==== 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 20-NOV-07 2VHD . COMPND 2 MOLECULE: CYTOCHROME C551 PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.ECHALIER,T.BRITTAIN,J.WRIGHT,S.BOYCHEVA,G.B.MORTUZA,V.FULO . 646 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 4.3 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 0.3 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 . 33 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 2 2 1 0 3 3 1 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 7 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 D > 0 0 116 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 172.3 50.0 10.2 28.7 2 2 A A H > + 0 0 72 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.920 360.0 54.5 -59.0 -51.0 50.6 6.6 27.7 3 3 A L H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 110.5 47.6 -52.3 -49.0 47.4 5.2 29.1 4 4 A H H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 111.6 50.0 -56.2 -45.1 45.4 7.8 27.0 5 5 A D H X S+ 0 0 109 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.944 111.4 49.2 -58.1 -49.5 47.4 7.0 23.9 6 6 A Q H X S+ 0 0 70 -4,-2.8 4,-0.6 1,-0.2 3,-0.4 0.923 113.5 45.0 -58.6 -46.2 46.8 3.3 24.3 7 7 A A H >X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 3,-0.8 0.875 108.4 58.1 -66.0 -36.6 43.1 3.7 24.8 8 8 A S H 3< S+ 0 0 48 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.720 104.2 51.4 -69.3 -25.5 42.7 6.1 21.9 9 9 A A H 3< S+ 0 0 79 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.620 119.2 37.7 -81.8 -16.4 44.1 3.5 19.4 10 10 A L H << S+ 0 0 57 -3,-0.8 193,-3.1 -4,-0.6 2,-0.3 0.731 114.4 42.5-106.4 -28.2 41.6 1.0 20.7 11 11 A F B < -a 203 0A 5 -4,-2.4 193,-0.2 191,-0.2 -1,-0.1 -0.866 53.4-157.7-130.6 156.4 38.4 2.8 21.3 12 12 A K - 0 0 99 191,-0.5 2,-0.1 -2,-0.3 194,-0.1 -0.945 28.4-113.5-127.9 143.9 36.1 5.5 19.8 13 13 A P - 0 0 48 0, 0.0 191,-0.1 0, 0.0 192,-0.1 -0.427 35.2-100.8 -73.8 156.9 33.5 7.6 21.6 14 14 A I - 0 0 1 151,-0.2 153,-0.4 -2,-0.1 154,-0.1 -0.649 45.3-113.0 -72.2 130.3 29.7 7.3 21.0 15 15 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.238 21.5-115.9 -60.2 157.1 28.7 10.2 18.7 16 16 A E S S- 0 0 87 1,-0.2 2,-0.3 149,-0.1 148,-0.1 0.740 93.1 -6.7 -72.8 -20.2 26.4 12.8 20.2 17 17 A Q - 0 0 122 148,-0.1 2,-0.4 146,-0.1 -1,-0.2 -0.960 61.0-135.0-162.4 158.4 23.7 11.8 17.8 18 18 A V + 0 0 18 -2,-0.3 3,-0.1 144,-0.2 146,-0.1 -0.999 31.4 156.5-120.5 129.3 23.1 9.5 14.8 19 19 A T + 0 0 102 -2,-0.4 7,-1.9 1,-0.1 2,-0.3 0.101 58.5 61.9-135.2 16.4 21.2 11.1 11.9 20 20 A E E -B 25 0B 124 5,-0.3 2,-0.3 141,-0.1 -1,-0.1 -0.998 52.8-175.0-147.9 143.5 22.4 9.0 9.0 21 21 A L E > S-B 24 0B 38 3,-2.5 3,-0.6 -2,-0.3 137,-0.0 -0.937 74.9 -11.3-146.2 124.1 22.2 5.3 8.1 22 22 A R T 3 S- 0 0 141 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.855 131.6 -50.5 55.1 34.0 23.8 3.6 5.2 23 23 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.737 117.5 98.7 78.1 23.1 24.6 7.0 3.7 24 24 A Q E < S-B 21 0B 126 -3,-0.6 -3,-2.5 3,-0.0 -1,-0.2 -0.998 78.5 -98.7-138.2 147.5 21.3 8.7 3.9 25 25 A P E -B 20 0B 110 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.259 43.6-114.1 -49.1 134.0 19.5 11.1 6.3 26 26 A I - 0 0 31 -7,-1.9 2,-0.4 132,-0.1 3,-0.0 -0.648 33.2-121.2 -68.5 129.3 17.3 9.3 8.7 27 27 A S > - 0 0 29 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.690 14.3-151.6 -71.5 127.0 13.8 10.4 7.8 28 28 A E H > S+ 0 0 153 -2,-0.4 4,-1.8 2,-0.2 5,-0.2 0.754 98.5 58.3 -78.4 -19.1 12.2 12.0 10.9 29 29 A Q H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 111.7 44.2 -64.9 -42.2 8.8 11.0 9.7 30 30 A Q H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 129,-0.3 0.883 110.8 53.7 -68.9 -39.5 10.3 7.5 9.9 31 31 A R H X S+ 0 0 80 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.877 111.8 44.6 -59.2 -40.4 12.0 8.1 13.2 32 32 A E H X S+ 0 0 69 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.815 113.4 49.4 -82.2 -30.6 8.7 9.2 14.8 33 33 A L H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.937 109.6 52.9 -68.0 -46.8 6.7 6.4 13.3 34 34 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 121,-0.4 -2,-0.2 0.832 104.7 56.3 -54.4 -38.8 9.3 3.9 14.5 35 35 A K H X S+ 0 0 15 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.922 108.3 46.1 -63.1 -43.3 9.0 5.3 18.0 36 36 A K H < S+ 0 0 49 -4,-1.4 4,-0.5 1,-0.2 3,-0.3 0.889 113.3 50.9 -61.9 -39.3 5.2 4.6 18.1 37 37 A L H >< S+ 0 0 1 -4,-2.3 3,-0.8 1,-0.2 14,-0.4 0.883 103.7 57.3 -68.6 -38.5 5.9 1.1 16.7 38 38 A F H 3< S+ 0 0 0 -4,-2.3 14,-1.6 1,-0.2 13,-0.7 0.785 116.6 35.3 -60.9 -32.6 8.5 0.4 19.4 39 39 A F T 3< S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.325 89.5 107.9-103.9 2.8 6.0 1.0 22.2 40 40 A D X - 0 0 3 -3,-0.8 3,-1.4 -4,-0.5 11,-0.2 -0.745 48.6-167.2 -88.4 110.7 2.9 -0.3 20.5 41 41 A P G > S+ 0 0 11 0, 0.0 3,-1.2 0, 0.0 8,-0.7 0.567 78.2 79.3 -75.1 -2.7 1.9 -3.6 22.2 42 42 A R G 3 S+ 0 0 17 1,-0.3 83,-0.1 5,-0.2 8,-0.1 0.502 72.6 76.9 -83.9 -7.5 -0.6 -4.4 19.3 43 43 A L G < S+ 0 0 0 -3,-1.4 2,-0.3 -6,-0.2 -1,-0.3 0.564 90.0 72.7 -67.7 -14.3 2.3 -5.5 17.2 44 44 A S S < S- 0 0 0 -3,-1.2 3,-0.4 5,-0.3 72,-0.2 -0.765 91.7-125.2-100.8 150.0 2.1 -8.6 19.4 45 45 A R S S+ 0 0 61 70,-1.9 277,-1.8 -2,-0.3 71,-0.1 0.850 112.9 47.4 -62.4 -35.3 -0.8 -11.1 19.0 46 46 A S S S- 0 0 9 69,-0.5 -1,-0.2 275,-0.2 -4,-0.1 0.682 100.8-134.8 -79.1 -19.3 -1.7 -10.7 22.7 47 47 A H S S+ 0 0 11 -6,-0.5 -5,-0.2 -3,-0.4 -2,-0.1 0.661 86.3 92.6 72.5 18.2 -1.6 -6.9 22.6 48 48 A V + 0 0 24 -7,-0.2 2,-0.5 1,-0.1 -6,-0.1 0.530 69.5 69.0-120.9 -11.4 0.4 -7.0 25.8 49 49 A L + 0 0 12 -8,-0.7 -5,-0.3 66,-0.1 2,-0.2 -0.925 50.9 170.2-118.9 124.7 4.0 -7.1 24.6 50 50 A S >> - 0 0 9 -2,-0.5 3,-1.0 -7,-0.1 4,-0.7 -0.761 51.5-100.0-115.1 174.7 5.9 -4.2 22.9 51 51 A C H >> S+ 0 0 23 -13,-0.7 4,-1.2 -14,-0.4 3,-0.8 0.897 124.8 59.8 -55.8 -41.8 9.7 -4.0 22.0 52 52 A N H 34 S+ 0 0 8 -14,-1.6 -1,-0.2 1,-0.2 -13,-0.1 0.771 89.7 71.1 -59.7 -24.8 10.0 -1.8 25.2 53 53 A T H <4 S+ 0 0 45 -3,-1.0 3,-0.4 1,-0.2 -1,-0.2 0.940 115.0 24.2 -54.9 -46.3 8.7 -4.8 27.3 54 54 A C H << S+ 0 0 23 -3,-0.8 9,-1.0 -4,-0.7 -1,-0.2 0.508 130.6 44.0 -97.9 -4.5 11.9 -6.6 26.7 55 55 A H S < S- 0 0 34 -4,-1.2 7,-0.2 7,-0.3 -1,-0.2 -0.409 80.9-166.9-138.6 49.0 14.1 -3.6 26.0 56 56 A N > > - 0 0 14 -3,-0.4 5,-2.4 1,-0.2 3,-1.6 -0.208 13.9-154.7 -51.3 111.6 13.0 -1.2 28.7 57 57 A V G > 5S+ 0 0 2 1,-0.3 3,-0.5 4,-0.2 -1,-0.2 0.735 93.6 58.0 -63.7 -22.5 14.3 2.3 27.9 58 58 A G G 3 5S+ 0 0 2 1,-0.2 577,-2.7 576,-0.1 -1,-0.3 0.622 108.3 44.4 -79.5 -14.7 14.1 3.1 31.7 59 59 A T G X 5S- 0 0 13 -3,-1.6 3,-1.0 3,-0.2 -1,-0.2 -0.412 135.3 -70.1-127.7 52.5 16.4 0.3 32.8 60 60 A G T < 5S- 0 0 2 -3,-0.5 24,-0.4 1,-0.2 -3,-0.2 0.582 83.0 -71.3 75.4 13.4 19.3 0.5 30.2 61 61 A G T 3 - 0 0 2 4,-3.1 3,-2.0 -2,-0.6 4,-0.5 -0.150 42.6 -6.3-115.7-149.1 7.2 -13.5 26.0 71 71 A H G > S+ 0 0 2 43,-2.2 3,-1.2 1,-0.3 -1,-0.3 -0.160 131.4 4.2 -50.4 134.2 3.9 -14.7 24.7 72 72 A G G 3 S- 0 0 25 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.624 128.3 -68.4 62.0 21.2 2.1 -17.0 27.2 73 73 A W G < S+ 0 0 34 -3,-2.0 2,-0.6 1,-0.3 -1,-0.3 0.812 86.5 162.4 65.1 33.4 4.8 -16.4 29.9 74 74 A Q < - 0 0 81 -3,-1.2 -4,-3.1 -4,-0.5 2,-0.4 -0.767 30.0-147.8 -85.1 121.3 7.2 -18.3 27.7 75 75 A K B -C 69 0C 101 -2,-0.6 -6,-0.2 -6,-0.2 -7,-0.1 -0.735 18.2-137.5 -87.7 134.8 10.8 -17.6 28.8 76 76 A G - 0 0 17 -8,-2.2 -1,-0.1 -2,-0.4 38,-0.0 -0.141 21.3-103.2 -82.4 179.7 13.2 -17.8 25.9 77 77 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.744 94.2 57.1 -69.7 -27.3 16.7 -19.3 25.6 78 78 A R S S- 0 0 41 -10,-0.1 -10,-1.2 185,-0.0 2,-0.3 -0.765 76.8-115.9-125.4 153.3 18.5 -15.9 25.9 79 79 A N - 0 0 9 182,-3.9 -12,-0.2 -2,-0.3 184,-0.1 -0.594 44.2-119.6 -68.6 131.2 19.1 -12.7 27.8 80 80 A S - 0 0 11 -15,-0.4 -16,-0.4 -2,-0.3 -17,-0.3 -0.713 27.3-140.9 -82.7 127.0 17.8 -9.7 25.9 81 81 A P - 0 0 43 0, 0.0 2,-0.2 0, 0.0 -18,-0.1 -0.222 28.8 -86.8 -78.6 171.8 20.6 -7.3 25.1 82 82 A T - 0 0 28 1,-0.1 -20,-0.2 2,-0.1 -21,-0.2 -0.506 21.1-148.4 -75.2 146.6 20.2 -3.5 25.2 83 83 A V > + 0 0 9 -22,-0.9 3,-1.4 -2,-0.2 4,-0.3 0.550 68.4 110.3 -82.0 -12.2 18.9 -1.8 22.0 84 84 A F T 3 S- 0 0 4 -24,-0.4 80,-0.2 1,-0.3 -2,-0.1 -0.507 92.7 -0.0 -71.4 131.8 21.0 1.2 23.0 85 85 A N T > S+ 0 0 2 78,-2.9 3,-1.9 75,-0.3 4,-0.3 0.434 90.5 133.0 73.0 4.0 23.9 1.7 20.6 86 86 A A G X + 0 0 6 -3,-1.4 3,-1.7 77,-0.3 -2,-0.1 0.758 55.3 73.1 -59.0 -28.2 22.9 -1.4 18.7 87 87 A V G 3 S+ 0 0 28 -4,-0.3 -1,-0.3 73,-0.3 74,-0.1 0.730 92.7 55.8 -52.5 -31.1 23.3 0.5 15.3 88 88 A F G < S+ 0 0 43 -3,-1.9 -1,-0.3 116,-0.0 117,-0.2 0.524 82.9 105.1 -88.1 -5.9 27.1 0.4 15.6 89 89 A N S < S- 0 0 14 -3,-1.7 120,-0.2 -4,-0.3 119,-0.1 -0.464 75.7-129.7 -76.1 146.5 27.2 -3.4 16.0 90 90 A A S S- 0 0 58 118,-2.4 2,-0.3 1,-0.1 119,-0.1 0.773 88.6 -3.5 -68.4 -25.0 28.5 -5.3 12.9 91 91 A A S S- 0 0 6 117,-0.6 2,-0.3 -5,-0.1 8,-0.2 -0.948 80.6-106.1-157.5 169.1 25.5 -7.6 13.1 92 92 A Q B +D 98 0D 15 6,-3.9 6,-1.7 -2,-0.3 5,-0.2 -0.717 69.9 29.0-111.9 156.3 22.5 -8.2 15.4 93 93 A F S > S- 0 0 36 -2,-0.3 3,-2.5 3,-0.2 5,-0.1 0.291 96.2 -74.4 76.7 155.9 21.5 -10.9 18.0 94 94 A W T 3 S+ 0 0 28 1,-0.3 152,-2.7 2,-0.1 138,-0.2 0.687 137.5 41.8 -51.5 -23.2 23.9 -13.0 20.2 95 95 A D T 3 S- 0 0 7 150,-0.2 -1,-0.3 136,-0.1 -2,-0.1 0.225 109.0-120.3-110.9 14.0 24.7 -15.0 17.0 96 96 A G < + 0 0 8 -3,-2.5 -4,-0.2 -5,-0.1 -3,-0.2 0.692 64.0 145.5 53.1 28.6 24.9 -12.1 14.5 97 97 A R + 0 0 113 -5,-0.2 2,-0.5 -6,-0.1 -4,-0.2 0.516 53.5 66.1 -79.0 -6.7 22.1 -13.7 12.5 98 98 A A B -D 92 0D 6 -6,-1.7 -6,-3.9 1,-0.1 6,-0.1 -0.978 69.7-151.1-119.0 130.1 20.6 -10.3 11.5 99 99 A K S S- 0 0 159 -2,-0.5 2,-0.3 -8,-0.2 -1,-0.1 0.861 75.5 -12.2 -61.5 -42.8 22.5 -7.9 9.2 100 100 A D S > S- 0 0 27 -9,-0.1 4,-2.1 -8,-0.0 -8,-0.1 -0.854 78.3 -84.7-152.0-177.7 21.0 -4.8 10.7 101 101 A L H > S+ 0 0 5 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.823 121.6 58.8 -67.9 -35.4 18.2 -3.5 12.9 102 102 A G H 4 S+ 0 0 1 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.961 112.4 38.0 -55.9 -57.7 15.8 -3.5 10.0 103 103 A E H >> S+ 0 0 86 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.831 113.6 58.9 -61.4 -34.4 16.2 -7.3 9.5 104 104 A Q H >< S+ 0 0 26 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.930 95.0 61.2 -64.6 -46.2 16.4 -7.8 13.3 105 105 A A T 3X S+ 0 0 5 -4,-2.3 4,-1.1 1,-0.3 -1,-0.2 0.674 94.4 66.3 -55.3 -21.5 12.9 -6.3 14.1 106 106 A K H <> S+ 0 0 33 -3,-0.8 4,-1.2 -4,-0.5 -1,-0.3 0.803 92.6 61.4 -74.6 -29.5 11.4 -9.0 12.0 107 107 A G H XX S+ 0 0 26 -3,-2.1 4,-1.2 -4,-0.5 3,-0.8 0.986 101.8 46.8 -57.0 -69.2 12.4 -11.7 14.4 108 108 A P H 34 S+ 0 0 21 0, 0.0 7,-1.7 0, 0.0 8,-0.5 0.835 107.8 56.4 -45.3 -45.7 10.5 -10.6 17.5 109 109 A I H 3< S+ 0 0 1 -4,-1.1 8,-3.4 1,-0.2 -64,-0.2 0.907 118.2 32.8 -55.7 -41.7 7.2 -10.0 15.8 110 110 A Q H << S+ 0 0 95 -4,-1.2 2,-0.4 -3,-0.8 -1,-0.2 0.487 89.4 113.7 -95.6 -8.9 7.1 -13.6 14.4 111 111 A N ><> - 0 0 47 -4,-1.2 5,-2.7 -3,-0.5 3,-1.5 -0.571 59.2-148.8 -73.9 122.3 8.9 -15.3 17.3 112 112 A S T 3 5S+ 0 0 62 -2,-0.4 -1,-0.2 1,-0.3 -38,-0.1 0.707 97.5 46.2 -67.4 -21.4 6.3 -17.6 19.0 113 113 A V T 3 5S+ 0 0 32 -43,-0.1 -1,-0.3 -40,-0.1 -43,-0.3 0.349 123.1 35.0-101.4 2.8 8.0 -17.2 22.4 114 114 A E T < 5S- 0 0 65 -3,-1.5 -43,-2.2 -44,-0.3 -40,-0.1 0.378 138.2 -17.7-115.0-102.2 8.2 -13.4 22.0 115 115 A M T 5S- 0 0 9 -7,-1.7 -70,-1.9 -45,-0.1 -69,-0.5 0.768 71.1-155.4 -85.2 -28.2 5.5 -11.4 20.2 116 116 A H < + 0 0 56 -5,-2.7 -6,-0.2 -8,-0.5 2,-0.2 0.880 46.8 123.0 58.3 45.6 3.9 -14.4 18.3 117 117 A S - 0 0 5 -8,-3.4 -1,-0.2 -9,-0.2 -73,-0.1 -0.464 49.5-133.1-117.3-168.7 2.5 -12.4 15.4 118 118 A T > - 0 0 55 -2,-0.2 4,-2.1 -75,-0.1 5,-0.2 -0.938 29.4-104.7-140.6 162.5 2.8 -12.6 11.6 119 119 A P H > S+ 0 0 41 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.887 121.3 50.5 -48.9 -45.0 3.4 -10.1 8.7 120 120 A Q H > S+ 0 0 151 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.895 109.9 49.0 -64.4 -45.5 -0.3 -10.4 7.8 121 121 A L H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 112.8 47.6 -63.1 -42.0 -1.6 -9.7 11.3 122 122 A V H X S+ 0 0 1 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.948 112.6 47.9 -62.6 -53.2 0.7 -6.7 11.7 123 123 A E H X S+ 0 0 45 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.925 113.5 48.7 -53.1 -47.3 -0.3 -5.2 8.3 124 124 A Q H X S+ 0 0 98 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.878 113.3 46.8 -63.2 -39.0 -4.0 -5.8 9.1 125 125 A T H >< S+ 0 0 2 -4,-2.1 3,-0.5 2,-0.2 4,-0.3 0.949 116.8 42.1 -67.8 -51.3 -3.6 -4.2 12.6 126 126 A L H >< S+ 0 0 1 -4,-3.1 3,-1.5 1,-0.2 7,-0.4 0.910 113.4 52.4 -65.6 -44.2 -1.7 -1.1 11.3 127 127 A G H 3< S+ 0 0 38 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.691 99.5 64.8 -62.7 -20.2 -3.9 -0.6 8.2 128 128 A S T << S+ 0 0 11 -4,-0.8 189,-0.3 -3,-0.5 -1,-0.3 0.611 92.1 74.5 -78.2 -11.0 -7.0 -0.7 10.5 129 129 A I X> - 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0 0 17 71,-2.4 73,-0.1 -2,-0.6 2,-0.0 -0.811 15.7-115.5 -98.2 138.2 -0.7 5.7 20.2 312 312 A P - 0 0 16 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.298 36.9 -95.9 -66.5 146.9 -3.9 5.9 18.1 313 313 A A - 0 0 32 1,-0.1 -182,-0.2 -2,-0.0 266,-0.1 -0.344 36.1-109.8 -61.9 140.2 -7.1 4.1 19.1 314 314 A S - 0 0 49 265,-0.1 2,-0.2 267,-0.1 267,-0.1 -0.326 36.4-151.2 -55.9 151.0 -8.0 0.8 17.7 315 315 A T > - 0 0 52 4,-0.0 3,-1.6 -2,-0.0 -186,-0.1 -0.569 34.9 -80.6-121.4-176.6 -11.0 0.8 15.4 316 316 A E T 3 S+ 0 0 133 1,-0.3 -2,-0.0 -2,-0.2 274,-0.0 0.772 128.2 46.4 -61.8 -28.0 -13.7 -1.6 14.4 317 317 A T T 3 S+ 0 0 90 -189,-0.3 -1,-0.3 -192,-0.1 -188,-0.1 0.382 81.9 117.1 -98.6 4.1 -11.5 -3.5 12.0 318 318 A T S < S- 0 0 9 -3,-1.6 -193,-0.1 -190,-0.2 -192,-0.0 -0.556 74.9-111.8 -70.7 125.0 -8.5 -3.7 14.4 319 319 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.204 35.5-116.1 -60.4 155.3 -7.8 -7.4 15.1 320 320 A R - 0 0 120 1,-0.1 -273,-0.1 -3,-0.1 69,-0.1 -0.587 31.4 -88.2 -94.1 152.6 -8.5 -8.4 18.7 321 321 A P + 0 0 27 0, 0.0 2,-0.2 0, 0.0 -275,-0.2 -0.345 61.3 160.6 -50.4 136.6 -6.1 -9.7 21.4 322 322 A A 0 0 48 -277,-1.8 0, 0.0 1,-0.1 0, 0.0 -0.864 360.0 360.0-146.1 177.2 -5.8 -13.5 21.1 323 323 A E 0 0 139 -2,-0.2 -277,-0.1 -252,-0.1 -1,-0.1 0.706 360.0 360.0-100.5 360.0 -3.6 -16.6 22.0 324 !* 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 0.0 325 1 B D > 0 0 113 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 178.2 -27.9 28.7 24.7 326 2 B A H > + 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.853 360.0 52.4 -59.0 -41.3 -30.3 26.4 26.5 327 3 B L H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 111.3 48.5 -61.3 -42.2 -28.3 23.2 25.7 328 4 B H H > S+ 0 0 25 -3,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.886 111.0 49.1 -65.0 -41.2 -25.2 24.8 27.0 329 5 B D H X S+ 0 0 108 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.853 111.0 50.9 -65.0 -36.7 -26.9 25.9 30.2 330 6 B Q H < S+ 0 0 59 -4,-2.3 4,-0.5 -5,-0.2 3,-0.2 0.932 112.5 46.6 -66.8 -47.2 -28.3 22.4 30.7 331 7 B A H >X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 3,-1.2 0.889 108.2 55.2 -59.4 -45.6 -24.8 20.9 30.2 332 8 B S H 3< S+ 0 0 46 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.809 103.4 57.9 -59.4 -31.3 -23.1 23.5 32.6 333 9 B A T 3< S+ 0 0 83 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.634 119.8 26.3 -70.8 -20.1 -25.6 22.4 35.4 334 10 B L T <4 S+ 0 0 61 -3,-1.2 193,-2.5 -4,-0.5 2,-0.3 0.678 117.0 52.2-117.3 -27.2 -24.5 18.8 35.2 335 11 B F B < -i 527 0H 1 -4,-2.7 193,-0.2 191,-0.2 -1,-0.1 -0.855 52.4-167.4-122.5 151.0 -20.9 18.7 34.0 336 12 B K - 0 0 121 191,-0.7 194,-0.1 -2,-0.3 159,-0.1 -0.979 27.4-110.8-131.8 144.1 -17.6 20.4 34.9 337 13 B P - 0 0 42 0, 0.0 191,-0.1 0, 0.0 192,-0.1 -0.331 32.7-104.4 -68.3 151.1 -14.3 20.5 32.9 338 14 B I - 0 0 1 151,-0.2 153,-0.4 190,-0.1 154,-0.1 -0.650 45.2-112.9 -64.6 131.9 -11.1 18.7 33.9 339 15 B P - 0 0 52 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.270 21.8-112.9 -65.1 159.2 -8.7 21.3 35.4 340 16 B E S S- 0 0 96 1,-0.1 2,-0.3 149,-0.1 148,-0.1 0.816 92.9 -10.2 -67.4 -35.1 -5.5 22.1 33.4 341 17 B Q - 0 0 126 148,-0.1 2,-0.4 146,-0.1 -1,-0.1 -0.946 60.5-128.3-152.8 171.4 -3.5 20.6 36.2 342 18 B V + 0 0 19 -2,-0.3 3,-0.1 144,-0.1 146,-0.1 -0.995 33.4 155.2-128.4 121.9 -3.7 19.3 39.8 343 19 B T + 0 0 95 -2,-0.4 7,-3.0 1,-0.1 2,-0.3 0.366 62.4 55.7-125.4 -9.3 -1.1 20.7 42.2 344 20 B E E -J 349 0I 123 5,-0.3 2,-0.3 141,-0.1 -1,-0.1 -0.920 55.0-178.9-130.3 152.2 -3.1 20.1 45.5 345 21 B L E > S-J 348 0I 40 3,-2.7 3,-2.3 -2,-0.3 137,-0.0 -0.944 73.7 -3.1-155.8 131.8 -4.6 17.0 47.1 346 22 B R T 3 S- 0 0 142 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 0.861 129.4 -59.2 47.5 40.4 -6.5 16.7 50.3 347 23 B G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.474 119.1 107.3 72.5 2.6 -5.9 20.4 50.9 348 24 B Q E < S-J 345 0I 135 -3,-2.3 -3,-2.7 1,-0.0 -1,-0.2 -0.911 76.3-106.9-112.3 142.4 -2.1 19.8 50.8 349 25 B P E -J 344 0I 105 0, 0.0 2,-0.5 0, 0.0 -5,-0.3 -0.292 34.1-118.6 -54.6 140.9 0.4 20.8 48.0 350 26 B I - 0 0 24 -7,-3.0 2,-0.3 132,-0.1 3,-0.0 -0.766 30.1-127.9 -78.9 126.8 1.7 17.9 46.0 351 27 B S > - 0 0 32 -2,-0.5 4,-2.5 1,-0.1 5,-0.1 -0.634 3.1-139.9 -75.5 135.9 5.4 17.7 46.5 352 28 B E H > S+ 0 0 113 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.865 104.3 55.9 -56.1 -38.1 7.4 17.6 43.3 353 29 B Q H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.867 109.4 44.3 -66.4 -39.2 9.7 15.1 44.9 354 30 B Q H > S+ 0 0 44 2,-0.2 4,-2.6 109,-0.2 129,-0.3 0.894 114.5 50.5 -68.2 -44.0 6.8 12.7 45.7 355 31 B R H X S+ 0 0 50 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.950 112.2 46.0 -58.0 -51.3 5.4 13.2 42.3 356 32 B E H X S+ 0 0 64 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.803 114.3 48.4 -66.2 -29.4 8.7 12.5 40.6 357 33 B L H X S+ 0 0 3 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.886 107.3 55.8 -75.8 -41.2 9.3 9.4 42.8 358 34 B G H X S+ 0 0 0 -4,-2.6 4,-2.9 121,-0.4 -2,-0.2 0.846 104.5 54.3 -55.7 -40.4 5.8 8.2 42.1 359 35 B K H X S+ 0 0 10 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.885 107.3 49.8 -64.8 -38.7 6.5 8.3 38.3 360 36 B K H X S+ 0 0 47 -4,-1.1 4,-0.5 2,-0.2 3,-0.4 0.941 113.9 45.7 -62.2 -43.4 9.6 6.1 38.8 361 37 B L H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 14,-0.4 0.895 105.9 59.0 -69.0 -42.3 7.5 3.6 40.8 362 38 B F H 3< S+ 0 0 0 -4,-2.9 14,-1.6 1,-0.2 13,-1.3 0.822 115.9 35.9 -51.4 -36.3 4.7 3.6 38.3 363 39 B F H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.394 90.7 105.6-100.0 -2.5 7.1 2.5 35.7 364 40 B D X< - 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0 0 13 -3,-0.4 5,-2.3 1,-0.2 3,-1.6 -0.151 16.6-152.6 -56.8 115.7 -0.4 2.0 29.5 381 57 B V G > 5S+ 0 0 2 1,-0.3 3,-0.5 4,-0.2 -1,-0.2 0.754 94.7 58.9 -62.3 -18.7 0.1 5.8 29.2 382 58 B G G 3 5S+ 0 0 3 1,-0.2 -71,-2.4 -72,-0.1 -1,-0.3 0.655 107.2 44.6 -81.0 -15.8 0.3 5.4 25.4 383 59 B T G X 5S- 0 0 13 -3,-1.6 3,-1.1 3,-0.2 -1,-0.2 -0.416 133.9 -69.7-132.4 53.9 -3.1 3.9 25.0 384 60 B G T < 5S- 0 0 3 -3,-0.5 24,-0.4 1,-0.2 -3,-0.2 0.466 84.6 -72.0 79.7 2.6 -5.4 6.0 27.2 385 61 B G T 3 + 0 0 2 4,-2.4 3,-2.1 -2,-0.6 44,-0.3 -0.060 40.8 0.1-117.5-146.0 -0.7 -10.5 35.0 395 71 B H G > S+ 0 0 6 43,-1.6 3,-1.3 1,-0.3 -1,-0.3 -0.170 132.6 1.4 -52.5 130.0 1.8 -12.7 36.8 396 72 B G G 3 S- 0 0 29 1,-0.2 -1,-0.3 -3,-0.1 42,-0.0 0.720 127.1 -71.4 62.5 22.6 2.4 -16.0 35.0 397 73 B W G < S+ 0 0 25 -3,-2.1 2,-0.4 1,-0.2 -1,-0.2 0.749 84.5 164.2 62.7 29.1 0.1 -14.8 32.2 398 74 B Q < - 0 0 83 -3,-1.3 -4,-2.4 -4,-0.3 2,-0.3 -0.660 34.0-133.8 -76.6 124.7 -2.9 -15.2 34.5 399 75 B K B -K 393 0J 109 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.658 19.9-137.0 -78.4 133.2 -6.0 -13.4 33.2 400 76 B G - 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0 0 45 -4,-1.3 5,-2.7 -3,-0.3 3,-1.6 -0.518 59.0-146.1 -65.5 120.9 -2.6 -9.3 44.0 436 112 B S T 3 5S+ 0 0 59 -2,-0.4 -1,-0.1 1,-0.3 -38,-0.1 0.778 100.5 47.2 -58.5 -31.8 -1.6 -12.9 43.0 437 113 B V T 3 5S+ 0 0 30 -43,-0.1 -43,-0.3 -40,-0.1 -1,-0.3 0.446 123.5 32.4 -89.2 -0.1 -3.0 -12.4 39.4 438 114 B E T < 5S- 0 0 54 -3,-1.6 -43,-1.6 -44,-0.3 -5,-0.1 0.413 136.1 -13.2-116.8-102.9 -1.3 -9.0 39.0 439 115 B M T 5S- 0 0 9 -7,-1.7 -70,-2.2 -45,-0.1 -69,-0.4 0.753 70.5-152.9 -83.4 -20.4 2.1 -8.1 40.5 440 116 B H < + 0 0 56 -5,-2.7 -6,-0.2 -8,-0.4 -4,-0.1 0.816 50.7 121.4 57.0 36.8 2.3 -11.1 43.0 441 117 B S - 0 0 8 -8,-2.8 -1,-0.2 -9,-0.2 -73,-0.1 -0.272 51.2-132.5-116.4-161.9 4.5 -9.3 45.5 442 118 B T > - 0 0 50 -75,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.986 28.9-110.1-153.1 151.4 4.5 -8.2 49.2 443 119 B P H > S+ 0 0 44 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.862 120.9 52.6 -51.3 -35.4 5.2 -5.0 51.2 444 120 B Q H > S+ 0 0 148 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.916 109.6 46.5 -69.6 -43.5 8.3 -6.8 52.6 445 121 B L H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 112.8 50.9 -66.3 -40.3 9.6 -7.7 49.1 446 122 B V H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.928 111.9 46.5 -60.3 -45.8 8.9 -4.1 47.9 447 123 B E H X S+ 0 0 50 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.883 111.5 50.4 -68.9 -39.5 10.8 -2.6 50.8 448 124 B Q H X S+ 0 0 106 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.918 113.3 49.1 -57.2 -45.2 13.7 -4.9 50.4 449 125 B T H >< S+ 0 0 4 -4,-2.0 3,-0.6 2,-0.2 4,-0.3 0.945 116.3 38.6 -63.6 -53.5 13.7 -3.9 46.7 450 126 B L H >< S+ 0 0 1 -4,-2.9 3,-1.3 1,-0.2 7,-0.4 0.891 113.4 56.3 -65.7 -41.6 13.6 -0.1 47.3 451 127 B G H 3< S+ 0 0 41 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.691 100.7 61.3 -60.0 -20.0 16.0 -0.3 50.3 452 128 B S T << S+ 0 0 12 -4,-0.8 189,-0.3 -3,-0.6 -1,-0.2 0.576 91.8 70.8 -88.6 -13.3 18.6 -2.0 48.1 453 129 B I X> - 0 0 0 -3,-1.3 4,-2.2 -4,-0.3 3,-0.8 -0.941 69.8-153.2-111.3 110.6 19.0 0.8 45.6 454 130 B P H 3> S+ 0 0 82 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.843 95.7 57.7 -51.6 -41.2 20.8 3.9 47.0 455 131 B E H 3> S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.891 109.7 45.3 -57.6 -39.2 19.1 6.2 44.6 456 132 B Y H <> S+ 0 0 1 -3,-0.8 4,-2.6 -6,-0.2 5,-0.3 0.923 111.2 51.4 -70.1 -47.8 15.7 5.0 45.9 457 133 B V H X S+ 0 0 46 -4,-2.2 4,-2.2 -7,-0.4 -2,-0.2 0.954 114.1 44.7 -50.1 -53.4 16.8 5.3 49.6 458 134 B D H X S+ 0 0 81 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.928 112.6 51.7 -58.7 -44.4 17.9 8.9 48.9 459 135 B A H X S+ 0 0 31 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.850 111.4 46.0 -66.5 -38.7 14.8 9.8 47.0 460 136 B F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.3 0.863 108.6 56.7 -66.2 -39.8 12.5 8.5 49.7 461 137 B R H < S+ 0 0 157 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.869 115.6 37.3 -62.3 -33.0 14.5 10.3 52.3 462 138 B K H < S+ 0 0 131 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.756 118.2 48.3 -88.8 -28.2 13.9 13.6 50.4 463 139 B A H < S+ 0 0 2 -4,-1.8 -109,-0.2 1,-0.2 -2,-0.2 0.776 122.9 33.7 -80.0 -30.6 10.4 12.9 49.3 464 140 B F S >< S+ 0 0 13 -4,-2.5 3,-1.6 -5,-0.1 -1,-0.2 -0.512 70.3 154.5-125.7 64.0 9.3 11.9 52.8 465 141 B P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.527 72.8 53.1 -78.0 -5.9 11.4 14.1 55.1 466 142 B K T 3 S+ 0 0 203 -3,-0.1 2,-0.4 3,-0.1 -5,-0.1 0.288 87.3 104.6-107.6 5.8 8.9 13.9 58.0 467 143 B A < - 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