==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-MAR-04 1VJU . COMPND 2 MOLECULE: COPROPORPHYRINOGEN III OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR STRUCTURAL GENOMICS OF PATHOGENIC PROTOZOA CONSORTIUM (SGPP) . 586 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 429 73.2 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 . 136 23.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 35.8 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 0 1 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 0 0 0 3 1 0 2 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 8 A H 0 0 117 0, 0.0 3,-0.1 0, 0.0 106,-0.0 0.000 360.0 360.0 360.0 167.0 95.5 55.7 69.3 2 9 A X > + 0 0 35 1,-0.1 4,-2.6 2,-0.1 5,-0.2 -0.320 360.0 145.3-129.5 43.0 93.1 52.8 69.9 3 10 A S H > + 0 0 85 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.862 68.1 45.7 -58.0 -47.4 95.8 50.4 71.0 4 11 A L H > S+ 0 0 151 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 112.6 50.8 -71.6 -38.0 93.9 48.5 73.6 5 12 A A H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.931 110.5 50.5 -60.5 -45.3 90.8 48.0 71.4 6 13 A V H X S+ 0 0 3 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.899 107.0 53.5 -58.9 -43.4 93.0 46.8 68.6 7 14 A E H X S+ 0 0 81 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.918 108.4 50.5 -61.5 -39.2 94.7 44.2 70.9 8 15 A A H X S+ 0 0 43 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.897 110.8 48.7 -63.8 -40.8 91.2 42.9 71.9 9 16 A V H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.925 111.0 51.0 -63.8 -43.4 90.3 42.5 68.2 10 17 A K H X S+ 0 0 29 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.929 108.9 49.9 -58.9 -47.1 93.6 40.8 67.5 11 18 A D H X S+ 0 0 101 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.910 111.2 50.6 -59.7 -42.0 93.0 38.3 70.3 12 19 A F H X S+ 0 0 32 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.940 110.8 48.7 -55.9 -49.7 89.5 37.6 69.0 13 20 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.897 110.7 48.7 -62.3 -40.1 90.8 37.0 65.5 14 21 A L H X S+ 0 0 34 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.915 114.0 47.1 -69.4 -38.9 93.6 34.6 66.6 15 22 A K H X S+ 0 0 123 -4,-2.1 4,-3.0 -5,-0.3 5,-0.2 0.878 110.1 54.0 -65.7 -37.9 91.1 32.7 68.8 16 23 A L H X S+ 0 0 9 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.934 106.8 50.9 -62.5 -44.6 88.6 32.6 65.9 17 24 A Q H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.923 112.7 46.3 -57.1 -48.3 91.2 31.1 63.6 18 25 A D H X S+ 0 0 75 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.921 113.9 48.1 -59.3 -46.3 92.0 28.4 66.2 19 26 A D H X S+ 0 0 50 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.890 112.8 46.5 -64.9 -41.3 88.3 27.7 66.7 20 27 A I H X S+ 0 0 3 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.958 113.3 49.0 -66.3 -45.0 87.4 27.5 63.1 21 28 A C H X S+ 0 0 4 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.925 111.1 50.6 -60.1 -45.6 90.4 25.3 62.3 22 29 A E H X S+ 0 0 127 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.923 110.8 49.6 -59.0 -44.5 89.5 23.0 65.3 23 30 A A H X S+ 0 0 25 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.932 113.5 44.5 -58.3 -47.3 85.9 22.7 64.0 24 31 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.897 110.7 53.6 -65.3 -38.9 86.9 21.9 60.5 25 32 A E H X S+ 0 0 58 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.886 106.5 54.5 -64.8 -36.6 89.5 19.4 61.6 26 33 A A H < S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.843 109.6 47.0 -66.4 -34.8 86.9 17.7 63.7 27 34 A E H < S+ 0 0 27 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.837 114.5 46.5 -71.8 -35.8 84.6 17.3 60.6 28 35 A D H < S- 0 0 9 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.971 77.7-171.9 -67.6 -57.2 87.4 16.0 58.5 29 36 A G S < S+ 0 0 68 -4,-2.6 -1,-0.1 2,-0.3 -3,-0.1 0.218 71.2 54.9 83.3 -11.1 88.8 13.5 60.9 30 37 A Q S S+ 0 0 136 1,-0.2 2,-0.2 -5,-0.1 -1,-0.1 0.750 98.5 45.2-116.6 -55.1 91.9 12.7 58.8 31 38 A A - 0 0 18 -6,-0.1 2,-0.3 26,-0.1 -2,-0.3 -0.539 62.6-152.8-102.0 161.4 93.9 15.8 57.9 32 39 A T - 0 0 88 -2,-0.2 20,-0.3 20,-0.1 2,-0.2 -0.906 27.5 -97.8-127.7 157.5 95.0 18.7 60.0 33 40 A F - 0 0 20 -2,-0.3 2,-0.4 18,-0.1 18,-0.2 -0.545 32.3-151.7 -68.5 139.2 95.8 22.3 59.3 34 41 A V E -A 50 0A 85 16,-2.6 16,-2.4 -2,-0.2 2,-0.4 -0.971 13.7-133.9-110.8 133.0 99.5 23.1 58.9 35 42 A E E -A 49 0A 64 -2,-0.4 2,-0.5 14,-0.2 14,-0.2 -0.717 16.7-170.7 -93.7 136.9 100.6 26.7 59.8 36 43 A D E -A 48 0A 76 12,-2.6 12,-2.5 -2,-0.4 2,-0.4 -0.957 14.5-163.2-121.2 103.1 102.9 28.8 57.6 37 44 A K E +A 47 0A 146 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.736 16.2 176.7 -94.2 133.2 103.8 31.9 59.7 38 45 A W E -A 46 0A 42 8,-2.5 8,-2.1 -2,-0.4 2,-0.3 -0.949 16.5-164.7-139.9 153.6 105.2 34.7 57.6 39 46 A T E -A 45 0A 124 -2,-0.3 2,-0.3 6,-0.3 6,-0.3 -0.926 8.2-150.8-134.6 163.2 106.5 38.3 58.0 40 47 A R E >> -A 44 0A 51 4,-2.3 3,-2.1 -2,-0.3 4,-0.5 -0.984 41.2 -91.0-135.1 144.9 107.2 41.2 55.7 41 48 A E T 34 S- 0 0 112 -2,-0.3 4,-0.0 1,-0.3 -2,-0.0 -0.363 104.9 -14.0 -67.5 127.5 109.8 43.9 56.5 42 49 A G T 34 S+ 0 0 80 -2,-0.2 -1,-0.3 1,-0.1 25,-0.0 0.467 124.8 87.9 67.8 3.6 108.2 46.8 58.3 43 50 A G T <4 S- 0 0 15 -3,-2.1 25,-1.4 1,-0.4 2,-0.3 0.290 86.8-121.3-126.2 8.5 104.9 45.4 57.3 44 51 A G E < -AB 40 67A 24 -4,-0.5 -4,-2.3 23,-0.3 -1,-0.4 -0.613 30.3-140.6 85.4-143.2 103.6 42.9 59.9 45 52 A G E -AB 39 66A 10 21,-2.4 21,-3.2 -2,-0.3 2,-0.3 -0.977 8.0-123.3 173.5-155.4 102.8 39.4 58.7 46 53 A G E -AB 38 65A 7 -8,-2.1 -8,-2.5 -2,-0.3 2,-0.4 -0.955 15.4-115.1-164.2 179.0 100.4 36.5 59.2 47 54 A R E -AB 37 64A 94 17,-2.3 17,-2.3 -2,-0.3 2,-0.6 -0.953 28.9-168.3-129.9 106.2 99.6 33.0 60.1 48 55 A T E -AB 36 63A 7 -12,-2.5 -12,-2.6 -2,-0.4 2,-0.5 -0.877 3.6-167.1-101.2 118.9 98.2 31.0 57.1 49 56 A R E -AB 35 62A 43 13,-2.0 13,-2.9 -2,-0.6 2,-0.4 -0.937 10.3-176.0-110.7 129.1 96.8 27.6 58.0 50 57 A V E -AB 34 61A 51 -16,-2.4 -16,-2.6 -2,-0.5 2,-0.4 -0.949 17.2-162.1-132.8 146.8 96.1 25.2 55.3 51 58 A X E - B 0 60A 3 9,-2.7 9,-2.1 -2,-0.4 2,-0.4 -0.947 14.4-177.7-120.1 140.5 94.5 21.7 54.9 52 59 A V E + B 0 59A 95 -2,-0.4 7,-0.2 -20,-0.3 6,-0.2 -0.999 59.1 1.4-142.1 139.5 95.0 19.5 51.8 53 60 A D S S+ 0 0 113 5,-2.2 5,-0.2 -2,-0.4 -1,-0.1 0.839 79.6 161.7 61.0 42.2 93.8 16.1 50.8 54 61 A G - 0 0 6 3,-2.6 -1,-0.1 1,-0.1 -25,-0.1 -0.201 57.0-104.3 -77.3 177.0 91.6 15.5 53.8 55 62 A A S S+ 0 0 49 -27,-0.1 3,-0.1 1,-0.1 -1,-0.1 0.748 120.1 8.7 -66.5 -24.1 88.7 13.0 54.0 56 63 A V S S+ 0 0 13 1,-0.3 34,-2.7 34,-0.1 2,-0.7 0.665 125.1 60.1-126.8 -45.2 86.3 15.9 53.7 57 64 A I E + C 0 89A 3 32,-0.3 -3,-2.6 1,-0.2 -1,-0.3 -0.863 50.3 177.7-101.4 107.7 88.4 19.1 52.9 58 65 A E E S+ 0 0 44 30,-1.3 -5,-2.2 -2,-0.7 2,-0.3 0.858 80.2 3.8 -74.6 -41.4 90.3 18.8 49.7 59 66 A K E S+BC 52 88A 55 29,-2.0 29,-3.0 -7,-0.2 2,-0.4 -0.934 76.6 161.7-147.5 116.4 91.7 22.3 49.9 60 67 A G E -BC 51 87A 5 -9,-2.1 -9,-2.7 -2,-0.3 2,-0.4 -1.000 11.5-175.5-141.1 142.8 91.1 24.6 52.8 61 68 A G E -BC 50 86A 0 25,-2.0 25,-1.7 -2,-0.4 2,-0.4 -0.999 9.1-175.6-140.7 135.7 92.8 27.8 54.1 62 69 A V E -BC 49 85A 0 -13,-2.9 -13,-2.0 -2,-0.4 2,-0.4 -0.932 20.6-168.0-130.1 106.4 92.2 29.9 57.2 63 70 A N E -BC 48 84A 7 21,-3.4 21,-1.9 -2,-0.4 2,-0.4 -0.794 15.1-169.3-102.7 135.5 94.4 33.0 57.1 64 71 A F E +BC 47 83A 14 -17,-2.3 -17,-2.3 -2,-0.4 2,-0.4 -0.970 17.3 177.4-111.2 137.0 95.1 35.5 59.9 65 72 A S E -BC 46 82A 39 17,-2.4 17,-2.2 -2,-0.4 2,-0.3 -0.996 20.9-177.9-137.4 147.8 97.0 38.6 58.9 66 73 A H E -BC 45 81A 17 -21,-3.2 -21,-2.4 -2,-0.4 2,-0.3 -0.796 20.1-179.0-143.4 101.6 98.1 41.7 60.7 67 74 A V E -BC 44 80A 46 13,-2.7 13,-2.4 -2,-0.3 2,-0.4 -0.763 11.7-162.5-108.0 143.1 99.8 44.2 58.3 68 75 A Y E + C 0 79A 99 -25,-1.4 2,-0.3 -2,-0.3 11,-0.2 -0.948 15.3 172.1-120.0 147.7 101.3 47.6 59.1 69 76 A G E - C 0 78A 18 9,-2.2 9,-2.6 -2,-0.4 2,-0.5 -0.985 34.7-138.8-151.7 161.6 102.0 50.3 56.6 70 77 A K E C 0 77A 185 -2,-0.3 7,-0.3 7,-0.2 6,-0.1 -0.963 360.0 360.0-119.4 101.5 103.2 53.9 56.2 71 78 A G 0 0 53 5,-2.4 4,-0.2 -2,-0.5 7,-0.2 0.106 360.0 360.0 85.2 360.0 100.9 55.2 53.4 72 ! 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 73 90 A I > 0 0 117 0, 0.0 3,-2.1 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 7.2 94.3 58.8 54.3 74 91 A A T 3 + 0 0 91 1,-0.3 -4,-0.0 -3,-0.1 0, 0.0 0.770 360.0 39.9 -63.7 -26.1 96.8 58.1 51.6 75 92 A G T 3 S+ 0 0 71 -4,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.374 93.3 118.0 -97.8 6.8 99.8 59.2 53.8 76 93 A C < - 0 0 21 -3,-2.1 -5,-2.4 -6,-0.1 2,-0.2 -0.395 68.0-117.8 -84.0 148.2 98.6 57.6 57.0 77 94 A N E -C 70 0A 64 30,-0.4 30,-2.2 -7,-0.3 2,-0.3 -0.602 47.7-180.0 -67.1 139.1 100.2 55.0 59.2 78 95 A F E -CD 69 106A 50 -9,-2.6 -9,-2.2 -2,-0.2 2,-0.3 -0.963 28.1-156.3-143.6 163.8 97.7 52.1 59.2 79 96 A E E -CD 68 105A 43 26,-2.3 26,-2.6 -2,-0.3 2,-0.4 -0.987 11.0-172.8-134.0 142.4 97.2 48.6 60.6 80 97 A A E +CD 67 104A 30 -13,-2.4 -13,-2.7 -2,-0.3 2,-0.4 -0.999 8.3 174.2-136.7 133.8 94.9 46.1 59.0 81 98 A X E +CD 66 103A 5 22,-2.7 22,-2.7 -2,-0.4 2,-0.3 -0.995 11.7 133.3-141.4 146.6 94.0 42.7 60.7 82 99 A G E -CD 65 102A 6 -17,-2.2 -17,-2.4 -2,-0.4 2,-0.4 -0.996 44.6-116.8-175.2 171.1 91.7 40.0 59.8 83 100 A V E +CD 64 101A 3 18,-2.5 18,-2.3 -2,-0.3 2,-0.4 -0.986 31.6 175.8-120.0 131.7 90.8 36.3 59.3 84 101 A S E +CD 63 100A 35 -21,-1.9 -21,-3.4 -2,-0.4 2,-0.3 -0.993 4.9 175.6-134.1 143.9 89.8 35.2 55.8 85 102 A L E -CD 62 99A 1 14,-2.5 14,-1.9 -2,-0.4 2,-0.3 -0.992 18.5-170.1-149.7 150.5 89.1 31.6 54.8 86 103 A V E -CD 61 98A 7 -25,-1.7 -25,-2.0 -2,-0.3 2,-0.5 -0.964 11.3-161.9-139.3 131.2 87.9 29.5 51.8 87 104 A I E -CD 60 97A 0 10,-2.3 10,-1.7 -2,-0.3 -27,-0.2 -0.966 5.0-171.7-118.0 125.0 87.0 25.8 52.1 88 105 A H E -C 59 0A 0 -29,-3.0 -29,-2.0 -2,-0.5 -30,-1.3 -0.930 18.0-151.9-114.0 97.7 86.8 23.6 49.0 89 106 A P E -C 57 0A 1 0, 0.0 -32,-0.3 0, 0.0 7,-0.1 -0.325 16.1-133.5 -67.3 157.7 85.4 20.1 50.0 90 107 A K S S+ 0 0 49 -34,-2.7 -33,-0.1 -2,-0.1 -34,-0.1 0.924 90.2 71.2 -71.3 -45.7 86.2 16.9 48.2 91 108 A N S > S- 0 0 10 -35,-0.5 3,-2.3 1,-0.2 -33,-0.0 -0.637 77.7-142.4 -79.5 124.5 82.6 15.8 47.9 92 109 A P T 3 S+ 0 0 0 0, 0.0 35,-1.0 0, 0.0 34,-0.5 0.690 97.6 67.5 -55.9 -20.1 80.5 17.9 45.4 93 110 A H T 3 S+ 0 0 28 122,-0.2 121,-0.1 119,-0.2 120,-0.1 0.505 87.2 75.3 -85.4 -2.1 77.5 17.7 47.7 94 111 A V S < S- 0 0 0 -3,-2.3 115,-0.1 119,-0.1 34,-0.1 -0.950 87.8-127.5-100.2 123.4 79.3 19.8 50.4 95 112 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.260 15.3-113.3 -63.9 154.1 79.3 23.5 49.3 96 113 A T E - E 0 124A 0 28,-2.3 28,-3.1 -8,-0.1 2,-0.3 -0.498 40.1-166.1 -68.1 151.1 82.4 25.6 49.1 97 114 A S E -DE 87 123A 0 -10,-1.7 -10,-2.3 26,-0.2 2,-0.3 -0.972 15.4-166.6-141.8 163.2 82.3 28.4 51.6 98 115 A H E +DE 86 122A 31 24,-1.9 24,-2.2 -2,-0.3 2,-0.3 -0.992 8.8 174.0-144.9 145.8 84.2 31.7 52.4 99 116 A A E +DE 85 121A 8 -14,-1.9 -14,-2.5 -2,-0.3 2,-0.3 -0.993 2.2 178.6-148.4 157.2 84.2 33.9 55.4 100 117 A N E -DE 84 120A 32 20,-2.5 20,-2.4 -2,-0.3 2,-0.3 -0.970 9.3-178.8-153.6 143.9 86.2 37.1 56.5 101 118 A V E +DE 83 119A 3 -18,-2.3 -18,-2.5 -2,-0.3 2,-0.3 -0.966 23.1 161.7-139.6 136.4 86.3 39.4 59.4 102 119 A R E -DE 82 118A 74 16,-2.4 16,-2.2 -2,-0.3 2,-0.4 -0.978 27.2-153.0-153.8 157.9 88.6 42.4 59.5 103 120 A L E -DE 81 117A 3 -22,-2.7 -22,-2.7 -2,-0.3 2,-0.4 -0.993 8.2-165.1-135.2 138.4 89.5 45.8 61.0 104 121 A F E -DE 80 116A 36 12,-2.4 12,-2.2 -2,-0.4 2,-0.4 -0.980 7.8-178.0-118.9 132.0 91.3 48.7 59.4 105 122 A V E -DE 79 115A 13 -26,-2.6 -26,-2.3 -2,-0.4 2,-0.5 -0.995 5.0-170.9-134.7 129.0 92.7 51.6 61.5 106 123 A A E -DE 78 114A 1 8,-3.0 8,-2.8 -2,-0.4 2,-0.3 -0.987 17.6-139.1-121.0 127.7 94.5 54.6 60.1 107 124 A E E - 0 0 116 -30,-2.2 -30,-0.4 -2,-0.5 2,-0.4 -0.647 21.0-152.1 -82.7 140.3 96.2 57.1 62.5 108 125 A R E > - E 0 111A 89 3,-0.5 3,-1.7 -2,-0.3 2,-0.3 -0.964 18.7-114.3-129.1 135.8 95.8 60.7 61.5 109 126 A E T 3 S- 0 0 177 -2,-0.4 3,-0.1 1,-0.3 -33,-0.0 -0.471 102.8 -1.1 -64.5 119.9 98.0 63.7 62.2 110 127 A G T 3 S+ 0 0 70 -2,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.402 123.1 72.3 89.0 -1.6 96.0 66.0 64.5 111 128 A K E < S-E 108 0A 139 -3,-1.7 -3,-0.5 1,-0.0 -1,-0.2 -0.754 85.7 -76.1-144.8 174.8 93.0 63.8 64.8 112 129 A E E - 0 0 151 -2,-0.2 -1,-0.0 1,-0.1 -3,-0.0 -0.515 62.3 -94.4 -76.4 150.5 91.2 60.8 66.0 113 130 A P E - 0 0 18 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.227 31.2-129.8 -60.7 151.2 92.0 57.6 64.2 114 131 A V E +E 106 0A 32 -8,-2.8 -8,-3.0 -3,-0.1 2,-0.3 -0.876 37.9 166.2-100.6 138.5 89.8 56.4 61.3 115 132 A W E +E 105 0A 46 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.994 13.7 171.0-147.3 158.6 88.6 52.8 61.5 116 133 A W E -E 104 0A 57 -12,-2.2 -12,-2.4 -2,-0.3 2,-0.2 -0.954 20.6-134.9-164.6 154.6 86.2 50.4 60.0 117 134 A F E +EF 103 182A 0 65,-2.2 65,-2.6 -2,-0.3 2,-0.3 -0.654 20.8 179.6-103.2 159.6 85.3 46.7 60.0 118 135 A G E +E 102 0A 0 -16,-2.2 -16,-2.4 -2,-0.2 2,-0.3 -0.969 20.6 99.1-150.4 166.3 84.4 44.5 57.1 119 136 A G E +EF 101 179A 2 60,-2.5 60,-2.4 -2,-0.3 2,-0.3 -0.987 19.1 167.2 155.2-162.8 83.5 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-3,-0.4 -3,-0.2 -4,-0.2 -4,-0.1 0.540 72.6 150.3 99.0 4.0 102.5 43.7 47.4 251 268 A G < - 0 0 32 -5,-2.4 2,-0.8 -6,-0.2 -1,-0.2 -0.160 60.2 -86.5 -65.2 167.4 100.4 41.2 49.2 252 269 A R >> - 0 0 70 1,-0.2 4,-2.8 2,-0.1 3,-0.6 -0.611 38.7-152.5 -84.4 107.5 101.5 37.6 49.9 253 270 A T H 3> S+ 0 0 72 -2,-0.8 4,-2.7 1,-0.3 -1,-0.2 0.844 88.8 45.6 -51.8 -50.9 100.5 35.7 46.8 254 271 A E H 34 S+ 0 0 146 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.811 113.9 49.8 -70.0 -29.9 100.0 32.3 48.3 255 272 A S H X4 S+ 0 0 10 -3,-0.6 3,-1.0 2,-0.2 -1,-0.2 0.919 113.7 46.0 -70.3 -42.6 98.0 33.6 51.3 256 273 A I H >< S+ 0 0 40 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.934 110.1 54.0 -65.5 -38.8 95.8 35.6 49.0 257 274 A L G >< + 0 0 32 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.316 68.5 105.4 -92.3 16.7 95.2 32.8 46.5 258 275 A I G < S+ 0 0 14 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.780 72.8 72.6 -56.3 -22.3 94.0 30.2 49.1 259 276 A S G < S+ 0 0 9 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.1 0.724 74.7 99.9 -64.0 -21.8 90.7 31.0 47.4 260 277 A L S < S- 0 0 40 -3,-1.9 -172,-0.1 1,-0.1 -174,-0.0 -0.373 78.5-113.2 -73.1 145.3 91.6 29.2 44.2 261 278 A P - 0 0 18 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.344 16.8-120.1 -76.1 158.3 90.2 25.6 43.8 262 279 A P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.885 98.4 8.6 -64.0 -37.7 92.3 22.6 43.7 263 280 A R + 0 0 158 2,-0.0 2,-0.3 0, 0.0 -34,-0.1 -0.994 69.8 179.1-143.0 140.1 91.1 21.7 40.1 264 281 A A - 0 0 31 -2,-0.3 2,-0.3 -3,-0.1 -37,-0.2 -0.974 10.3-154.5-136.8 152.8 89.1 23.7 37.7 265 282 A R - 0 0 101 -39,-2.2 -35,-0.3 -2,-0.3 2,-0.3 -0.957 5.9-170.8-125.9 151.4 87.9 23.1 34.2 266 283 A W + 0 0 146 -2,-0.3 2,-0.3 -36,-0.1 -39,-0.1 -0.982 6.2 177.0-136.8 144.9 86.9 25.4 31.3 267 284 A G > - 0 0 41 -2,-0.3 3,-2.1 -40,-0.1 2,-0.3 -0.994 41.2 -93.2-145.8 148.4 85.2 24.6 28.0 268 285 A Y T 3 S- 0 0 209 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.428 109.6 -11.2 -64.9 121.1 84.1 26.7 25.1 269 286 A N T 3 S+ 0 0 126 -2,-0.3 -1,-0.3 1,-0.2 2,-0.0 0.739 93.2 177.0 62.7 24.0 80.4 27.5 25.6 270 287 A W < + 0 0 47 -3,-2.1 -1,-0.2 -43,-0.0 -3,-0.1 -0.378 5.4 161.0 -58.9 133.4 80.3 24.9 28.4 271 288 A Q - 0 0 121 -3,-0.1 8,-0.1 -2,-0.0 -44,-0.0 -0.979 43.9 -95.2-146.6 155.4 76.9 24.7 30.1 272 289 A P - 0 0 19 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.333 53.0 -91.7 -62.5 151.8 75.3 22.1 32.3 273 290 A E > - 0 0 142 1,-0.1 3,-1.0 2,-0.1 6,-0.6 -0.462 49.8-107.1 -64.2 135.5 73.0 19.7 30.5 274 291 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.199 98.3 25.3 -63.6 149.4 69.4 21.0 30.6 275 292 A G T 3 S+ 0 0 58 1,-0.3 -2,-0.1 -3,-0.1 302,-0.0 0.699 98.0 111.3 76.8 12.1 66.9 19.3 32.8 276 293 A T S <> S- 0 0 39 -3,-1.0 4,-1.7 1,-0.1 -1,-0.3 -0.762 83.3-107.2-110.7 166.3 69.4 18.0 35.3 277 294 A P H > S+ 0 0 89 0, 0.0 4,-0.9 0, 0.0 -149,-0.2 0.864 120.1 60.6 -59.1 -32.4 70.3 18.7 38.9 278 295 A E H >> S+ 0 0 41 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.950 105.2 45.6 -58.8 -48.1 73.4 20.4 37.5 279 296 A A H >> S+ 0 0 1 -6,-0.6 4,-2.3 1,-0.2 3,-0.5 0.828 101.7 66.8 -66.7 -28.7 71.4 22.9 35.5 280 297 A R H 3X>S+ 0 0 35 -4,-1.7 4,-2.2 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0.899 114.8 50.1 -68.6 -37.7 37.5 49.7 0.4 300 12 B A H X S+ 0 0 22 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.920 110.8 49.0 -68.3 -41.4 40.6 49.2 2.5 301 13 B V H X S+ 0 0 4 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.874 107.1 55.0 -66.6 -39.5 38.5 48.0 5.5 302 14 B E H X S+ 0 0 106 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.901 105.7 53.7 -62.1 -34.5 36.5 45.6 3.4 303 15 B A H X S+ 0 0 43 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.885 106.9 51.3 -68.2 -34.5 39.8 44.0 2.3 304 16 B V H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.931 109.0 51.2 -66.3 -45.6 40.7 43.6 6.0 305 17 B K H X S+ 0 0 58 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.936 109.6 49.1 -56.5 -45.4 37.3 41.9 6.6 306 18 B D H X S+ 0 0 80 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.890 110.0 51.4 -65.7 -35.3 37.8 39.5 3.7 307 19 B F H X S+ 0 0 33 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.928 110.5 49.9 -61.1 -43.1 41.3 38.7 5.0 308 20 B L H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.915 108.8 50.0 -65.7 -42.5 40.0 37.9 8.4 309 21 B L H X S+ 0 0 42 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.947 114.3 46.8 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22.6 13.1 320 32 B E H X S+ 0 0 59 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.2 0.896 107.5 53.3 -63.3 -37.6 41.3 20.1 11.8 321 33 B A H < S+ 0 0 77 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.871 110.6 47.3 -66.3 -37.3 44.0 18.5 9.6 322 34 B E H < S+ 0 0 28 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.844 114.4 46.0 -72.8 -33.8 46.2 18.1 12.6 323 35 B D H < S- 0 0 9 -4,-1.7 -2,-0.2 3,-0.1 -3,-0.2 0.977 78.4-171.1 -71.1 -54.3 43.4 16.6 14.8 324 36 B G S < S+ 0 0 70 -4,-2.9 -1,-0.1 2,-0.3 -3,-0.1 0.169 71.4 53.7 82.9 -15.9 42.1 14.2 12.2 325 37 B Q S S+ 0 0 131 1,-0.2 2,-0.2 -5,-0.1 -1,-0.1 0.782 98.1 47.0-114.1 -59.6 39.1 13.3 14.3 326 38 B A - 0 0 17 26,-0.1 2,-0.3 -6,-0.1 -2,-0.3 -0.469 62.0-155.0 -92.0 160.8 37.0 16.3 15.4 327 39 B T - 0 0 89 20,-0.2 20,-0.3 -2,-0.2 2,-0.2 -0.904 27.2 -95.0-132.4 159.5 35.8 19.3 13.4 328 40 B F - 0 0 22 -2,-0.3 2,-0.5 18,-0.1 18,-0.2 -0.542 30.5-149.3 -74.9 141.7 34.9 22.9 14.2 329 41 B V E -H 345 0C 98 16,-2.7 16,-2.3 -2,-0.2 2,-0.4 -0.947 15.8-137.5-110.2 132.9 31.2 23.7 14.8 330 42 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