0 38.5 55.0 131 130 A F E -EF 109 187A 0 56,-0.9 56,-2.7 -2,-0.3 2,-0.3 -0.968 26.8-178.7-148.3 161.6 27.5 35.0 54.0 132 131 A D E -EF 108 186A 4 -24,-1.9 -24,-1.6 -2,-0.3 2,-0.4 -0.960 20.9-124.5-156.1 164.4 25.9 33.3 51.0 133 132 A L E -EF 107 185A 1 52,-1.3 51,-2.8 -2,-0.3 52,-0.5 -0.974 11.7-170.5-127.7 129.3 25.1 29.8 49.6 134 133 A T E -E 106 0A 7 -28,-3.3 -28,-2.8 -2,-0.4 49,-0.1 -0.785 18.1-175.1-121.1 82.6 26.1 28.4 46.3 135 134 A P - 0 0 4 0, 0.0 3,-0.2 0, 0.0 -32,-0.1 -0.314 20.3-170.5 -70.3 158.5 24.2 25.1 45.7 136 135 A Y S S+ 0 0 2 -34,-0.6 2,-0.8 1,-0.3 155,-0.2 0.674 94.1 20.2-110.1 -59.8 24.8 22.8 42.8 137 136 A Y S S- 0 0 17 -35,-0.9 -1,-0.3 153,-0.1 151,-0.1 -0.905 99.1-156.8-107.0 95.0 21.8 20.5 43.4 138 137 A A - 0 0 18 -2,-0.8 2,-0.3 149,-0.2 153,-0.0 -0.076 12.2-148.9 -67.5 165.8 19.8 22.8 45.6 139 138 A V >> - 0 0 37 1,-0.1 4,-1.9 156,-0.0 3,-1.1 -0.937 11.8-141.7-140.2 119.6 17.1 21.8 48.1 140 139 A E H 3> S+ 0 0 28 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.868 102.3 52.3 -40.6 -53.4 14.1 24.2 48.7 141 140 A E H 3> S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.808 109.2 51.1 -60.5 -33.6 14.0 23.4 52.5 142 141 A D H <> S+ 0 0 5 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.907 109.1 48.7 -69.3 -48.9 17.8 24.2 52.8 143 142 A C H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.920 112.8 48.9 -55.6 -49.3 17.5 27.6 51.0 144 143 A R H X S+ 0 0 127 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.934 113.1 46.7 -56.9 -50.2 14.6 28.6 53.2 145 144 A D H X S+ 0 0 61 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.869 110.5 54.0 -60.2 -40.9 16.4 27.6 56.4 146 145 A F H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 3,-0.2 0.956 114.1 39.9 -57.9 -54.1 19.6 29.4 55.2 147 146 A H H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.862 109.9 59.4 -67.3 -36.1 17.7 32.6 54.7 148 147 A Q H X S+ 0 0 99 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.864 104.1 52.0 -60.4 -38.0 15.6 32.2 57.9 149 148 A V H X S+ 0 0 34 -4,-1.9 4,-2.5 -3,-0.2 -1,-0.2 0.934 110.3 48.9 -63.4 -44.0 18.8 32.1 59.9 150 149 A A H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.930 113.4 45.2 -60.1 -50.4 19.9 35.4 58.3 151 150 A Q H X S+ 0 0 57 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.894 113.0 51.2 -61.0 -42.1 16.5 37.1 58.9 152 151 A D H < S+ 0 0 78 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.918 109.8 48.5 -63.7 -46.0 16.4 35.8 62.5 153 152 A L H < S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.774 112.9 50.2 -65.9 -24.6 19.9 37.1 63.3 154 153 A C H >X S+ 0 0 1 -4,-1.3 3,-2.5 -5,-0.2 4,-0.6 0.793 88.0 85.1 -81.4 -32.3 19.0 40.5 61.8 155 154 A K G >< S+ 0 0 120 -4,-1.7 3,-0.8 1,-0.3 -1,-0.2 0.779 84.6 54.1 -40.8 -48.1 15.8 40.9 63.8 156 155 A P G 34 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.646 106.1 54.3 -65.8 -13.9 17.4 42.4 66.9 157 156 A F G <4 S- 0 0 27 -3,-2.5 2,-0.2 1,-0.4 -2,-0.2 0.582 124.8 -44.8-100.1 -11.2 19.2 45.2 64.9 158 157 A G << - 0 0 27 -3,-0.8 3,-0.4 -4,-0.6 -1,-0.4 -0.695 49.1-103.7 152.0 154.9 16.2 46.7 63.1 159 158 A A S S+ 0 0 113 -2,-0.2 4,-0.3 1,-0.2 3,-0.2 0.768 118.6 42.7 -71.5 -29.3 13.1 45.7 61.1 160 159 A D S > S+ 0 0 89 1,-0.1 4,-2.5 2,-0.1 5,-0.2 0.480 86.4 96.4 -97.4 -3.2 14.6 46.5 57.7 161 160 A V H > S+ 0 0 0 -3,-0.4 4,-2.1 1,-0.2 5,-0.2 0.873 86.5 42.9 -57.9 -47.7 18.1 45.1 58.3 162 161 A Y H > S+ 0 0 19 -4,-0.4 4,-3.5 2,-0.2 5,-0.3 0.968 113.9 50.6 -64.2 -54.5 17.5 41.7 56.7 163 162 A A H > S+ 0 0 62 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.923 113.4 45.9 -46.2 -55.3 15.6 43.1 53.7 164 163 A R H X S+ 0 0 91 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.925 120.0 37.4 -56.7 -52.5 18.4 45.6 52.9 165 164 A F H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 23,-0.9 0.766 115.2 53.7 -80.2 -26.3 21.3 43.2 53.3 166 165 A K H X S+ 0 0 25 -4,-3.5 4,-1.9 -5,-0.2 20,-0.3 0.928 112.2 45.4 -66.3 -47.9 19.6 40.3 51.7 167 166 A G H X S+ 0 0 22 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.854 111.0 53.8 -59.6 -36.4 18.8 42.4 48.7 168 167 A W H X S+ 0 0 79 -4,-1.6 4,-3.0 20,-0.2 5,-0.2 0.918 105.3 53.6 -69.5 -41.2 22.4 43.7 48.7 169 168 A C H X S+ 0 0 0 -4,-1.9 4,-2.2 19,-0.3 -1,-0.2 0.920 108.6 49.9 -57.0 -44.1 23.6 40.1 48.6 170 169 A D H < S+ 0 0 25 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.876 113.9 44.7 -63.5 -39.8 21.4 39.5 45.5 171 170 A E H < S+ 0 0 152 -4,-2.1 3,-0.3 1,-0.1 -2,-0.2 0.913 117.2 44.9 -69.7 -42.9 22.7 42.6 43.7 172 171 A Y H < S+ 0 0 27 -4,-3.0 2,-2.0 1,-0.2 -2,-0.2 0.966 106.2 56.1 -68.9 -55.7 26.4 41.9 44.6 173 172 A F S < S+ 0 0 10 -4,-2.2 9,-2.0 -5,-0.2 10,-0.5 -0.453 85.7 114.3 -83.7 72.2 26.7 38.2 43.9 174 173 A F E -G 181 0B 50 -2,-2.0 7,-0.3 -3,-0.3 5,-0.0 -0.990 61.1-140.9-142.9 136.9 25.5 38.4 40.2 175 174 A I E > > -G 180 0B 1 5,-3.8 5,-1.9 -2,-0.3 3,-0.7 -0.873 19.6-172.8-102.6 98.1 27.3 37.8 36.9 176 175 A P G > 5S+ 0 0 86 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.830 81.2 54.7 -64.8 -36.6 25.9 40.6 34.6 177 176 A Y G 3 5S+ 0 0 36 1,-0.2 391,-0.3 2,-0.1 -2,-0.0 0.735 119.9 35.3 -69.4 -20.1 27.5 39.4 31.4 178 177 A R G < 5S- 0 0 38 -3,-0.7 -1,-0.2 2,-0.2 3,-0.1 0.324 103.1-132.2-106.6 3.0 25.8 36.0 32.0 179 178 A N T < 5 + 0 0 130 -3,-0.6 2,-0.3 -4,-0.4 -2,-0.1 0.921 66.1 125.1 42.5 56.0 22.6 37.5 33.6 180 179 A E E < -G 175 0B 30 -5,-1.9 -5,-3.8 117,-0.0 -2,-0.2 -0.997 61.8-125.9-150.1 134.2 23.0 35.0 36.4 181 180 A A E -G 174 0B 8 -2,-0.3 -7,-0.3 -7,-0.3 115,-0.1 -0.425 18.2-136.8 -72.5 154.6 23.3 34.9 40.1 182 181 A R S S- 0 0 8 -9,-2.0 2,-0.2 -12,-0.1 -8,-0.1 0.880 77.3 -20.6 -79.3 -42.9 26.2 33.1 41.7 183 182 A G S S- 0 0 9 -10,-0.5 -49,-0.3 -49,-0.1 3,-0.1 -0.651 83.2 -73.6-143.4-157.6 24.2 31.4 44.4 184 183 A I S S- 0 0 5 -51,-2.8 -50,-0.1 1,-0.3 -14,-0.1 0.285 73.6-125.8 -97.0 11.0 20.9 31.7 46.3 185 184 A G E +F 133 0A 5 -52,-0.5 -52,-1.3 -16,-0.1 -1,-0.3 -0.336 35.6 178.6 87.2-161.3 22.1 34.6 48.4 186 185 A G E -F 132 0A 0 -20,-0.3 2,-0.4 -54,-0.2 -17,-0.2 -0.847 54.9 -21.8 157.2-124.5 22.2 35.4 52.1 187 186 A L E +F 131 0A 1 -56,-2.7 -56,-0.9 -2,-0.3 2,-0.3 -0.931 51.9 172.0-121.1 147.2 23.6 38.5 53.7 188 187 A F E +F 130 0A 17 -23,-0.9 2,-0.3 -2,-0.4 -19,-0.3 -0.932 8.3 156.1-150.9 135.3 25.9 41.2 52.3 189 188 A F E +F 129 0A 0 -60,-2.3 -60,-2.6 -2,-0.3 2,-0.3 -0.991 10.1 176.9-154.6 157.7 26.9 44.6 53.7 190 189 A D E + 0 0 17 -2,-0.3 -62,-0.2 -62,-0.2 3,-0.2 -0.966 65.5 32.1-156.8 162.7 29.7 47.1 53.5 191 190 A D E S+ 0 0 64 -64,-0.4 2,-0.8 -2,-0.3 3,-0.2 0.829 73.7 175.3 51.4 36.8 30.5 50.6 54.9 192 191 A L E +F 127 0A 6 -65,-2.1 -65,-2.4 1,-0.2 -1,-0.2 -0.650 32.7 110.7 -75.4 107.5 28.5 49.6 58.0 193 192 A N + 0 0 70 -2,-0.8 -1,-0.2 -67,-0.2 4,-0.1 0.241 33.9 106.2-157.5 14.4 28.8 52.4 60.5 194 193 A E S S+ 0 0 109 -3,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.816 80.4 60.1 -66.8 -30.2 25.3 54.1 60.7 195 194 A W S S- 0 0 30 1,-0.2 5,-0.1 2,-0.1 0, 0.0 -0.556 108.6 -81.4 -90.0 161.7 24.9 52.5 64.2 196 195 A P > - 0 0 96 0, 0.0 4,-1.8 0, 0.0 3,-0.2 -0.215 50.4-103.3 -56.7 157.3 27.2 53.1 67.2 197 196 A F H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.866 119.1 52.8 -56.8 -42.3 30.4 51.0 67.0 198 197 A E H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.911 107.7 50.5 -63.3 -43.5 29.2 48.4 69.6 199 198 A K H > S+ 0 0 78 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.882 111.3 49.0 -60.8 -39.2 25.9 47.7 67.8 200 199 A C H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.915 111.7 49.6 -63.8 -43.5 27.7 47.1 64.5 201 200 A F H X S+ 0 0 15 -4,-2.1 4,-2.3 1,-0.2 3,-0.2 0.946 109.2 50.4 -63.4 -51.4 30.2 44.8 66.2 202 201 A E H X S+ 0 0 98 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.871 108.9 55.4 -51.0 -39.1 27.4 42.8 67.9 203 202 A F H X S+ 0 0 0 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.906 107.4 46.5 -62.5 -43.0 25.9 42.6 64.4 204 203 A V H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.817 109.3 55.3 -73.4 -28.0 29.0 41.1 62.8 205 204 A Q H X S+ 0 0 55 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.953 109.0 48.0 -62.8 -47.0 29.2 38.6 65.8 206 205 A A H X S+ 0 0 24 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.813 111.3 50.4 -60.8 -35.0 25.7 37.5 64.9 207 206 A V H X S+ 0 0 2 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.890 111.4 48.7 -70.4 -37.8 26.7 37.2 61.3 208 207 A G H X S+ 0 0 4 -4,-2.3 4,-1.1 2,-0.2 3,-0.3 0.962 118.0 38.5 -66.3 -52.8 29.7 35.1 62.3 209 208 A K H X S+ 0 0 126 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.851 111.6 62.8 -60.1 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