==== 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 LYASE 25-JUN-09 3I0U . COMPND 2 MOLECULE: PHOSPHOTHREONINE LYASE OSPF; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR A.U.SINGER,T.SKARINA,B.NOCEK,R.GORDON,R.LAM,O.KAGAN,A.M.EDWA . 393 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 64.4 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 . 74 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 27 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 1 1 2 0 0 0 0 3 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 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 . 4 1 0 5 6 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 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 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 31 A R > 0 0 112 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -58.0 11.6 -5.9 86.5 2 32 A L H > + 0 0 140 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.792 360.0 54.9 -59.4 -42.0 9.5 -4.1 89.1 3 33 A K H > S+ 0 0 170 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 111.3 45.7 -60.7 -46.7 11.5 -5.2 92.2 4 34 A N H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.895 112.2 49.9 -63.9 -43.6 14.7 -3.8 90.6 5 35 A N H X S+ 0 0 88 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.779 111.5 50.3 -69.7 -27.4 13.0 -0.5 89.6 6 36 A F H X S+ 0 0 22 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.910 112.1 45.9 -65.8 -49.9 11.7 -0.2 93.1 7 37 A N H X S+ 0 0 75 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.803 107.3 59.1 -68.7 -29.5 15.1 -0.8 94.6 8 38 A I H X S+ 0 0 78 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.946 112.9 39.1 -57.3 -51.2 16.6 1.6 92.1 9 39 A L H X S+ 0 0 31 -4,-1.4 4,-1.8 2,-0.2 3,-0.4 0.923 113.9 55.9 -62.7 -46.0 14.3 4.3 93.6 10 40 A Y H X S+ 0 0 65 -4,-2.8 4,-1.2 1,-0.3 -2,-0.2 0.887 109.1 42.9 -60.3 -51.0 14.8 3.1 97.2 11 41 A N H < S+ 0 0 98 -4,-2.3 4,-0.5 1,-0.2 -1,-0.3 0.715 109.4 58.4 -71.7 -22.6 18.5 3.3 97.4 12 42 A Q H >X S+ 0 0 82 -4,-1.0 3,-1.0 -3,-0.4 4,-0.8 0.911 102.5 54.1 -70.3 -39.8 18.6 6.7 95.6 13 43 A I H >< S+ 0 0 5 -4,-1.8 3,-0.8 1,-0.3 -2,-0.2 0.881 106.5 51.9 -58.3 -39.5 16.4 8.2 98.3 14 44 A R T 3< S+ 0 0 161 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.655 101.3 63.1 -78.8 -12.8 18.8 7.1 101.0 15 45 A Q T <4 S+ 0 0 158 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.740 87.1 88.6 -78.5 -25.9 21.7 8.7 99.1 16 46 A Y S << S- 0 0 82 -3,-0.8 3,-0.1 -4,-0.8 2,-0.0 -0.504 78.7-121.4 -77.1 143.0 20.3 12.2 99.4 17 47 A P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.312 50.3 -67.6 -74.1 164.7 21.0 14.5 102.4 18 48 A A - 0 0 50 1,-0.1 2,-0.4 -2,-0.0 121,-0.0 -0.200 57.2-132.2 -50.4 133.8 18.3 15.8 104.7 19 49 A Y - 0 0 16 120,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.799 15.4-154.6-101.6 139.9 16.1 18.3 102.8 20 50 A Y - 0 0 95 -2,-0.4 2,-0.6 186,-0.1 189,-0.1 -0.890 4.7-147.2-117.9 140.5 15.1 21.7 104.1 21 51 A F - 0 0 7 -2,-0.4 2,-0.5 188,-0.1 185,-0.0 -0.910 17.3-132.1-110.5 116.2 12.1 23.8 103.1 22 52 A K - 0 0 23 -2,-0.6 75,-0.5 1,-0.1 74,-0.4 -0.574 34.2-126.2 -63.6 115.2 12.4 27.6 103.1 23 53 A V - 0 0 43 -2,-0.5 69,-0.2 72,-0.1 2,-0.2 -0.564 15.3-121.9 -71.2 127.6 9.3 28.6 105.0 24 54 A A - 0 0 12 67,-2.2 3,-0.1 -2,-0.3 71,-0.1 -0.483 24.0-170.5 -64.2 134.9 6.9 31.1 103.4 25 55 A S S S+ 0 0 74 1,-0.2 2,-1.7 -2,-0.2 -1,-0.1 0.835 71.5 64.6-100.7 -43.4 6.4 34.2 105.5 26 56 A N S S+ 0 0 129 65,-0.1 -1,-0.2 2,-0.0 16,-0.0 -0.636 74.7 154.7 -79.4 91.2 3.6 36.1 103.8 27 57 A V - 0 0 45 -2,-1.7 2,-0.1 -3,-0.1 64,-0.1 -0.955 44.1-116.4-121.7 141.9 0.9 33.5 104.4 28 58 A P - 0 0 5 0, 0.0 2,-0.1 0, 0.0 62,-0.0 -0.420 30.2-120.2 -72.2 152.8 -2.8 34.0 104.6 29 59 A T > - 0 0 57 -2,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.358 32.7 -98.0 -79.1 166.8 -4.5 33.2 107.9 30 60 A Y H > S+ 0 0 22 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.907 125.5 49.0 -47.9 -50.6 -7.3 30.6 108.1 31 61 A S H > S+ 0 0 67 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.867 106.4 58.0 -65.8 -31.7 -10.0 33.2 107.9 32 62 A D H >> S+ 0 0 65 1,-0.2 4,-1.3 2,-0.2 3,-1.0 0.932 107.6 45.6 -60.6 -46.5 -8.3 34.8 104.8 33 63 A I H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.753 104.7 64.6 -68.8 -20.9 -8.5 31.5 102.9 34 64 A C H 3< S+ 0 0 15 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.727 111.5 34.7 -71.3 -18.6 -12.1 31.0 104.0 35 65 A Q H << S+ 0 0 123 -3,-1.0 2,-1.4 -4,-0.7 -2,-0.2 0.589 84.8 115.0-111.8 -20.1 -13.1 34.1 102.0 36 66 A S < + 0 0 5 -4,-1.3 12,-0.5 1,-0.2 3,-0.2 -0.396 34.9 174.7 -54.6 85.5 -10.8 33.8 99.1 37 67 A F S S- 0 0 165 -2,-1.4 11,-1.0 1,-0.2 2,-0.3 0.999 81.9 -14.6 -56.7 -62.0 -13.2 33.3 96.2 38 68 A S E S+A 47 0A 80 9,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.842 92.2 143.4-150.9 108.6 -10.3 33.4 93.7 39 69 A V E -A 46 0A 51 7,-1.8 7,-3.1 -2,-0.3 2,-0.4 -0.999 38.8-131.7-157.6 131.0 -7.0 34.8 95.0 40 70 A M E +A 45 0A 84 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.756 23.8 170.6 -95.7 133.6 -3.2 34.2 94.6 41 71 A Y E > S-A 44 0A 65 3,-2.8 3,-2.4 -2,-0.4 -2,-0.0 -0.957 72.0 -17.6-140.6 124.6 -0.7 33.8 97.5 42 72 A Q T 3 S- 0 0 88 -2,-0.3 3,-0.1 1,-0.3 -18,-0.0 0.855 126.6 -51.8 53.9 41.2 2.9 32.7 97.0 43 73 A G T 3 S+ 0 0 34 1,-0.2 17,-1.6 16,-0.1 2,-0.5 0.374 116.4 112.3 75.3 -6.5 2.3 31.2 93.6 44 74 A F E < -AB 41 59A 0 -3,-2.4 -3,-2.8 15,-0.2 2,-0.5 -0.871 61.4-141.0 -95.9 131.0 -0.7 29.2 94.9 45 75 A Q E -AB 40 58A 83 13,-3.4 13,-2.1 -2,-0.5 2,-0.5 -0.803 17.2-153.0 -88.1 132.9 -4.2 30.0 93.6 46 76 A I E +AB 39 57A 0 -7,-3.1 -7,-1.8 -2,-0.5 2,-0.4 -0.925 15.6 178.2-110.6 126.2 -6.8 29.7 96.4 47 77 A V E -AB 38 56A 44 9,-2.0 9,-2.6 -2,-0.5 2,-0.3 -0.993 17.2-177.4-129.1 138.2 -10.5 29.0 95.6 48 78 A N + 0 0 8 -11,-1.0 2,-0.3 -12,-0.5 7,-0.1 -0.785 17.0 176.9-132.0 86.1 -13.5 28.5 97.9 49 79 A H > - 0 0 135 -2,-0.3 3,-1.5 5,-0.3 5,-0.2 -0.664 38.8-125.9 -86.4 142.2 -16.5 27.6 95.7 50 80 A S T 3 S+ 0 0 96 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.715 96.1 91.5 -67.6 -6.8 -19.7 26.8 97.5 51 81 A G T 3 S+ 0 0 57 2,-0.1 2,-0.3 1,-0.0 -1,-0.3 0.675 97.4 12.9 -63.3 -25.9 -19.7 23.6 95.4 52 82 A D S < S- 0 0 61 -3,-1.5 -1,-0.0 2,-0.2 58,-0.0 -0.982 77.3-108.1-147.5 177.6 -17.9 21.8 98.2 53 83 A V S S+ 0 0 34 -2,-0.3 54,-2.9 57,-0.1 2,-0.2 0.343 87.3 92.2 -82.6 7.8 -16.8 22.0 101.8 54 84 A F E - C 0 106A 23 52,-0.2 2,-0.5 -5,-0.2 -5,-0.3 -0.620 64.9-141.7-110.7 157.0 -13.1 22.6 100.9 55 85 A I E - C 0 105A 1 50,-2.4 50,-1.9 -2,-0.2 2,-0.3 -0.989 31.8-148.5-113.8 117.9 -10.7 25.5 100.2 56 86 A H E -BC 47 104A 36 -9,-2.6 -9,-2.0 -2,-0.5 2,-0.4 -0.633 12.5-164.2 -94.7 141.6 -8.4 24.5 97.3 57 87 A A E +BC 46 103A 0 46,-3.4 46,-2.5 -2,-0.3 2,-0.4 -0.996 12.4 175.1-128.7 132.4 -4.8 25.5 96.8 58 88 A C E -BC 45 102A 57 -13,-2.1 -13,-3.4 -2,-0.4 2,-0.5 -0.975 27.4-135.9-148.3 111.6 -3.2 25.1 93.5 59 89 A R E -B 44 0A 22 42,-3.0 -15,-0.2 -2,-0.4 -16,-0.1 -0.651 13.5-148.9 -75.8 121.6 0.2 26.1 92.3 60 90 A E S S+ 0 0 124 -17,-1.6 -1,-0.1 -2,-0.5 -16,-0.1 0.669 93.5 47.6 -71.2 -20.4 -0.1 27.6 88.8 61 91 A N S S- 0 0 124 -18,-0.4 -1,-0.3 40,-0.1 4,-0.1 -0.777 89.3-153.1-114.6 86.2 3.3 26.5 87.9 62 92 A P - 0 0 49 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 -0.176 12.7-152.0 -56.2 144.9 3.4 22.8 89.0 63 93 A Q S S+ 0 0 75 1,-0.2 2,-0.6 36,-0.0 37,-0.0 0.569 95.4 55.3 -92.2 -13.9 6.9 21.4 89.9 64 94 A S S S- 0 0 3 2,-0.1 -1,-0.2 1,-0.1 63,-0.1 -0.831 76.3-169.7-115.5 89.6 5.6 18.0 88.9 65 95 A K + 0 0 170 -2,-0.6 62,-0.2 62,-0.2 2,-0.1 0.333 56.5 72.1 -71.0 12.6 4.4 18.6 85.3 66 96 A G S S- 0 0 31 60,-2.1 -2,-0.1 1,-0.2 63,-0.1 -0.286 87.3 -47.7-110.7-162.5 2.6 15.2 84.9 67 97 A D - 0 0 99 58,-0.1 59,-3.1 -2,-0.1 2,-0.6 -0.288 38.6-120.9 -69.7 146.9 -0.6 13.4 86.1 68 98 A F E -D 125 0A 58 57,-0.3 57,-0.2 1,-0.1 -1,-0.1 -0.817 35.5-174.9 -71.2 120.5 -2.1 12.9 89.5 69 99 A V E - 0 0 48 55,-0.6 112,-0.1 -2,-0.6 -1,-0.1 0.081 55.0 -73.2-120.3 21.1 -2.0 9.1 89.4 70 100 A G E S+ 0 0 1 54,-0.3 110,-1.9 1,-0.2 2,-0.4 0.210 87.9 125.7 117.4 -14.7 -3.8 8.2 92.7 71 101 A D E + E 0 179A 8 53,-0.4 53,-2.3 108,-0.2 2,-0.3 -0.678 27.9 146.8 -96.5 127.6 -1.4 9.0 95.6 72 102 A K E -DE 123 178A 26 106,-2.1 106,-2.7 -2,-0.4 2,-0.3 -0.989 31.6-143.1-154.9 157.9 -2.4 11.3 98.4 73 103 A F E -DE 122 177A 0 49,-1.9 49,-2.9 -2,-0.3 2,-0.3 -0.928 9.5-153.8-122.6 149.2 -2.0 12.1 102.1 74 104 A H E -DE 121 176A 21 102,-2.3 102,-2.1 -2,-0.3 2,-0.4 -0.854 7.3-148.6-112.0 153.2 -4.5 13.4 104.7 75 105 A I E -DE 120 175A 0 45,-2.1 45,-1.6 -2,-0.3 44,-0.8 -0.999 15.8-156.5-118.3 128.9 -3.6 15.3 107.8 76 106 A S + 0 0 0 98,-2.3 84,-1.3 -2,-0.4 2,-0.3 -0.931 17.1 170.9-114.7 118.8 -6.0 14.7 110.7 77 107 A I B -H 159 0B 0 -2,-0.5 84,-0.4 82,-0.3 5,-0.1 -0.842 43.7 -89.7-121.4 151.5 -6.4 17.2 113.5 78 108 A A > - 0 0 22 80,-2.6 3,-1.8 -2,-0.3 4,-0.4 -0.432 47.7-111.5 -55.5 141.6 -8.8 17.6 116.4 79 109 A R G > S+ 0 0 129 1,-0.3 3,-1.1 37,-0.2 -1,-0.1 0.862 113.9 44.2 -52.3 -46.2 -11.8 19.6 115.2 80 110 A E G 3 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.573 109.8 56.8 -76.1 -12.0 -11.2 22.7 117.4 81 111 A Q G <> S+ 0 0 60 -3,-1.8 4,-2.6 1,-0.1 -1,-0.2 0.293 78.0 100.1-103.8 6.9 -7.5 22.8 116.6 82 112 A V H <> S+ 0 0 0 -3,-1.1 4,-2.0 -4,-0.4 5,-0.2 0.939 81.8 43.1 -59.8 -56.2 -7.9 23.0 112.8 83 113 A P H > S+ 0 0 49 0, 0.0 4,-2.1 0, 0.0 -53,-0.2 0.918 115.9 51.3 -57.6 -40.6 -7.4 26.7 112.2 84 114 A L H > S+ 0 0 84 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.931 108.9 50.4 -56.8 -49.2 -4.5 26.7 114.6 85 115 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.783 107.6 54.0 -62.5 -32.9 -2.9 23.7 112.8 86 116 A F H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.917 108.0 49.6 -65.4 -43.6 -3.3 25.5 109.5 87 117 A Q H X S+ 0 0 127 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.923 112.7 47.7 -63.6 -40.1 -1.4 28.5 110.9 88 118 A I H < S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.879 120.9 37.0 -63.4 -39.1 1.3 26.3 112.1 89 119 A L H >X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 3,-1.0 0.579 91.5 88.8 -90.9 -8.8 1.4 24.5 108.7 90 120 A S H 3X S+ 0 0 5 -4,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.870 82.4 58.4 -66.1 -37.2 0.8 27.4 106.3 91 121 A G H 3< S+ 0 0 9 -4,-0.5 -67,-2.2 -3,-0.2 -1,-0.3 0.816 114.0 39.1 -58.2 -31.6 4.5 28.3 106.0 92 122 A L H X4 S+ 0 0 7 -3,-1.0 3,-1.8 -4,-0.2 6,-0.2 0.916 113.7 52.0 -84.1 -51.8 5.2 24.7 104.8 93 123 A L H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.758 117.4 40.3 -55.4 -27.1 2.1 24.3 102.6 94 124 A F T 3< S+ 0 0 2 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.265 88.5 127.0-104.3 12.8 2.9 27.6 100.8 95 125 A S X - 0 0 0 -3,-1.8 3,-1.1 1,-0.1 -72,-0.1 -0.398 64.0-135.1 -74.5 144.4 6.7 27.1 100.6 96 126 A E T 3 S+ 0 0 107 -74,-0.4 -1,-0.1 1,-0.3 -73,-0.1 0.747 108.1 53.3 -72.1 -15.8 8.4 27.4 97.2 97 127 A D T 3 S+ 0 0 8 -75,-0.5 -1,-0.3 -5,-0.1 -74,-0.1 0.484 79.4 117.6 -89.2 -11.0 10.2 24.2 98.1 98 128 A S < - 0 0 0 -3,-1.1 43,-0.1 -6,-0.2 -5,-0.0 -0.296 59.7-145.6 -58.5 141.1 7.2 22.1 99.0 99 129 A P S S+ 0 0 3 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.311 74.9 94.3 -88.3 10.8 6.7 19.1 96.7 100 130 A I + 0 0 0 1,-0.1 24,-0.1 24,-0.1 -2,-0.1 -0.895 45.5 176.5-109.1 109.9 2.9 19.4 96.9 101 131 A D S S+ 0 0 5 -2,-0.7 -42,-3.0 22,-0.4 2,-0.4 0.715 71.2 36.2 -83.1 -22.1 1.4 21.4 94.0 102 132 A K E +CF 58 123A 78 21,-0.7 21,-2.3 -44,-0.2 2,-0.3 -0.999 65.6 151.4-135.5 125.2 -2.2 20.9 95.0 103 133 A W E -CF 57 122A 0 -46,-2.5 -46,-3.4 -2,-0.4 2,-0.3 -0.948 19.1-159.3-138.6 168.7 -3.9 20.7 98.4 104 134 A K E -CF 56 121A 29 17,-2.2 17,-2.0 -2,-0.3 2,-0.4 -0.975 1.9-157.5-141.2 163.0 -7.2 21.4 100.0 105 135 A I E -CF 55 120A 0 -50,-1.9 -50,-2.4 -2,-0.3 15,-0.2 -0.998 28.7-105.7-141.7 135.2 -8.5 22.1 103.5 106 136 A T E -C 54 0A 0 13,-2.3 2,-1.1 -2,-0.4 -52,-0.2 -0.336 28.6-128.3 -52.9 134.9 -12.0 21.7 105.1 107 137 A D >> - 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0 0 50 -3,-0.7 4,-2.3 -4,-0.2 3,-0.3 -0.144 65.1-133.7 -41.5 119.2 1.6 0.0 97.4 190 232 A P H > S+ 0 0 68 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.930 105.7 50.8 -38.7 -62.9 5.1 0.8 95.9 191 233 A F H > S+ 0 0 8 1,-0.2 4,-0.7 2,-0.2 -2,-0.1 0.845 110.9 48.5 -43.2 -48.4 4.7 4.5 96.6 192 234 A Y H >> S+ 0 0 4 -3,-0.3 4,-1.3 2,-0.2 3,-0.7 0.878 106.6 54.9 -67.4 -40.9 3.8 3.8 100.3 193 235 A R H >X S+ 0 0 87 -4,-2.3 4,-2.3 -3,-0.3 3,-0.5 0.925 106.6 52.8 -56.8 -44.7 6.6 1.4 100.9 194 236 A L H 3< S+ 0 0 7 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.720 106.2 55.9 -64.0 -20.8 9.0 4.2 99.7 195 237 A M H << S+ 0 0 8 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.868 120.5 21.6 -78.6 -34.6 7.4 6.6 102.2 196 238 A I H << 0 0 61 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.1 0.704 360.0 360.0-112.8 -29.0 8.0 4.6 105.4 197 239 A E < 0 0 86 -4,-2.3 0, 0.0 -5,-0.2 0, 0.0 -0.078 360.0 360.0 -80.8 360.0 10.8 2.0 105.0 198 !* 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 0.0 199 27 B S > 0 0 119 0, 0.0 4,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.3 21.6 17.9 90.3 200 28 B A H > + 0 0 77 2,-0.2 4,-1.9 1,-0.1 5,-0.1 0.864 360.0 46.5 -78.1 -44.8 23.4 21.2 90.6 201 29 B N H > S+ 0 0 108 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.936 111.7 54.4 -70.4 -39.4 20.7 23.7 91.2 202 30 B E H > S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.782 105.2 55.5 -49.1 -38.8 19.4 21.3 93.8 203 31 B R H X S+ 0 0 152 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.991 113.9 38.0 -58.2 -59.7 22.8 21.4 95.4 204 32 B L H X S+ 0 0 122 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.851 115.6 52.5 -61.2 -43.3 22.8 25.2 95.7 205 33 B K H X S+ 0 0 86 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.925 111.7 46.4 -61.2 -49.9 19.1 25.5 96.6 206 34 B N H X S+ 0 0 11 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.877 112.1 50.0 -60.0 -41.7 19.5 23.0 99.4 207 35 B N H X S+ 0 0 73 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.820 111.5 49.9 -69.3 -31.6 22.7 24.7 100.8 208 36 B F H X S+ 0 0 17 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.872 111.6 47.1 -65.8 -42.9 20.9 28.0 100.7 209 37 B N H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.837 107.6 57.3 -72.5 -32.5 17.9 26.5 102.6 210 38 B I H X S+ 0 0 48 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.974 113.5 40.3 -54.6 -55.5 20.3 24.9 105.1 211 39 B L H X S+ 0 0 32 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.888 114.5 52.9 -61.0 -45.8 21.6 28.4 105.8 212 40 B Y H X S+ 0 0 7 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.898 110.3 44.4 -61.4 -50.2 18.2 30.1 105.7 213 41 B N H X S+ 0 0 34 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.793 110.2 56.2 -66.8 -29.6 16.5 27.9 108.3 214 42 B Q H >X S+ 0 0 74 -4,-1.5 3,-0.9 -5,-0.2 4,-0.8 0.913 103.3 54.8 -69.6 -42.4 19.5 27.9 110.6 215 43 B I H >< S+ 0 0 5 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.866 107.0 50.7 -53.8 -40.2 19.4 31.8 110.8 216 44 B R H 3< S+ 0 0 135 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.662 101.2 63.9 -79.6 -13.9 15.7 31.6 111.8 217 45 B Q H << S+ 0 0 155 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.747 86.3 88.1 -74.8 -26.4 16.5 29.1 114.6 218 46 B Y S << S- 0 0 87 -4,-0.8 3,-0.1 -3,-0.6 2,-0.0 -0.522 79.4-121.6 -78.9 141.6 18.7 31.6 116.5 219 47 B P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.286 50.4 -66.8 -71.1 164.4 17.2 34.0 119.1 220 48 B A - 0 0 57 1,-0.1 2,-0.4 125,-0.0 121,-0.0 -0.250 57.3-131.9 -52.1 132.0 17.6 37.8 118.8 221 49 B Y - 0 0 70 120,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.767 14.9-156.3 -99.1 140.8 21.2 38.9 119.1 222 50 B Y - 0 0 190 -2,-0.4 2,-0.4 127,-0.0 124,-0.1 -0.941 7.4-144.7-121.5 131.6 22.5 41.7 121.3 223 51 B F - 0 0 23 -2,-0.4 2,-0.6 123,-0.0 71,-0.0 -0.801 18.6-126.0 -99.8 127.9 25.6 43.6 120.8 224 52 B K - 0 0 124 -2,-0.4 72,-0.5 1,-0.1 71,-0.4 -0.655 35.9-126.3 -71.6 118.2 27.6 44.8 123.9 225 53 B V - 0 0 89 -2,-0.6 2,-0.3 69,-0.1 66,-0.2 -0.528 12.4-126.5 -79.2 129.8 28.0 48.5 123.2 226 54 B A - 0 0 12 64,-2.6 3,-0.1 -2,-0.3 68,-0.1 -0.549 25.0-177.9 -64.7 132.1 31.5 50.0 123.2 227 55 B S + 0 0 102 -2,-0.3 2,-1.7 1,-0.2 -1,-0.1 0.798 68.7 68.5-106.9 -40.1 31.7 53.1 125.6 228 56 B N S S+ 0 0 127 62,-0.1 -1,-0.2 2,-0.0 14,-0.1 -0.625 75.2 151.2 -77.0 84.7 35.3 54.3 125.2 229 57 B V - 0 0 45 -2,-1.7 61,-0.1 -3,-0.1 2,-0.1 -0.935 46.4-117.0-122.0 141.1 34.8 55.5 121.6 230 58 B P - 0 0 6 0, 0.0 2,-0.1 0, 0.0 59,-0.1 -0.390 29.6-121.1 -69.6 152.6 36.4 58.3 119.7 231 59 B T > - 0 0 55 -2,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.407 34.7 -96.4 -80.7 170.1 34.4 61.2 118.5 232 60 B Y H > S+ 0 0 19 50,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.873 125.9 49.3 -57.2 -42.1 34.2 62.1 114.8 233 61 B S H > S+ 0 0 65 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.855 106.0 59.0 -68.9 -29.5 36.9 64.7 115.0 234 62 B D H >4 S+ 0 0 70 1,-0.2 3,-1.0 2,-0.2 -2,-0.2 0.926 107.2 45.3 -61.9 -44.5 39.2 62.2 116.8 235 63 B I H 3< S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.767 103.8 65.3 -72.5 -22.2 39.0 59.7 114.0 236 64 B C H 3< 0 0 17 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.686 360.0 360.0 -66.7 -19.3 39.7 62.5 111.5 237 65 B Q << 0 0 173 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.683 360.0 360.0-115.4 360.0 43.1 63.0 113.0 238 ! 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 0.0 239 69 B V 0 0 107 0, 0.0 7,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.0 45.8 54.8 116.3 240 70 B M E +I 245 0C 86 5,-0.2 2,-0.3 3,-0.0 5,-0.2 -0.761 360.0 172.0 -92.2 132.8 44.0 51.8 118.1 241 71 B Y E > S-I 244 0C 68 3,-2.7 3,-2.3 -2,-0.4 -12,-0.0 -0.962 71.1 -20.3-134.3 126.9 40.6 52.1 119.7 242 72 B Q T 3 S- 0 0 90 -2,-0.3 3,-0.1 1,-0.3 -16,-0.0 0.837 126.7 -49.1 50.8 41.6 38.7 49.0 121.1 243 73 B G T 3 S+ 0 0 34 1,-0.2 17,-1.6 16,-0.1 2,-0.5 0.254 117.2 110.7 84.5 -13.2 40.7 46.5 119.0 244 74 B F E < -IJ 241 259C 0 -3,-2.3 -3,-2.7 15,-0.2 2,-0.4 -0.839 61.7-141.1 -96.7 127.2 40.2 48.5 115.8 245 75 B Q E -IJ 240 258C 98 13,-3.5 13,-1.9 -2,-0.5 2,-0.5 -0.763 18.1-151.2 -85.3 130.6 43.2 50.2 114.2 246 76 B I E + J 0 257C 12 -7,-3.1 2,-0.4 -2,-0.4 11,-0.2 -0.903 17.0 177.6-110.3 124.7 42.2 53.6 112.7 247 77 B V E - J 0 256C 73 9,-2.4 9,-3.0 -2,-0.5 2,-0.3 -0.991 17.0-178.4-126.8 137.6 44.0 55.1 109.7 248 78 B N + 0 0 39 -2,-0.4 2,-0.3 7,-0.2 7,-0.1 -0.750 17.8 177.1-129.2 83.3 43.4 58.4 107.8 249 79 B H > - 0 0 60 -2,-0.3 3,-1.6 5,-0.2 5,-0.2 -0.698 39.2-125.3 -84.4 140.2 46.0 58.5 105.0 250 80 B S T 3 S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.3 3,-0.0 0.643 95.9 92.7 -60.8 -11.2 45.8 61.4 102.6 251 81 B G T 3 S+ 0 0 76 1,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.635 97.1 10.4 -59.4 -23.4 45.6 58.8 99.8 252 82 B D S < S- 0 0 61 -3,-1.6 -1,-0.1 2,-0.2 57,-0.0 -0.987 77.4-106.3-152.8 169.7 41.8 58.8 99.9 253 83 B V S S+ 0 0 33 -2,-0.3 53,-3.0 56,-0.1 2,-0.2 0.394 88.0 95.2 -75.0 5.9 38.8 60.6 101.3 254 84 B F E - K 0 305C 42 51,-0.2 2,-0.5 -5,-0.2 -5,-0.2 -0.616 64.8-141.3-106.7 157.7 38.2 57.8 103.9 255 85 B I E - K 0 304C 0 49,-2.2 49,-2.0 -2,-0.2 2,-0.3 -0.982 31.0-147.3-111.6 117.1 39.0 57.0 107.5 256 86 B H E -JK 247 303C 42 -9,-3.0 -9,-2.4 -2,-0.5 2,-0.4 -0.690 14.1-168.2 -95.1 138.5 39.7 53.2 107.8 257 87 B A E +JK 246 302C 0 45,-3.0 45,-2.2 -2,-0.3 2,-0.4 -0.995 11.1 174.3-126.7 132.8 38.9 51.0 110.7 258 88 B C E -JK 245 301C 59 -13,-1.9 -13,-3.5 -2,-0.4 2,-0.6 -0.974 28.4-135.4-147.0 117.5 40.3 47.5 110.9 259 89 B R E -J 244 0C 22 41,-2.7 -15,-0.2 -2,-0.4 -16,-0.1 -0.651 13.6-149.6 -79.2 117.5 40.2 45.0 113.7 260 90 B E S S+ 0 0 122 -17,-1.6 -1,-0.2 -2,-0.6 -16,-0.1 0.688 92.4 50.2 -67.0 -17.8 43.6 43.5 114.1 261 91 B N S S- 0 0 122 -18,-0.4 -1,-0.3 39,-0.1 -2,-0.0 -0.753 88.8-151.6-116.5 86.2 42.1 40.2 115.2 262 92 B P 0 0 99 0, 0.0 -2,-0.1 0, 0.0 37,-0.0 -0.108 360.0 360.0 -56.4 146.3 39.5 39.3 112.6 263 93 B Q 0 0 121 35,-0.1 36,-0.0 -4,-0.0 0, 0.0 0.734 360.0 360.0 -98.5 360.0 36.4 37.2 113.7 264 ! 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 0.0 265 96 B G 0 0 87 0, 0.0 66,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-169.4 39.1 34.2 105.6 266 97 B D - 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