==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JUN-11 3SBY . COMPND 2 MOLECULE: METHYLMALONIC ACIDURIA AND HOMOCYSTINURIA TYPE C . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KOUTMOS,C.GHERASIM,J.L.SMITH,R.BANERJEE . 446 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 62.8 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 . 59 13.2 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 . 2 0.4 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 . 33 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 3 0 3 1 1 0 0 1 1 2 0 1 0 0 0 0 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 . 2 0 2 2 0 0 3 1 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 . 2 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 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 1 A X 0 0 143 0, 0.0 5,-0.1 0, 0.0 160,-0.1 0.000 360.0 360.0 360.0 150.1 -1.7 43.3 102.3 2 2 A E >> - 0 0 55 1,-0.1 4,-2.5 3,-0.1 3,-0.5 -0.224 360.0-119.4 -53.3 137.0 -4.6 42.3 100.1 3 3 A P H 3> S+ 0 0 100 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.840 116.2 57.1 -46.5 -39.8 -7.5 40.7 102.0 4 4 A K H 3> S+ 0 0 131 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.939 109.7 43.6 -55.4 -50.3 -7.0 37.6 99.9 5 5 A V H <> S+ 0 0 9 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.882 114.8 49.3 -64.0 -42.5 -3.4 37.3 101.1 6 6 A A H X S+ 0 0 34 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.880 112.5 48.1 -65.8 -39.6 -4.3 38.1 104.7 7 7 A E H X S+ 0 0 120 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.932 112.9 46.2 -66.0 -47.0 -7.1 35.5 104.7 8 8 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.883 110.9 53.8 -67.0 -37.8 -4.9 32.7 103.2 9 9 A K H X S+ 0 0 31 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.906 111.8 45.3 -56.8 -45.0 -2.1 33.6 105.6 10 10 A Q H X S+ 0 0 94 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.817 108.4 55.9 -73.2 -32.8 -4.5 33.2 108.5 11 11 A K H X S+ 0 0 74 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.927 107.9 49.5 -65.6 -43.7 -6.0 30.0 107.2 12 12 A I H >X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 3,-0.6 0.939 113.4 45.3 -56.2 -50.8 -2.5 28.4 107.1 13 13 A E H 3X S+ 0 0 46 -4,-1.8 4,-1.9 1,-0.3 -2,-0.2 0.838 110.7 52.6 -67.3 -35.0 -1.7 29.5 110.7 14 14 A D H 3< S+ 0 0 103 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.698 114.8 45.0 -70.8 -20.6 -5.1 28.3 112.0 15 15 A T H << S+ 0 0 15 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.806 128.0 23.1 -88.3 -36.1 -4.3 25.0 110.4 16 16 A L H ><>S+ 0 0 2 -4,-2.3 3,-1.7 -5,-0.1 5,-1.1 0.857 108.6 64.7-103.1 -41.7 -0.7 24.6 111.5 17 17 A C G ><5S+ 0 0 55 -4,-1.9 3,-1.5 1,-0.3 -3,-0.1 0.794 93.7 60.3 -61.0 -35.8 -0.1 26.7 114.7 18 18 A P G 3 5S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.567 104.2 56.0 -68.4 -2.1 -2.4 24.8 117.1 19 19 A F G < 5S- 0 0 56 -3,-1.7 -2,-0.2 2,-0.1 43,-0.1 0.169 129.9 -88.2-114.2 14.1 -0.3 21.7 116.4 20 20 A G T < 5S+ 0 0 5 -3,-1.5 35,-2.9 1,-0.3 38,-0.5 0.683 88.1 125.8 87.5 21.6 3.1 23.1 117.3 21 21 A F E < -A 54 0A 7 -5,-1.1 2,-0.4 33,-0.2 -1,-0.3 -0.742 42.2-157.4-107.8 157.9 4.1 24.6 114.0 22 22 A E E -A 53 0A 42 31,-2.9 31,-2.9 -2,-0.3 2,-0.4 -0.997 5.1-156.1-132.6 141.0 5.1 28.2 113.0 23 23 A V E -A 52 0A 10 -2,-0.4 29,-0.2 29,-0.2 -10,-0.0 -0.966 5.3-169.8-122.9 132.6 4.9 29.8 109.6 24 24 A Y E -A 51 0A 46 27,-2.9 27,-3.3 -2,-0.4 2,-0.1 -0.971 16.3-140.6-122.8 118.6 7.0 32.7 108.3 25 25 A P E +A 50 0A 15 0, 0.0 2,-0.3 0, 0.0 25,-0.2 -0.444 27.9 165.3 -77.1 148.4 6.1 34.4 105.0 26 26 A F E -A 49 0A 2 23,-2.7 23,-2.6 -2,-0.1 2,-0.3 -0.979 36.8-111.4-157.5 155.4 8.7 35.6 102.5 27 27 A Q E >> -A 48 0A 16 -2,-0.3 3,-1.0 21,-0.2 4,-0.9 -0.685 26.4-130.5 -82.0 138.4 9.2 36.8 99.0 28 28 A V H >> S+ 0 0 0 19,-2.1 4,-2.3 -2,-0.3 3,-0.9 0.887 104.9 66.7 -53.3 -40.8 11.1 34.4 96.7 29 29 A A H 3> S+ 0 0 26 16,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.807 94.2 56.2 -51.4 -39.5 13.4 37.3 95.7 30 30 A W H <4 S+ 0 0 50 -3,-1.0 4,-0.4 15,-0.3 -1,-0.3 0.864 111.9 43.3 -64.9 -36.5 14.9 37.6 99.1 31 31 A Y H X< S+ 0 0 2 -4,-0.9 3,-0.5 -3,-0.9 -2,-0.2 0.892 116.5 46.1 -75.3 -42.2 16.0 33.9 99.0 32 32 A N H >< S+ 0 0 15 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.823 95.2 74.5 -70.7 -32.9 17.2 34.1 95.4 33 33 A E T 3< S+ 0 0 171 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.742 101.8 41.4 -56.8 -28.7 19.3 37.3 95.6 34 34 A L T < S+ 0 0 83 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 -0.118 111.2 72.1-109.4 36.5 22.1 35.7 97.6 35 35 A L S < S- 0 0 14 -3,-1.9 326,-0.1 324,-0.1 324,-0.0 -0.997 81.3-109.5-151.3 142.8 22.1 32.5 95.5 36 36 A P > - 0 0 6 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.457 42.6-103.4 -72.3 149.8 23.1 31.4 91.9 37 37 A P G > S+ 0 0 47 0, 0.0 3,-1.0 0, 0.0 377,-0.2 0.724 118.4 66.7 -42.7 -32.9 20.3 30.5 89.4 38 38 A A G 3 S+ 0 0 8 375,-2.4 76,-0.3 1,-0.3 376,-0.1 0.852 108.2 37.5 -58.7 -37.6 21.0 26.8 89.9 39 39 A F G < S+ 0 0 34 -3,-2.4 -1,-0.3 374,-0.2 77,-0.2 0.310 95.5 121.5 -98.8 5.7 19.7 27.1 93.5 40 40 A H S < S- 0 0 64 -3,-1.0 74,-0.2 -4,-0.4 -12,-0.0 -0.193 72.8-111.0 -65.9 156.5 16.9 29.6 92.7 41 41 A L - 0 0 6 -13,-0.2 2,-3.0 2,-0.1 -1,-0.1 -0.861 35.7-125.0 -82.9 120.5 13.3 29.0 93.4 42 42 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.301 78.2 89.6 -71.3 62.0 11.9 28.7 89.8 43 43 A L S S- 0 0 46 -2,-3.0 -2,-0.1 4,-0.1 4,-0.0 -0.978 87.0 -76.5-152.9 155.8 9.3 31.5 90.3 44 44 A P > - 0 0 69 0, 0.0 3,-1.9 0, 0.0 -16,-0.3 -0.210 49.8-108.6 -57.2 149.9 9.0 35.3 89.9 45 45 A G T 3 S+ 0 0 28 1,-0.3 -16,-3.0 -17,-0.2 -17,-0.3 0.828 113.7 50.2 -48.1 -48.5 10.7 37.4 92.6 46 46 A P T 3 S+ 0 0 36 0, 0.0 115,-3.4 0, 0.0 -1,-0.3 0.320 80.1 129.3 -80.6 11.3 7.6 38.7 94.4 47 47 A T E < - B 0 160A 0 -3,-1.9 -19,-2.1 113,-0.3 113,-0.2 -0.475 62.8-115.8 -70.3 132.2 6.0 35.2 94.6 48 48 A X E +AB 27 156A 0 111,-2.7 108,-2.2 108,-0.5 2,-0.3 -0.452 37.6 175.7 -73.3 135.6 4.9 34.4 98.1 49 49 A A E -AB 26 155A 0 -23,-2.6 -23,-2.7 106,-0.2 2,-0.4 -0.920 17.5-145.9-133.1 161.2 6.5 31.6 100.1 50 50 A F E -AB 25 154A 0 104,-2.2 104,-2.8 -2,-0.3 2,-0.5 -0.994 4.8-149.6-131.7 125.8 6.1 30.3 103.6 51 51 A L E -AB 24 153A 0 -27,-3.3 -27,-2.9 -2,-0.4 2,-0.5 -0.829 18.1-151.5 -90.5 132.6 8.8 28.8 105.8 52 52 A V E -AB 23 152A 2 100,-3.3 99,-2.6 -2,-0.5 100,-1.4 -0.922 14.7-178.2-110.8 124.4 7.5 26.2 108.2 53 53 A L E -AB 22 150A 1 -31,-2.9 -31,-2.9 -2,-0.5 2,-0.4 -0.928 17.6-142.2-117.1 144.1 9.1 25.5 111.6 54 54 A S E -AB 21 149A 1 95,-2.4 95,-1.7 -2,-0.4 -33,-0.2 -0.857 18.0-156.3-101.2 143.8 8.2 22.9 114.2 55 55 A T > - 0 0 11 -35,-2.9 3,-1.4 -2,-0.4 4,-0.4 -0.433 38.4 -91.5-104.6-179.8 8.5 23.9 117.9 56 56 A P T >> S+ 0 0 0 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.769 123.4 65.5 -63.1 -22.1 8.9 21.7 121.0 57 57 A A H 3> S+ 0 0 8 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.595 83.5 75.2 -75.1 -11.1 5.1 21.7 121.3 58 58 A X H <>>S+ 0 0 1 -3,-1.4 4,-2.8 -38,-0.5 5,-1.8 0.822 85.3 61.0 -76.1 -30.7 4.7 19.7 118.0 59 59 A F H <4>S+ 0 0 8 -3,-0.6 5,-2.4 -4,-0.4 4,-0.2 0.963 115.4 32.4 -56.3 -54.3 5.7 16.4 119.5 60 60 A D H <5S+ 0 0 61 -4,-0.5 -2,-0.2 3,-0.2 -1,-0.2 0.855 127.3 40.7 -74.5 -36.6 2.9 16.3 122.0 61 61 A R H <5S+ 0 0 130 -4,-2.0 -3,-0.2 -42,-0.1 -2,-0.2 0.775 134.5 12.4 -84.2 -28.4 0.3 18.2 119.8 62 62 A A T <5S+ 0 0 1 -4,-2.8 5,-0.2 -5,-0.2 -3,-0.2 0.792 124.9 44.4-116.2 -49.0 1.1 16.6 116.5 63 63 A L T >4 S+ 0 0 12 -2,-0.2 3,-1.6 1,-0.1 6,-0.4 -0.319 108.8 68.0 81.6 -52.9 -1.7 10.7 114.6 67 67 A L T 3< S+ 0 0 60 -2,-1.4 -1,-0.1 -4,-1.2 -3,-0.1 0.703 104.8 43.3 -65.4 -21.1 0.7 8.0 115.8 68 68 A Q T 3 S+ 0 0 165 -4,-0.5 -1,-0.3 -5,-0.1 2,-0.3 -0.140 108.9 81.7-113.8 33.4 -2.4 6.8 117.7 69 69 A S S X S- 0 0 45 -3,-1.6 3,-1.1 -4,-0.1 0, 0.0 -0.825 90.2-103.5-134.1 172.9 -4.8 7.3 114.7 70 70 A C T 3 S+ 0 0 103 -2,-0.3 -3,-0.1 1,-0.2 -1,-0.0 0.541 106.5 77.1 -76.4 -8.1 -5.9 5.5 111.5 71 71 A H T 3 + 0 0 89 -5,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.610 69.8 109.4 -76.4 -14.5 -3.7 7.8 109.3 72 72 A L < - 0 0 62 -3,-1.1 2,-0.2 -6,-0.4 -5,-0.0 -0.483 48.0-174.7 -70.4 127.6 -0.5 6.0 110.3 73 73 A R - 0 0 143 -2,-0.3 3,-0.2 1,-0.1 8,-0.1 -0.462 19.6-128.1-111.0-173.2 1.0 3.8 107.5 74 74 A X S S+ 0 0 140 -2,-0.2 2,-2.6 1,-0.1 -1,-0.1 0.888 82.2 53.3-105.8 -77.0 4.0 1.4 107.5 75 75 A L S S+ 0 0 158 1,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.315 103.0 52.7 -75.2 63.9 6.9 1.7 105.0 76 76 A T S S- 0 0 76 -2,-2.6 -1,-0.1 -3,-0.2 3,-0.1 -0.180 99.1 -75.7-146.3-106.9 7.9 5.3 105.5 77 77 A D >> - 0 0 29 -2,-0.1 4,-2.5 1,-0.1 3,-0.7 -0.743 26.3-127.9-175.2 120.2 8.8 7.1 108.8 78 78 A P H 3> S+ 0 0 47 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.782 108.9 47.4 -42.6 -44.7 6.4 8.3 111.5 79 79 A V H 3> S+ 0 0 10 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.877 112.9 47.7 -71.2 -40.4 7.8 11.9 111.6 80 80 A D H <> S+ 0 0 18 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.926 109.9 53.1 -64.4 -46.0 7.7 12.3 107.8 81 81 A Q H X S+ 0 0 20 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.837 107.4 52.1 -59.1 -36.8 4.1 11.0 107.6 82 82 A C H X S+ 0 0 0 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.899 109.6 48.6 -67.1 -43.3 3.0 13.5 110.3 83 83 A X H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.951 113.1 47.8 -57.4 -50.8 4.6 16.4 108.2 84 84 A A H X S+ 0 0 46 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.743 111.0 53.0 -64.6 -26.4 2.8 15.1 105.1 85 85 A Y H X S+ 0 0 75 -4,-1.4 4,-1.2 -5,-0.2 -1,-0.2 0.897 114.5 38.2 -75.0 -43.3 -0.5 14.8 107.0 86 86 A H H X S+ 0 0 4 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.851 115.7 51.3 -78.4 -35.1 -0.5 18.4 108.4 87 87 A L H X S+ 0 0 12 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.793 108.0 55.1 -69.8 -29.2 0.9 19.9 105.2 88 88 A G H X S+ 0 0 24 -4,-0.8 4,-2.3 -5,-0.3 -1,-0.2 0.877 100.8 58.4 -64.5 -39.9 -1.9 18.0 103.4 89 89 A R H X S+ 0 0 59 -4,-1.2 4,-1.5 1,-0.2 -2,-0.2 0.750 101.4 55.7 -62.5 -26.2 -4.4 19.7 105.7 90 90 A V H X S+ 0 0 0 -4,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.913 107.6 48.2 -69.0 -45.7 -3.1 23.1 104.4 91 91 A R H >< S+ 0 0 115 -4,-1.3 3,-0.5 1,-0.2 -2,-0.2 0.908 112.0 50.2 -58.0 -45.8 -3.9 21.9 100.8 92 92 A E H 3< S+ 0 0 153 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.855 109.6 49.7 -61.4 -40.1 -7.4 20.8 101.9 93 93 A S H 3< S+ 0 0 40 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.600 117.4 40.8 -81.2 -13.5 -8.1 24.1 103.7 94 94 A L X< + 0 0 1 -4,-1.0 3,-1.2 -3,-0.5 -1,-0.3 -0.514 68.1 154.2-127.5 65.0 -7.1 26.2 100.6 95 95 A P T 3 + 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.706 63.5 69.3 -69.6 -19.9 -8.5 24.1 97.7 96 96 A E T 3 S+ 0 0 126 -3,-0.1 2,-0.2 2,-0.0 -5,-0.0 0.687 96.7 58.8 -69.2 -21.8 -8.8 27.1 95.4 97 97 A L S < S- 0 0 38 -3,-1.2 2,-0.6 -6,-0.2 -3,-0.1 -0.691 78.7-112.2-121.4 164.8 -5.0 27.6 94.9 98 98 A Q - 0 0 141 59,-0.3 2,-0.5 -2,-0.2 -2,-0.0 -0.825 31.8-174.4 -93.9 120.6 -1.8 25.9 93.8 99 99 A I - 0 0 9 -2,-0.6 2,-0.6 57,-0.2 57,-0.2 -0.959 12.7-158.5-122.6 113.1 0.7 25.1 96.6 100 100 A E E -C 155 0A 49 55,-3.1 55,-4.0 -2,-0.5 2,-0.5 -0.815 21.2-166.5 -87.4 120.2 4.1 23.7 95.8 101 101 A I E -C 154 0A 17 -2,-0.6 2,-0.5 53,-0.2 53,-0.2 -0.944 20.1-176.2-121.4 127.7 5.3 22.0 98.9 102 102 A I E -C 153 0A 4 51,-2.4 51,-1.9 -2,-0.5 2,-0.1 -0.901 16.5-160.9-120.9 98.1 8.8 20.8 99.8 103 103 A A E > -C 152 0A 1 -2,-0.5 3,-2.5 49,-0.2 49,-0.3 -0.346 35.1-101.7 -73.0 160.8 8.9 19.1 103.2 104 104 A D G > S+ 0 0 1 47,-2.8 3,-1.2 1,-0.3 48,-0.1 0.798 122.1 58.0 -55.6 -33.4 12.2 18.6 105.1 105 105 A Y G 3 S+ 0 0 50 46,-0.3 -1,-0.3 1,-0.2 218,-0.1 0.506 100.6 58.6 -75.8 -5.5 12.5 15.0 104.0 106 106 A E G < S+ 0 0 36 -3,-2.5 2,-0.8 1,-0.1 -1,-0.2 0.152 78.6 94.7-106.9 16.1 12.3 16.1 100.3 107 107 A X < + 0 0 15 -3,-1.2 -1,-0.1 218,-0.1 10,-0.1 -0.624 63.6 113.3-105.8 70.7 15.4 18.3 100.7 108 108 A H S > S- 0 0 18 -2,-0.8 3,-0.9 216,-0.1 216,-0.1 -0.874 72.2 -67.7-138.7 164.4 18.0 15.7 99.4 109 109 A P T 3 S+ 0 0 41 0, 0.0 214,-0.1 0, 0.0 -1,-0.1 -0.143 112.4 25.5 -55.8 151.0 20.3 15.1 96.5 110 110 A N T 3 S+ 0 0 74 1,-0.2 2,-0.4 211,-0.0 211,-0.1 0.655 100.8 103.6 69.0 20.0 18.9 14.4 93.0 111 111 A R < - 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0 0 96 -2,-0.5 -55,-0.1 -3,-0.1 -3,-0.1 -0.591 34.1-135.6 -75.0 111.8 17.1 29.8 127.0 201 211 A P - 0 0 13 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.020 10.7-132.6 -68.0 165.2 13.7 28.6 125.6 202 212 A Q S S+ 0 0 147 -59,-0.9 2,-0.3 1,-0.3 -58,-0.1 0.958 98.0 24.6 -76.5 -65.4 10.2 28.7 127.0 203 213 A E S S- 0 0 74 -56,-0.1 2,-0.3 3,-0.0 -1,-0.3 -0.769 77.1-164.6 -92.2 146.2 9.4 25.1 126.3 204 214 A R - 0 0 113 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.0 -0.827 37.6 -79.3-118.8 168.1 12.2 22.5 126.0 205 215 A Y - 0 0 21 -2,-0.3 -148,-0.1 4,-0.1 -58,-0.0 -0.509 50.4-130.4 -64.3 125.4 12.1 18.9 124.6 206 216 A S > - 0 0 47 -2,-0.3 4,-2.9 -150,-0.2 5,-0.2 -0.186 28.0 -98.0 -69.3 171.1 10.6 16.6 127.2 207 217 A E H > S+ 0 0 135 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.875 125.3 49.0 -63.3 -38.7 12.4 13.3 128.1 208 218 A E H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.854 113.4 48.1 -67.6 -36.2 10.2 11.2 125.7 209 219 A Q H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 112.2 48.6 -67.4 -45.0 10.9 13.7 122.9 210 220 A K H X S+ 0 0 55 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.908 112.4 48.8 -60.6 -45.6 14.6 13.7 123.6 211 221 A A H < S+ 0 0 54 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.906 110.9 51.4 -59.6 -44.5 14.7 9.9 123.6 212 222 A Y H >< S+ 0 0 68 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.910 113.7 40.9 -61.9 -47.4 12.7 9.8 120.4 213 223 A F H 3< S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.742 108.2 59.8 -80.0 -23.4 14.9 12.1 118.4 214 224 A S T 3< S+ 0 0 63 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.556 87.4 99.8 -76.3 -9.2 18.2 10.7 119.8 215 225 A T S < S- 0 0 77 -3,-0.7 -3,-0.0 -4,-0.5 -4,-0.0 -0.642 81.3-122.5 -78.5 129.9 17.1 7.4 118.3 216 226 A P - 0 0 96 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.631 45.0 -92.4 -71.0 125.6 18.7 6.5 114.9 217 227 A P S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 -0.152 81.8 123.6 -46.6 96.9 15.9 5.9 112.4 218 228 A A 0 0 86 -2,-0.5 0, 0.0 1,-0.1 0, 0.0 -0.908 360.0 360.0-157.5 123.6 15.3 2.1 112.7 219 229 A Q 0 0 218 -2,-0.3 -1,-0.1 0, 0.0 -142,-0.0 0.893 360.0 360.0 -83.8 360.0 11.9 0.4 113.6 220 !* 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 0.0 221 5 B V 0 0 181 0, 0.0 166,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.6 40.2 -8.4 102.2 222 6 B A + 0 0 36 1,-0.1 4,-0.3 3,-0.1 0, 0.0 0.868 360.0 125.7 48.5 44.4 37.7 -6.7 100.0 223 7 B E > + 0 0 110 2,-0.2 4,-1.1 3,-0.1 -1,-0.1 0.580 69.8 62.2 -91.8 -21.0 35.8 -9.9 99.3 224 8 B L H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.826 93.5 62.0 -71.0 -33.9 32.7 -8.0 100.5 225 9 B K H > S+ 0 0 49 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.881 103.5 48.9 -58.6 -41.6 33.2 -5.6 97.6 226 10 B Q H > S+ 0 0 116 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.833 110.1 51.6 -66.7 -35.5 32.6 -8.5 95.2 227 11 B K H X S+ 0 0 76 -4,-1.1 4,-0.7 2,-0.2 -2,-0.2 0.869 114.4 42.8 -68.4 -38.3 29.5 -9.5 97.1 228 12 B I H >X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 3,-0.5 0.922 113.2 52.8 -70.5 -46.1 28.2 -5.9 96.9 229 13 B E H 3X S+ 0 0 59 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.805 107.5 51.0 -59.4 -35.0 29.2 -5.6 93.2 230 14 B D H 3< S+ 0 0 120 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.728 113.0 46.9 -77.6 -22.1 27.4 -8.8 92.2 231 15 B T H << S+ 0 0 13 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.865 128.1 22.0 -77.9 -38.4 24.2 -7.6 93.9 232 16 B L H ><>S+ 0 0 2 -4,-2.1 3,-1.9 2,-0.1 5,-0.9 0.849 105.0 68.3-106.0 -44.0 24.3 -4.1 92.4 233 17 B C G ><5S+ 0 0 50 -4,-1.8 3,-2.1 1,-0.3 4,-0.3 0.843 92.3 62.1 -56.2 -44.0 26.4 -3.8 89.2 234 18 B P G 3 5S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.645 103.8 54.5 -53.2 -14.8 24.0 -5.8 86.9 235 19 B F G < 5S- 0 0 57 -3,-1.9 43,-0.2 2,-0.1 -2,-0.2 0.110 130.8 -87.9-111.5 19.3 21.4 -3.2 87.7 236 20 B G T < 5S+ 0 0 3 -3,-2.1 35,-2.8 1,-0.3 38,-0.5 0.768 85.7 130.1 82.4 28.4 23.4 -0.1 86.6 237 21 B F E < -F 270 0D 9 -5,-0.9 2,-0.4 -4,-0.3 -1,-0.3 -0.837 40.3-158.7-112.2 151.5 25.1 0.6 89.8 238 22 B E E -F 269 0D 36 31,-2.8 31,-2.9 -2,-0.3 2,-0.4 -0.962 9.6-156.2-122.8 146.4 28.8 1.3 90.6 239 23 B V E -F 268 0D 9 -2,-0.4 29,-0.2 29,-0.2 -10,-0.0 -0.983 8.1-173.5-130.6 136.3 30.4 0.8 94.1 240 24 B Y E -F 267 0D 53 27,-2.3 27,-3.4 -2,-0.4 2,-0.1 -0.993 16.4-137.4-131.5 128.4 33.5 2.4 95.6 241 25 B P E +F 266 0D 24 0, 0.0 2,-0.3 0, 0.0 25,-0.2 -0.386 27.8 162.8 -80.5 159.6 35.1 1.7 99.0 242 26 B F E -F 265 0D 1 23,-2.2 23,-1.7 -2,-0.1 2,-0.4 -0.969 36.8-108.6-165.7 161.7 36.5 4.2 101.5 243 27 B Q E >> -F 264 0D 15 -2,-0.3 4,-1.0 21,-0.2 3,-0.6 -0.780 25.0-132.4 -88.5 139.4 37.7 4.8 105.0 244 28 B V H 3> S+ 0 0 0 19,-1.7 4,-2.7 -2,-0.4 3,-0.4 0.843 105.6 67.6 -52.9 -36.1 35.5 7.0 107.3 245 29 B A H 3> S+ 0 0 37 16,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.889 95.6 50.9 -52.3 -49.1 38.8 8.8 108.2 246 30 B W H <4 S+ 0 0 34 -3,-0.6 4,-0.4 15,-0.3 -1,-0.2 0.819 112.8 48.2 -62.6 -33.1 39.2 10.2 104.7 247 31 B Y H >< S+ 0 0 2 -4,-1.0 3,-1.2 -3,-0.4 4,-0.3 0.961 114.3 43.2 -69.2 -54.0 35.7 11.6 104.8 248 32 B N H >< S+ 0 0 16 -4,-2.7 3,-2.5 1,-0.2 -2,-0.2 0.834 96.1 78.3 -62.2 -38.1 36.0 13.1 108.3 249 33 B E T 3< S+ 0 0 155 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.737 100.1 42.3 -38.5 -33.3 39.4 14.6 107.5 250 34 B L T < S+ 0 0 102 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.560 111.5 61.9 -97.0 -11.1 37.7 17.4 105.6 251 35 B L S < S- 0 0 25 -3,-2.5 5,-0.0 -4,-0.3 -4,-0.0 -0.783 80.6-106.5-123.1 157.1 34.8 18.1 108.0 252 36 B P >> - 0 0 30 0, 0.0 3,-2.7 0, 0.0 4,-0.8 -0.516 45.4 -99.6 -77.6 150.9 34.2 19.3 111.6 253 37 B P T 34 S+ 0 0 41 0, 0.0 -65,-0.2 0, 0.0 3,-0.2 0.680 122.8 65.6 -43.0 -24.7 33.0 16.7 114.2 254 38 B A T 34 S+ 0 0 2 -67,-1.2 76,-0.3 1,-0.2 -66,-0.1 0.878 109.6 35.6 -65.0 -39.3 29.5 18.0 113.7 255 39 B F T <4 S+ 0 0 52 -3,-2.7 -1,-0.2 -68,-0.2 77,-0.2 0.393 98.1 120.4 -93.1 0.3 29.5 16.6 110.1 256 40 B H < - 0 0 64 -4,-0.8 74,-0.2 -3,-0.2 -12,-0.0 -0.343 69.3-119.5 -67.0 143.1 31.6 13.6 111.2 257 41 B L - 0 0 5 -13,-0.2 2,-2.5 2,-0.1 -1,-0.1 -0.719 30.6-120.1 -79.1 133.1 30.4 10.1 110.8 258 42 B P S S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.318 77.0 102.6 -79.8 60.3 30.2 8.5 114.3 259 43 B L S S- 0 0 31 -2,-2.5 -2,-0.1 4,-0.1 4,-0.0 -0.976 84.0 -98.6-143.5 151.7 32.7 5.7 113.6 260 44 B P - 0 0 95 0, 0.0 126,-0.0 0, 0.0 -1,-0.0 0.732 53.5-116.0 -40.6 -47.5 36.4 5.0 114.5 261 45 B G S S+ 0 0 6 3,-0.0 -16,-3.1 -3,-0.0 -15,-0.3 -0.240 106.1 67.4 134.8 -51.9 38.0 6.1 111.2 262 46 B P S S+ 0 0 33 0, 0.0 125,-3.4 0, 0.0 2,-0.1 0.332 76.8 134.5 -72.7 6.9 39.5 2.9 109.7 263 47 B T E - G 0 386D 1 123,-0.2 -19,-1.7 1,-0.1 123,-0.2 -0.387 62.0-116.4 -66.2 129.1 35.9 1.9 109.4 264 48 B X E +F 243 0D 5 121,-2.2 118,-2.2 118,-0.5 2,-0.3 -0.429 40.9 173.3 -66.9 135.8 35.0 0.3 106.0 265 49 B A E -FG 242 381D 0 -23,-1.7 -23,-2.2 116,-0.2 2,-0.4 -0.989 19.1-145.5-144.8 151.3 32.4 2.2 103.9 266 50 B F E -FG 241 380D 0 114,-2.9 114,-2.8 -2,-0.3 2,-0.5 -0.959 4.5-148.8-124.6 141.0 31.0 2.0 100.4 267 51 B L E -FG 240 379D 0 -27,-3.4 -27,-2.3 -2,-0.4 2,-0.4 -0.926 16.8-153.9-106.8 122.3 29.8 4.7 98.0 268 52 B V E -FG 239 378D 2 110,-2.8 109,-2.3 -2,-0.5 110,-1.4 -0.847 13.5-175.5-105.2 131.2 26.9 3.7 95.7 269 53 B L E -FG 238 376D 1 -31,-2.9 -31,-2.8 -2,-0.4 2,-0.4 -0.955 17.2-141.8-129.6 136.3 26.5 5.3 92.3 270 54 B S E -FG 237 375D 1 105,-3.1 105,-2.0 -2,-0.4 -33,-0.2 -0.874 16.8-159.3-100.1 135.9 23.8 5.0 89.6 271 55 B T > - 0 0 10 -35,-2.8 3,-2.2 -2,-0.4 4,-0.4 -0.604 39.9 -93.0-102.6 165.4 24.8 5.1 85.9 272 56 B P T > S+ 0 0 5 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.776 122.3 65.5 -47.5 -30.3 22.6 5.9 82.8 273 57 B A T >> S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 3,-0.7 0.733 81.5 76.6 -67.1 -25.2 21.9 2.1 82.5 274 58 B X H <>>S+ 0 0 1 -3,-2.2 4,-2.7 -38,-0.5 5,-1.9 0.796 83.7 64.6 -62.1 -30.4 20.0 1.9 85.9 275 59 B F H <4>S+ 0 0 8 -3,-0.8 5,-2.3 -4,-0.4 -1,-0.2 0.930 116.0 28.6 -55.9 -46.2 16.9 3.5 84.5 276 60 B D H <45S+ 0 0 77 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.746 127.1 43.4 -90.6 -26.4 16.4 0.5 82.1 277 61 B R H <5S+ 0 0 139 -4,-2.3 -3,-0.2 -42,-0.1 -2,-0.2 0.796 133.0 9.4 -88.4 -31.3 18.1 -2.2 84.2 278 62 B A T X5S+ 0 0 2 -4,-2.7 4,-1.4 -5,-0.3 -3,-0.2 0.810 126.4 42.3-113.6 -60.2 16.6 -1.4 87.6 279 63 B L H >> S+ 0 0 59 0, 0.0 4,-0.8 0, 0.0 3,-0.5 0.795 111.8 56.0 -60.9 -27.0 11.7 -3.6 85.7 282 66 B F H >< S+ 0 0 7 -4,-1.4 3,-0.7 1,-0.2 6,-0.4 0.904 98.5 58.7 -67.8 -43.9 10.8 -2.4 89.2 283 67 B L T 3< S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.3 -3,-0.1 0.556 109.2 46.5 -65.8 -8.6 7.8 -0.4 88.0 284 68 B Q T <4 S+ 0 0 166 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.667 97.5 92.1-100.3 -24.3 6.3 -3.6 86.6 285 69 B S S X< S- 0 0 33 -4,-0.8 3,-1.5 -3,-0.7 -3,-0.0 -0.223 84.7-117.4 -76.5 159.5 7.0 -5.8 89.7 286 70 B C T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.1 0.391 107.6 79.3 -75.0 3.3 4.7 -6.5 92.7 287 71 B H T 3 S+ 0 0 87 -5,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.672 71.6 102.7 -78.3 -20.4 7.4 -4.8 94.8 288 72 B L < + 0 0 61 -3,-1.5 2,-0.2 -6,-0.4 -5,-0.0 -0.455 50.1 170.0 -68.4 131.2 5.9 -1.5 93.6 289 73 B R - 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0 0 85 -3,-1.9 3,-0.7 -7,-0.3 -3,-0.1 -0.827 69.2-165.0 -83.4 116.9 21.5 23.6 79.8 419 203 B W G > + 0 0 63 -2,-0.7 3,-1.3 1,-0.2 4,-0.3 0.262 63.4 103.7 -92.5 12.5 23.0 20.1 80.3 420 204 B T G > S+ 0 0 96 1,-0.3 3,-2.3 2,-0.2 -1,-0.2 0.870 73.2 68.9 -53.9 -35.1 26.1 20.9 78.1 421 205 B Y G X S+ 0 0 28 -3,-0.7 3,-1.3 1,-0.3 -1,-0.3 0.801 90.0 60.1 -55.2 -32.2 27.8 21.1 81.6 422 206 B R G < S+ 0 0 30 -3,-1.3 -50,-2.4 1,-0.3 3,-0.5 0.610 93.9 65.7 -70.8 -14.1 27.3 17.4 82.0 423 207 B D G < + 0 0 45 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.283 59.7 117.9 -93.2 8.8 29.4 16.8 78.9 424 208 B A S < S+ 0 0 31 -3,-1.3 2,-0.4 1,-0.1 -1,-0.2 0.769 89.6 34.6 -43.3 -34.0 32.5 18.2 80.7 425 209 B V S S- 0 0 20 -3,-0.5 -53,-0.2 -4,-0.1 -1,-0.1 -0.992 106.7-115.1-113.8 131.5 33.7 14.7 80.0 426 210 B T - 0 0 114 -2,-0.4 -55,-0.2 -55,-0.1 -3,-0.1 -0.579 44.0-133.6 -61.8 113.2 32.4 13.3 76.7 427 211 B P - 0 0 14 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.317 16.1-142.7 -77.4 156.3 30.2 10.5 78.1 428 212 B Q S S+ 0 0 140 -59,-1.7 2,-0.3 1,-0.3 -58,-0.1 0.873 94.4 11.4 -74.9 -44.2 30.0 6.8 77.0 429 213 B E - 0 0 102 -60,-0.3 -1,-0.3 -56,-0.1 2,-0.3 -0.974 69.0-163.5-132.0 147.3 26.3 6.9 77.6 430 214 B R - 0 0 121 -2,-0.3 2,-0.3 -3,-0.1 -59,-0.0 -0.764 44.1 -79.1-115.0 168.6 23.8 9.7 78.4 431 215 B Y - 0 0 20 -2,-0.3 -158,-0.1 1,-0.1 -57,-0.0 -0.547 53.8-120.9 -63.6 130.5 20.3 9.5 79.8 432 216 B S > - 0 0 48 -2,-0.3 4,-2.7 -160,-0.2 5,-0.2 -0.159 29.2 -97.8 -63.9 168.2 17.9 8.4 77.0 433 217 B E H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.864 125.9 54.9 -58.4 -37.8 15.0 10.7 76.1 434 218 B E H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.902 111.5 43.5 -61.3 -43.8 12.7 8.6 78.3 435 219 B Q H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.901 111.4 52.8 -71.0 -44.1 15.0 9.0 81.3 436 220 B K H X S+ 0 0 48 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.890 108.5 52.3 -54.6 -43.8 15.5 12.8 80.7 437 221 B A H X S+ 0 0 56 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.894 109.9 48.7 -60.0 -43.7 11.7 13.2 80.6 438 222 B Y H < S+ 0 0 40 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.924 114.5 42.9 -63.2 -49.2 11.3 11.4 83.9 439 223 B F H < S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.561 109.3 58.1 -81.3 -8.8 14.0 13.4 85.8 440 224 B S H < S+ 0 0 72 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.740 92.4 89.0 -79.9 -28.3 12.8 16.7 84.2 441 225 B T S < S- 0 0 55 -4,-1.0 5,-0.0 -3,-0.4 -4,-0.0 -0.537 89.4-111.0 -76.4 130.6 9.4 16.0 85.8 442 226 B P > - 0 0 53 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.343 24.3-122.5 -58.5 139.9 8.7 17.3 89.3 443 227 B P G > S+ 0 0 15 0, 0.0 3,-1.3 0, 0.0 -2,-0.1 0.790 110.9 58.8 -57.8 -35.8 8.4 14.5 92.0 444 228 B A G 3 S+ 0 0 58 1,-0.3 -3,-0.0 -343,-0.1 -344,-0.0 0.803 100.7 58.7 -63.6 -30.4 4.9 15.5 93.1 445 229 B Q G < S+ 0 0 113 -3,-1.1 2,-0.5 1,-0.1 -1,-0.3 -0.078 85.7 91.0 -89.0 31.9 3.9 15.0 89.4 446 230 B R < + 0 0 43 -3,-1.3 2,-0.3 -5,-0.0 -1,-0.1 -0.912 58.5 145.4-126.4 102.1 5.0 11.3 89.7 447 231 B L 0 0 138 -2,-0.5 -157,-0.1 1,-0.2 -154,-0.0 -0.989 360.0 360.0-151.2 128.3 2.0 9.4 90.8 448 232 B A 0 0 126 -2,-0.3 -1,-0.2 -159,-0.1 -159,-0.0 0.243 360.0 360.0 48.1 360.0 0.4 5.9 90.3