==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-JUN-05 1ZZH . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS; . AUTHOR L.DE SMET,S.N.SAVVIDES,E.VAN HOREN,G.PETTIGREW,J.J.VAN . 1210 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 746 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 6.8 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 0.2 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 . 72 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 148 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 328 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.7 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 1 7 4 0 8 4 6 4 4 2 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 . 13 4 5 0 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 ANTIPARALLEL BRIDGES PER LADDER . 5 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 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 4 A A > 0 0 120 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -54.4 -8.7 129.7 -76.5 2 5 A L H > + 0 0 40 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.858 360.0 54.0 -67.0 -34.5 -10.2 127.7 -73.6 3 6 A R H > S+ 0 0 42 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.888 103.9 53.8 -65.1 -40.3 -8.5 124.8 -75.2 4 7 A E H > S+ 0 0 136 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.940 113.0 44.1 -58.8 -46.3 -5.2 126.7 -75.1 5 8 A E H >< S+ 0 0 79 -4,-2.0 3,-1.1 1,-0.2 4,-0.4 0.927 114.9 47.4 -63.6 -47.9 -5.8 127.2 -71.3 6 9 A A H >X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.3 3,-1.8 0.877 105.2 60.2 -61.4 -40.1 -6.9 123.6 -70.8 7 10 A K H 3< S+ 0 0 106 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.708 100.5 56.9 -61.4 -20.1 -3.9 122.3 -72.7 8 11 A G T << S+ 0 0 64 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.589 115.3 35.5 -86.4 -12.3 -1.8 124.0 -70.1 9 12 A L T <4 S+ 0 0 60 -3,-1.8 180,-2.4 -4,-0.4 2,-0.3 0.647 118.4 32.2-114.4 -22.8 -3.4 122.1 -67.3 10 13 A F B < -a 189 0A 8 -4,-2.3 2,-0.3 178,-0.2 180,-0.3 -0.870 54.8-147.7-136.3 170.0 -4.1 118.6 -68.7 11 14 A E - 0 0 124 178,-0.9 2,-0.2 -2,-0.3 181,-0.1 -0.919 26.2-115.7-131.7 156.2 -2.9 115.9 -71.1 12 15 A V - 0 0 42 -2,-0.3 178,-0.1 145,-0.1 179,-0.1 -0.511 36.1-101.0 -88.6 160.0 -4.9 113.4 -73.1 13 16 A I - 0 0 3 138,-0.2 140,-0.6 -2,-0.2 141,-0.1 -0.730 43.9-124.3 -82.9 125.7 -4.7 109.7 -72.5 14 17 A P - 0 0 42 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.202 18.9-109.2 -67.0 162.4 -2.4 108.1 -75.2 15 18 A M S S+ 0 0 160 1,-0.3 2,-0.3 136,-0.1 135,-0.1 0.877 106.8 7.2 -56.9 -40.5 -3.4 105.3 -77.5 16 19 A Q S S- 0 0 150 0, 0.0 -1,-0.3 0, 0.0 132,-0.1 -0.988 88.5-107.0-146.7 134.7 -1.0 103.1 -75.5 17 20 A A 0 0 13 130,-0.8 130,-0.0 -2,-0.3 133,-0.0 -0.272 360.0 360.0 -58.5 145.4 1.0 103.8 -72.4 18 21 A P 0 0 160 0, 0.0 -1,-0.1 0, 0.0 129,-0.0 0.905 360.0 360.0 -63.2 360.0 4.7 104.3 -73.0 19 ! 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 20 29 A V >> 0 0 69 0, 0.0 3,-2.5 0, 0.0 4,-1.8 0.000 360.0 360.0 360.0 -85.5 8.5 89.6 -74.3 21 30 A T T 34 + 0 0 128 1,-0.3 104,-0.0 2,-0.2 2,-0.0 -0.089 360.0 34.6 -38.4 100.5 6.2 92.6 -74.4 22 31 A R T 3> S+ 0 0 46 103,-0.0 4,-3.9 0, 0.0 -1,-0.3 -0.608 119.5 47.7 143.7 -64.8 3.0 90.6 -74.9 23 32 A D H <> S+ 0 0 57 -3,-2.5 4,-1.9 2,-0.2 102,-0.3 0.763 111.2 55.1 -70.2 -22.6 4.0 87.6 -72.9 24 33 A K H X S+ 0 0 16 -4,-1.8 4,-1.6 2,-0.2 121,-0.4 0.892 113.1 40.8 -74.1 -39.7 5.0 90.2 -70.3 25 34 A I H > S+ 0 0 49 -5,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.900 113.7 53.4 -73.3 -42.4 1.4 91.6 -70.5 26 35 A D H X S+ 0 0 93 -4,-3.9 4,-2.0 2,-0.2 -2,-0.2 0.901 109.0 48.6 -60.1 -41.8 -0.1 88.1 -70.7 27 36 A L H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.934 111.7 50.6 -63.2 -44.4 1.7 87.1 -67.5 28 37 A G H X S+ 0 0 0 -4,-1.6 4,-3.4 113,-0.3 5,-0.2 0.907 106.0 55.2 -59.0 -43.7 0.5 90.3 -65.8 29 38 A A H X S+ 0 0 11 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.933 109.4 47.5 -55.4 -48.2 -3.0 89.6 -66.9 30 39 A M H X S+ 0 0 35 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.964 114.2 44.8 -58.7 -55.6 -2.9 86.2 -65.2 31 40 A L H >< S+ 0 0 2 -4,-2.5 3,-0.9 1,-0.2 14,-0.5 0.920 112.8 53.2 -55.3 -44.1 -1.4 87.5 -62.0 32 41 A F H 3< S+ 0 0 1 -4,-3.4 14,-2.0 1,-0.3 13,-0.7 0.873 116.9 37.6 -59.5 -38.4 -3.9 90.4 -62.0 33 42 A F H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.412 91.9 106.5 -95.3 2.0 -6.8 88.1 -62.4 34 43 A D X< - 0 0 0 -4,-0.9 3,-1.3 -3,-0.9 11,-0.2 -0.749 46.0-171.4 -90.7 114.2 -5.5 85.3 -60.1 35 44 A P G > S+ 0 0 6 0, 0.0 3,-1.3 0, 0.0 8,-0.5 0.593 81.6 75.0 -74.3 -13.2 -7.3 85.2 -56.7 36 45 A R G 3 S+ 0 0 33 1,-0.3 8,-0.1 6,-0.1 6,-0.1 0.540 78.8 73.7 -77.6 -4.7 -4.7 82.7 -55.5 37 46 A M G < S+ 0 0 24 -3,-1.3 2,-0.3 -6,-0.2 -1,-0.3 0.583 86.1 78.5 -81.8 -11.1 -2.3 85.7 -55.2 38 47 A S S X S- 0 0 26 -3,-1.3 3,-0.8 5,-0.3 261,-0.1 -0.758 91.9-120.9 -97.2 146.1 -4.3 86.7 -52.1 39 48 A K T 3 S+ 0 0 115 -2,-0.3 260,-1.6 1,-0.3 -1,-0.1 0.867 115.8 43.1 -51.4 -42.8 -3.7 85.0 -48.8 40 49 A S T 3 S- 0 0 39 258,-0.2 260,-0.3 259,-0.2 -1,-0.3 0.667 105.5-130.8 -79.0 -20.0 -7.3 83.9 -48.6 41 50 A G S < S+ 0 0 2 -3,-0.8 -5,-0.1 -6,-0.3 -2,-0.1 0.668 86.0 93.5 77.7 16.3 -7.4 82.9 -52.3 42 51 A V S S+ 0 0 46 1,-0.1 2,-0.5 -8,-0.1 -6,-0.1 0.672 70.3 67.2-110.1 -27.0 -10.6 84.9 -52.9 43 52 A F + 0 0 97 -8,-0.5 -5,-0.3 -9,-0.1 2,-0.3 -0.842 49.9 173.2-106.2 133.2 -9.2 88.3 -54.0 44 53 A S >> - 0 0 11 -2,-0.5 4,-0.9 -7,-0.1 3,-0.8 -0.774 51.7-101.4-120.3 164.8 -7.4 89.0 -57.3 45 54 A C H >> S+ 0 0 42 -13,-0.7 4,-2.6 -14,-0.5 3,-1.0 0.943 125.1 59.5 -52.5 -47.6 -6.5 92.5 -58.3 46 55 A Q H 34 S+ 0 0 14 -14,-2.0 -1,-0.3 1,-0.3 6,-0.2 0.817 92.4 67.8 -48.0 -39.3 -9.4 92.3 -60.7 47 56 A S H <4 S+ 0 0 38 -3,-0.8 3,-0.4 1,-0.2 -1,-0.3 0.920 117.9 20.3 -50.9 -49.7 -11.8 91.7 -57.7 48 57 A C H << S+ 0 0 24 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.631 131.0 46.3 -97.5 -17.0 -11.3 95.2 -56.3 49 58 A H S < S- 0 0 34 -4,-2.6 7,-0.2 -5,-0.2 -1,-0.2 -0.450 86.3-170.5-120.0 55.0 -10.1 96.8 -59.5 50 59 A N B > > -B 56 0B 11 6,-1.5 5,-2.1 -3,-0.4 3,-1.7 -0.272 20.5-151.9 -54.6 116.3 -12.8 95.3 -61.7 51 60 A V T 3 5S+ 0 0 3 1,-0.3 3,-0.3 4,-0.2 -1,-0.2 0.588 99.6 53.7 -66.8 -8.7 -12.0 95.9 -65.3 52 61 A G T 3 5S+ 0 0 3 -6,-0.2 1161,-1.3 1,-0.2 -1,-0.3 0.564 107.1 51.6 -99.9 -10.8 -15.8 95.8 -65.9 53 62 A L T X 5S- 0 0 18 -3,-1.7 3,-1.8 3,-0.3 5,-0.2 -0.429 130.2 -80.4-120.0 54.4 -16.5 98.4 -63.2 54 63 A G T 3 5S- 0 0 3 -3,-0.3 24,-0.3 1,-0.3 -3,-0.2 0.833 85.9 -66.3 53.0 30.5 -14.2 101.3 -64.2 55 64 A G T 3 - 0 0 80 36,-0.1 3,-1.2 1,-0.1 -1,-0.2 -1.000 64.6-135.7-140.7 139.3 -2.5 96.7 -49.4 66 75 A G T 3 S+ 0 0 65 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.842 104.6 60.7 -58.0 -36.9 -0.2 96.7 -46.4 67 76 A W T 3 S+ 0 0 108 -3,-0.1 -1,-0.3 2,-0.1 31,-0.0 0.717 79.4 119.5 -63.6 -22.9 0.6 100.4 -46.8 68 77 A Q < - 0 0 36 -3,-1.2 22,-0.0 1,-0.2 -5,-0.0 -0.117 58.3-150.6 -48.6 136.4 -3.1 101.2 -46.3 69 78 A K - 0 0 92 1,-0.3 -1,-0.2 20,-0.1 442,-0.1 0.255 70.0 -48.4 -93.0 9.9 -3.8 103.5 -43.4 70 79 A G S S- 0 0 20 -8,-0.1 -1,-0.3 2,-0.0 -8,-0.1 -0.820 97.5 -21.8 145.2 176.2 -7.3 101.9 -42.9 71 80 A P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.330 71.7 176.7 -55.1 123.9 -10.3 100.9 -45.0 72 81 A R B -C 62 0C 34 -10,-1.9 -10,-1.8 -2,-0.1 2,-0.5 -0.938 37.7 -98.2-132.7 154.4 -10.2 103.1 -48.1 73 82 A N - 0 0 9 165,-2.2 -12,-0.2 -2,-0.3 167,-0.1 -0.596 47.1-117.3 -73.6 118.7 -12.3 103.4 -51.2 74 83 A A - 0 0 7 -2,-0.5 -17,-0.3 -15,-0.2 -16,-0.2 -0.372 27.5-140.3 -62.2 121.2 -10.5 101.5 -54.0 75 84 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.441 30.6 -88.2 -79.7 155.8 -9.3 103.8 -56.8 76 85 A T - 0 0 14 150,-0.2 -20,-0.2 1,-0.2 -21,-0.2 -0.339 20.0-148.0 -65.9 144.8 -9.6 102.7 -60.5 77 86 A A > + 0 0 4 -22,-0.8 3,-2.0 2,-0.1 4,-0.4 0.695 69.2 112.6 -82.4 -21.4 -6.7 100.8 -61.9 78 87 A L T 3 S- 0 0 3 1,-0.3 72,-0.3 -24,-0.3 -2,-0.1 -0.348 98.3 -10.7 -57.4 116.7 -7.5 102.5 -65.2 79 88 A N T > S+ 0 0 1 70,-3.3 3,-2.4 67,-0.4 4,-0.3 0.458 94.2 133.1 71.8 1.2 -4.7 104.9 -66.1 80 89 A A G X + 0 0 22 -3,-2.0 3,-1.5 69,-0.4 -2,-0.1 0.751 58.1 73.0 -53.9 -24.2 -3.3 104.4 -62.6 81 90 A V G 3 S+ 0 0 45 -4,-0.4 -1,-0.3 65,-0.3 66,-0.1 0.786 92.4 54.9 -63.2 -26.6 0.1 103.9 -64.3 82 91 A F G < S+ 0 0 42 -3,-2.4 2,-0.3 108,-0.0 -1,-0.3 0.508 83.3 108.2 -85.5 -5.6 0.2 107.6 -65.0 83 92 A N < - 0 0 14 -3,-1.5 112,-0.2 -4,-0.3 3,-0.1 -0.555 45.7-172.5 -76.3 136.1 -0.3 108.6 -61.4 84 93 A V S S+ 0 0 97 110,-1.6 2,-0.7 -2,-0.3 111,-0.2 0.764 83.2 53.3 -93.1 -32.7 2.8 110.1 -59.6 85 94 A A + 0 0 2 109,-2.2 -1,-0.2 1,-0.1 111,-0.1 -0.908 67.5 171.2-102.6 109.4 1.0 110.1 -56.3 86 95 A Q + 0 0 99 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.297 44.9 78.9-106.9 12.3 -0.4 106.6 -55.7 87 96 A F - 0 0 17 1,-0.1 136,-0.1 -19,-0.0 3,-0.1 -0.817 67.2-135.1-119.9 161.7 -1.6 106.5 -52.2 88 97 A W S S- 0 0 43 -2,-0.3 135,-2.9 1,-0.3 2,-0.3 0.887 75.3 -28.5 -78.4 -43.4 -4.7 107.7 -50.4 89 98 A D E +D 222 0D 5 133,-0.3 2,-0.3 108,-0.1 -1,-0.3 -0.980 66.5 122.1-166.0 171.0 -3.3 109.4 -47.4 90 99 A G E -D 221 0D 0 131,-1.8 131,-3.5 -2,-0.3 2,-0.4 -0.920 65.5 -40.0 152.3-175.9 -0.5 109.5 -44.9 91 100 A R E > -D 220 0D 65 -2,-0.3 4,-2.4 129,-0.3 5,-0.3 -0.692 55.3-124.3 -81.3 129.2 2.2 111.7 -43.4 92 101 A A H > S+ 0 0 39 127,-3.2 4,-2.2 -2,-0.4 5,-0.2 0.850 109.8 49.0 -37.8 -53.6 3.8 113.8 -46.1 93 102 A P H > S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.960 112.1 48.3 -54.6 -54.2 7.4 112.6 -45.3 94 103 A D H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.906 111.8 49.0 -51.5 -52.0 6.3 109.0 -45.3 95 104 A L H X S+ 0 0 4 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.853 107.5 55.1 -58.9 -39.4 4.5 109.2 -48.6 96 105 A A H < S+ 0 0 79 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.924 118.1 33.4 -61.9 -45.7 7.4 111.0 -50.3 97 106 A A H < S+ 0 0 92 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.772 110.4 67.4 -79.8 -27.1 9.8 108.2 -49.4 98 107 A Q H < 0 0 66 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.845 360.0 360.0 -62.0 -34.9 7.0 105.6 -49.7 99 108 A A < 0 0 82 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.697 360.0 360.0-103.2 360.0 6.8 106.2 -53.5 100 ! 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 0.0 101 118 A M 0 0 101 0, 0.0 -36,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -54.0 -1.9 92.7 -47.2 102 119 A N + 0 0 60 -38,-0.1 2,-0.6 1,-0.1 -64,-0.1 0.578 360.0 96.4-130.6 -53.7 -0.6 89.3 -45.8 103 120 A N S S- 0 0 25 -66,-0.1 -1,-0.1 4,-0.1 5,-0.1 -0.245 70.8-143.4 -50.0 96.7 0.9 87.1 -48.6 104 121 A T > - 0 0 64 -2,-0.6 4,-2.4 1,-0.1 3,-0.4 -0.126 26.3-102.8 -60.4 158.5 4.6 88.0 -48.3 105 122 A P H > S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.821 126.6 60.7 -53.7 -27.1 6.8 88.3 -51.4 106 123 A E H > S+ 0 0 135 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.950 105.6 43.9 -62.3 -52.3 7.9 84.8 -50.2 107 124 A N H > S+ 0 0 24 -3,-0.4 4,-3.7 2,-0.2 5,-0.2 0.930 113.2 51.4 -60.1 -50.2 4.4 83.4 -50.5 108 125 A L H X S+ 0 0 21 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.947 112.3 44.8 -53.1 -54.4 3.8 85.0 -53.9 109 126 A V H X S+ 0 0 34 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.894 115.2 49.8 -58.0 -40.4 7.0 83.8 -55.4 110 127 A A H X S+ 0 0 42 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.945 111.6 48.2 -62.8 -48.6 6.2 80.4 -53.9 111 128 A T H < S+ 0 0 10 -4,-3.7 4,-0.2 2,-0.2 -2,-0.2 0.947 117.6 40.0 -55.8 -55.3 2.7 80.4 -55.3 112 129 A V H >< S+ 0 0 0 -4,-3.2 3,-1.8 1,-0.2 6,-0.2 0.927 114.7 54.5 -60.3 -45.7 3.8 81.4 -58.8 113 130 A Q H 3< S+ 0 0 102 -4,-3.2 -2,-0.2 -5,-0.3 -1,-0.2 0.892 99.6 62.7 -54.1 -43.6 6.7 79.1 -58.5 114 131 A S T 3< S+ 0 0 16 -4,-3.1 180,-0.3 180,-0.2 181,-0.3 0.475 91.8 77.0 -64.7 -4.3 4.4 76.2 -57.7 115 132 A M X> - 0 0 0 -3,-1.8 4,-2.3 -4,-0.2 3,-0.7 -0.924 64.0-154.8-119.4 116.1 2.6 76.4 -61.1 116 133 A P H 3> S+ 0 0 92 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.849 100.0 56.5 -47.7 -41.1 4.1 75.0 -64.3 117 134 A G H 3> S+ 0 0 24 173,-0.4 4,-2.1 1,-0.2 5,-0.1 0.912 109.4 44.0 -59.4 -45.1 2.0 77.4 -66.2 118 135 A Y H <> S+ 0 0 0 -3,-0.7 4,-2.2 -6,-0.2 -1,-0.2 0.816 110.3 57.6 -69.0 -31.9 3.4 80.4 -64.3 119 136 A V H X S+ 0 0 58 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.944 113.2 36.9 -64.8 -48.5 6.9 78.9 -64.7 120 137 A E H X S+ 0 0 109 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.832 114.6 58.0 -73.5 -30.0 6.7 78.8 -68.5 121 138 A A H X S+ 0 0 15 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.871 108.3 44.9 -66.2 -38.4 4.8 82.1 -68.5 122 139 A F H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.822 108.9 59.2 -73.1 -31.7 7.6 83.8 -66.6 123 140 A A H < S+ 0 0 46 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.943 109.0 42.2 -60.7 -50.0 10.0 82.2 -69.0 124 141 A K H < S+ 0 0 109 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.906 115.4 50.6 -64.1 -42.2 8.4 83.8 -72.0 125 142 A A H < S+ 0 0 6 -4,-1.9 -1,-0.2 -102,-0.3 -2,-0.2 0.801 122.5 30.4 -67.0 -31.8 8.1 87.1 -70.2 126 143 A F S >< S- 0 0 40 -4,-2.2 3,-1.2 1,-0.1 -1,-0.3 -0.611 77.3-171.7-133.0 74.0 11.7 87.2 -69.1 127 144 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.680 73.1 29.9 -30.4 -58.0 13.8 85.3 -71.8 128 145 A G T 3 S+ 0 0 86 4,-0.0 2,-0.4 2,-0.0 -5,-0.1 -0.100 84.7 116.2-112.1 42.2 17.3 85.0 -70.4 129 146 A Q < - 0 0 50 -3,-1.2 -3,-0.1 -6,-0.2 4,-0.1 -0.859 53.1-148.9-108.8 141.7 17.1 84.8 -66.6 130 147 A K S S+ 0 0 117 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.774 103.9 23.2 -74.6 -27.9 18.1 81.8 -64.5 131 148 A D S S+ 0 0 70 1,-0.1 -1,-0.3 -8,-0.0 -8,-0.0 -0.457 70.7 162.4-133.8 59.8 15.4 82.6 -61.9 132 149 A P + 0 0 22 0, 0.0 2,-1.5 0, 0.0 5,-0.1 0.743 60.4 85.9 -54.0 -20.6 12.9 84.7 -63.9 133 150 A I + 0 0 16 -3,-0.1 2,-0.3 4,-0.1 -20,-0.1 -0.660 60.7 132.2 -86.6 90.4 10.4 84.0 -61.1 134 151 A S > - 0 0 35 -2,-1.5 4,-2.8 1,-0.1 3,-0.5 -0.976 69.2-113.5-136.4 148.1 11.3 86.8 -58.7 135 152 A F H > S+ 0 0 86 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.875 117.2 56.4 -48.9 -42.0 9.0 89.2 -56.8 136 153 A D H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.923 109.7 42.8 -57.9 -47.6 10.4 92.0 -58.8 137 154 A N H > S+ 0 0 28 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.897 109.4 59.5 -65.1 -38.2 9.5 90.4 -62.1 138 155 A F H X S+ 0 0 17 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.934 110.6 42.0 -53.0 -48.7 6.2 89.5 -60.6 139 156 A A H X S+ 0 0 36 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.929 111.8 54.2 -64.4 -48.0 5.6 93.2 -60.1 140 157 A L H X S+ 0 0 101 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.866 109.0 49.3 -54.7 -41.0 7.0 94.2 -63.5 141 158 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -113,-0.3 0.934 112.3 46.0 -64.9 -48.3 4.6 91.8 -65.2 142 159 A V H X S+ 0 0 23 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.898 112.5 53.5 -60.5 -38.6 1.6 93.1 -63.3 143 160 A E H X S+ 0 0 96 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.927 105.2 53.3 -61.3 -46.5 2.9 96.5 -64.1 144 161 A A H < S+ 0 0 27 -4,-2.6 4,-0.4 1,-0.2 3,-0.2 0.936 111.6 45.3 -54.5 -51.0 3.0 95.7 -67.8 145 162 A F H >X S+ 0 0 6 -4,-2.3 3,-2.8 -121,-0.4 4,-0.7 0.935 107.8 56.6 -60.2 -47.2 -0.6 94.6 -67.8 146 163 A E H >< S+ 0 0 43 -4,-2.7 3,-1.3 1,-0.3 -67,-0.4 0.850 98.1 62.4 -54.1 -34.2 -1.7 97.6 -65.8 147 164 A A T 3< S+ 0 0 32 -4,-1.9 -130,-0.8 1,-0.3 -1,-0.3 0.677 98.3 59.2 -64.6 -15.4 -0.2 99.8 -68.6 148 165 A T T <4 S+ 0 0 50 -3,-2.8 2,-1.8 -4,-0.4 -1,-0.3 0.726 86.1 80.5 -82.5 -26.3 -2.8 98.1 -70.7 149 166 A L << + 0 0 1 -3,-1.3 -70,-3.3 -4,-0.7 -69,-0.4 -0.474 64.4 127.2 -85.7 68.0 -5.6 99.4 -68.5 150 167 A I - 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0 0 72 1,-0.2 4,-1.9 -10,-0.1 5,-0.1 -0.696 65.2-153.1 -85.3 126.2 -5.0 66.4 -53.9 1170 271 D L H > S+ 0 0 21 -2,-0.5 4,-2.6 1,-0.2 5,-0.3 0.942 96.5 57.5 -60.9 -48.0 -6.9 64.8 -56.7 1171 272 D R H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 107.8 48.1 -51.2 -40.4 -5.0 61.5 -56.3 1172 273 D E H > S+ 0 0 59 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.905 107.9 54.0 -69.5 -41.0 -6.2 61.4 -52.7 1173 274 D A H X S+ 0 0 8 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.909 110.8 46.6 -57.8 -43.7 -9.8 62.1 -53.7 1174 275 D V H X S+ 0 0 15 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.926 115.2 49.4 -62.9 -42.8 -9.6 59.2 -56.1 1175 276 D S H X S+ 0 0 30 -4,-2.1 4,-2.8 -5,-0.3 -2,-0.2 0.931 107.0 49.7 -63.7 -50.7 -8.1 57.2 -53.3 1176 277 D V H < S+ 0 0 9 -4,-3.7 -39,-0.5 1,-0.2 -1,-0.2 0.797 118.8 43.2 -61.8 -25.2 -10.5 57.9 -50.5 1177 278 D M H < S+ 0 0 48 -4,-1.3 6,-0.4 -5,-0.3 3,-0.4 0.854 112.8 49.3 -87.1 -38.8 -13.3 57.0 -52.9 1178 279 D A H < S+ 0 0 7 -4,-2.8 2,-2.2 1,-0.3 6,-1.1 0.959 107.0 56.9 -63.4 -50.7 -11.6 53.9 -54.4 1179 280 D N S < S+ 0 0 87 -4,-2.8 2,-0.3 -5,-0.2 -1,-0.3 -0.469 99.0 79.3 -84.2 67.5 -10.8 52.5 -51.0 1180 281 D S S > S- 0 0 22 -2,-2.2 3,-1.1 -3,-0.4 -42,-0.1 -0.930 100.2 -87.8-158.1 172.9 -14.5 52.6 -49.9 1181 282 D Q T 3 S+ 0 0 117 -44,-0.3 -4,-0.1 -2,-0.3 -3,-0.1 0.711 125.0 60.3 -64.0 -19.1 -17.6 50.5 -50.3 1182 283 D L T 3 S+ 0 0 64 -5,-0.2 -1,-0.3 2,-0.1 -4,-0.1 0.773 115.7 27.6 -79.3 -25.7 -18.3 52.6 -53.4 1183 284 D G S < S- 0 0 22 -3,-1.1 2,-0.3 -6,-0.4 -5,-0.2 0.281 83.3-117.3-105.0-130.4 -15.1 51.4 -55.0 1184 285 D A - 0 0 45 -6,-1.1 2,-0.6 2,-0.0 -4,-0.1 -0.942 46.2 -58.0-165.4 174.9 -12.9 48.4 -54.8 1185 286 D T + 0 0 136 -2,-0.3 2,-0.4 -6,-0.1 -6,-0.1 -0.559 59.3 171.3 -72.9 115.1 -9.5 47.4 -53.8 1186 287 D L - 0 0 15 -2,-0.6 2,-0.1 -11,-0.1 -3,-0.0 -0.973 20.2-143.9-126.0 138.3 -7.1 49.3 -55.9 1187 288 D D > - 0 0 84 -2,-0.4 4,-3.0 1,-0.0 5,-0.2 -0.320 40.9 -81.7 -89.8-176.6 -3.4 49.5 -55.4 1188 289 D D H > S+ 0 0 94 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.910 127.7 44.3 -52.0 -52.8 -1.1 52.3 -55.9 1189 290 D T H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.930 113.5 52.2 -59.7 -48.5 -0.7 52.0 -59.7 1190 291 D Q H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 112.1 44.9 -56.3 -47.4 -4.5 51.4 -60.2 1191 292 D V H X S+ 0 0 3 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.961 112.1 53.1 -61.5 -48.7 -5.3 54.5 -58.2 1192 293 D D H X S+ 0 0 61 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.2 0.846 109.7 49.6 -52.3 -39.1 -2.7 56.5 -60.1 1193 294 D Q H X S+ 0 0 31 -4,-2.6 4,-2.3 2,-0.2 -94,-0.4 0.862 108.2 50.4 -71.8 -39.3 -4.2 55.4 -63.3 1194 295 D I H X S+ 0 0 5 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.951 114.0 45.5 -65.1 -44.6 -7.7 56.3 -62.5 1195 296 D T H X S+ 0 0 25 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.843 110.7 54.8 -65.8 -29.7 -6.5 59.8 -61.4 1196 297 D A H < S+ 0 0 30 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.2 0.896 108.3 49.0 -67.9 -39.1 -4.4 59.8 -64.6 1197 298 D F H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.920 105.7 57.7 -65.8 -43.7 -7.7 59.2 -66.5 1198 299 D L H >< S+ 0 0 8 -4,-2.7 3,-2.1 1,-0.3 -42,-0.4 0.859 98.4 58.0 -57.1 -36.2 -9.4 61.9 -64.6 1199 300 D G G >< S+ 0 0 32 -4,-1.6 3,-1.1 1,-0.3 -1,-0.3 0.728 93.8 71.3 -66.0 -16.4 -6.9 64.5 -65.8 1200 301 D T G < S+ 0 0 3 -3,-1.7 -119,-2.5 -4,-0.5 -118,-0.3 0.533 83.9 70.1 -74.8 -6.0 -8.0 63.4 -69.2 1201 302 D L G < + 0 0 0 -3,-2.1 -47,-1.3 -4,-0.2 2,-0.6 0.311 66.4 112.9 -96.5 7.4 -11.3 65.2 -68.7 1202 303 D T < - 0 0 42 -3,-1.1 -122,-0.7 -49,-0.2 2,-0.2 -0.735 50.8-169.3 -83.4 119.9 -9.9 68.7 -68.9 1203 304 D G - 0 0 7 -2,-0.6 2,-0.3 -124,-0.2 -125,-0.2 -0.536 37.1 -64.6-105.7 174.9 -11.3 70.3 -72.0 1204 305 D E - 0 0 60 -127,-2.4 -1,-0.1 -2,-0.2 -125,-0.1 -0.404 58.4-127.5 -62.6 115.9 -10.6 73.5 -73.9 1205 306 D Q - 0 0 37 -2,-0.3 2,-0.2 -129,-0.1 -129,-0.1 -0.347 26.1-102.7 -65.2 142.8 -11.5 76.4 -71.5 1206 307 D P - 0 0 18 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.461 26.7-131.8 -69.2 135.3 -13.9 79.1 -72.8 1207 308 D E - 0 0 89 -2,-0.2 2,-0.5 -3,-0.1 -230,-0.1 -0.805 34.3-173.1 -86.8 112.0 -12.1 82.3 -73.8 1208 309 D V E -H 285 0G 11 -2,-0.8 -923,-4.1 -923,-0.6 2,-0.4 -0.948 20.5-144.9-118.9 125.8 -14.3 84.9 -72.1 1209 310 D V E -H 284 0G 77 -2,-0.5 -925,-0.3 -925,-0.3 -927,-0.0 -0.685 32.4-113.9 -80.9 130.2 -14.0 88.7 -72.5 1210 311 D H E -H 283 0G 5 -927,-3.6 -927,-0.5 -2,-0.4 -1,-0.1 -0.535 38.8-126.0 -66.1 117.2 -14.8 90.4 -69.2 1211 312 D P - 0 0 18 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.238 13.0-115.8 -64.8 153.1 -17.9 92.3 -70.1 1212 313 D I - 0 0 71 -1159,-0.1 -1159,-0.1 -932,-0.1 -1160,-0.1 -0.823 37.1-136.9 -90.1 106.7 -18.2 96.1 -69.5 1213 314 D L - 0 0 10 -1161,-1.3 -1159,-0.1 -2,-0.9 -257,-0.0 -0.359 21.6-102.4 -67.8 141.7 -20.9 96.3 -66.8 1214 315 D P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.298 42.2-100.5 -64.9 147.6 -23.6 99.0 -67.2 1215 316 D V - 0 0 71 1,-0.1 -173,-0.4 -1162,-0.0 -172,-0.2 -0.368 36.6-117.4 -69.3 146.5 -23.3 102.1 -65.0 1216 317 D R - 0 0 45 -176,-0.1 2,-0.2 -984,-0.1 -176,-0.1 -0.357 25.1-151.1 -80.3 162.6 -25.4 102.4 -61.8 1217 318 D S > - 0 0 31 -2,-0.1 3,-1.8 -178,-0.1 -178,-0.1 -0.752 36.4 -92.5-127.0 174.3 -28.0 105.1 -61.2 1218 319 D A T 3 S+ 0 0 74 1,-0.3 4,-0.1 -2,-0.2 -179,-0.0 0.757 126.3 55.2 -59.7 -25.0 -29.4 106.9 -58.2 1219 320 D Q T 3 S+ 0 0 144 -180,-0.3 -1,-0.3 2,-0.1 -180,-0.2 0.561 80.6 111.0 -85.3 -9.4 -32.2 104.2 -58.1 1220 321 D T S < S- 0 0 3 -3,-1.8 -184,-0.1 -181,-0.3 -4,-0.0 -0.530 80.7-111.0 -69.7 122.4 -29.6 101.4 -58.0 1221 322 D P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.246 35.8-119.2 -53.7 135.3 -29.8 99.7 -54.6 1222 323 D R - 0 0 120 1,-0.1 -256,-0.1 -4,-0.1 -1163,-0.1 -0.434 34.8 -88.6 -79.1 155.3 -26.7 100.4 -52.6 1223 324 D P - 0 0 29 0, 0.0 -258,-0.2 0, 0.0 -257,-0.1 -0.172 38.6-110.7 -60.9 157.5 -24.3 97.6 -51.4 1224 325 D E 0 0 52 -260,-1.2 -259,-0.1 -261,-0.1 -258,-0.1 0.956 360.0 360.0 -50.5 -94.5 -24.8 95.8 -48.1 1225 326 D H 0 0 139 -260,-0.0 -259,-0.0 -1165,-0.0 -260,-0.0 0.863 360.0 360.0 109.8 360.0 -22.1 96.6 -45.5