==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-DEC-11 4AAO . COMPND 2 MOLECULE: CYTOCHROME C551 PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACTER SULFURREDUCENS; . AUTHOR J.SEIDEL . 608 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 6.1 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 25 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 2 2 2 2 4 4 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 2 2 1 1 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 23 A E > 0 0 144 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 117.7 20.0 59.1 -38.8 2 24 A D H > + 0 0 105 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.918 360.0 52.3 -56.7 -48.3 17.4 56.5 -37.9 3 25 A V H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 110.0 47.9 -59.9 -47.9 19.9 54.7 -35.6 4 26 A M H > S+ 0 0 21 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.917 112.9 48.0 -55.4 -45.8 20.8 57.9 -33.8 5 27 A K H X S+ 0 0 152 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.887 111.2 49.7 -67.8 -41.2 17.1 58.8 -33.3 6 28 A R H X S+ 0 0 85 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.881 111.2 51.4 -61.4 -39.0 16.3 55.4 -32.0 7 29 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 3,-0.3 0.948 106.1 53.5 -64.3 -48.2 19.3 55.7 -29.6 8 30 A Q H < S+ 0 0 63 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.740 108.0 52.9 -58.4 -24.3 18.0 59.1 -28.3 9 31 A G H < S+ 0 0 8 -4,-1.2 521,-0.4 -5,-0.2 -1,-0.2 0.894 115.6 37.0 -73.9 -41.7 14.7 57.4 -27.6 10 32 A L H < S+ 0 0 24 -4,-1.6 187,-3.5 -3,-0.3 2,-0.3 0.749 120.9 31.5 -84.4 -24.2 16.1 54.5 -25.5 11 33 A F B < -a 197 0A 7 -4,-2.2 187,-0.2 185,-0.2 185,-0.1 -0.845 58.1-156.7-131.9 162.8 19.0 56.3 -23.6 12 34 A K - 0 0 23 185,-0.8 188,-0.1 -2,-0.3 2,-0.1 -0.979 31.3-103.1-137.9 154.3 19.8 59.7 -22.2 13 35 A P - 0 0 38 0, 0.0 185,-0.1 0, 0.0 186,-0.1 -0.372 38.0-102.5 -77.1 151.2 23.3 61.1 -21.4 14 36 A I - 0 0 3 145,-0.2 147,-0.4 -2,-0.1 148,-0.1 -0.685 41.2-124.8 -68.9 119.8 24.7 61.4 -17.9 15 37 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 144,-0.0 -0.332 5.8-133.1 -61.6 146.7 24.3 65.0 -16.7 16 38 A A S S+ 0 0 76 2,-0.1 142,-0.1 143,-0.1 -2,-0.0 0.874 87.0 80.3 -65.6 -41.3 27.4 66.8 -15.5 17 39 A K S S- 0 0 174 1,-0.1 3,-0.1 3,-0.0 139,-0.0 -0.492 94.1-109.9 -73.7 133.1 25.6 68.0 -12.4 18 40 A P - 0 0 64 0, 0.0 138,-0.1 0, 0.0 -1,-0.1 -0.439 43.0-110.6 -53.8 133.1 25.3 65.6 -9.4 19 41 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 136,-0.0 -0.421 30.5-112.4 -65.9 141.5 21.5 64.7 -9.3 20 42 A V - 0 0 116 -2,-0.1 2,-0.5 -3,-0.1 132,-0.0 -0.641 25.9-139.9 -67.0 134.9 19.7 66.2 -6.2 21 43 A M > - 0 0 28 3,-0.5 3,-1.5 -2,-0.3 2,-0.2 -0.884 21.1-122.2 -91.9 123.5 18.5 63.3 -3.8 22 44 A K T 3 S+ 0 0 118 -2,-0.5 383,-0.2 1,-0.2 0, 0.0 -0.506 97.0 11.8 -63.9 132.4 15.0 64.1 -2.4 23 45 A D T 3 S+ 0 0 113 -2,-0.2 -1,-0.2 381,-0.1 383,-0.0 0.431 119.9 76.3 75.5 4.6 15.1 64.2 1.4 24 46 A N < - 0 0 8 -3,-1.5 -3,-0.5 127,-0.0 -1,-0.0 -0.554 69.6-165.4-137.6 72.7 19.0 64.2 1.4 25 47 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 127,-0.1 -0.353 16.6-129.1 -75.1 144.4 20.2 67.7 0.4 26 48 A A + 0 0 72 4,-0.1 3,-0.1 126,-0.1 123,-0.0 -0.569 33.1 167.0 -86.3 144.1 23.8 68.0 -0.6 27 49 A S > - 0 0 45 -2,-0.2 4,-2.8 1,-0.1 3,-0.4 -0.906 47.6-104.6-149.3 153.5 25.9 70.7 1.1 28 50 A P H > S+ 0 0 119 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.916 120.7 46.2 -46.8 -53.3 29.7 71.1 1.1 29 51 A S H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 104,-0.2 0.826 113.8 48.3 -68.6 -27.7 30.2 69.9 4.5 30 52 A R H > S+ 0 0 29 -3,-0.4 4,-2.6 2,-0.2 123,-0.2 0.910 113.5 47.0 -75.2 -42.0 27.9 66.9 4.0 31 53 A V H X S+ 0 0 35 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.906 113.0 50.8 -60.9 -43.6 29.6 66.0 0.7 32 54 A E H X S+ 0 0 89 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.951 111.4 47.1 -57.9 -50.4 33.0 66.4 2.5 33 55 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.912 109.5 53.6 -60.2 -44.8 32.0 64.1 5.3 34 56 A G H X S+ 0 0 0 -4,-2.6 4,-1.9 115,-0.3 -1,-0.2 0.861 108.0 51.6 -56.3 -37.7 30.6 61.5 2.9 35 57 A R H X S+ 0 0 50 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.922 109.5 49.4 -69.3 -39.3 34.0 61.6 1.1 36 58 A M H >X S+ 0 0 15 -4,-2.1 3,-0.8 1,-0.2 4,-0.8 0.951 112.4 47.4 -62.5 -47.1 35.9 61.0 4.4 37 59 A L H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.3 14,-0.4 0.856 105.3 59.9 -62.9 -36.6 33.7 58.1 5.4 38 60 A F H 3< S+ 0 0 2 -4,-1.9 14,-1.4 1,-0.2 13,-0.9 0.834 114.8 33.9 -62.5 -31.3 34.0 56.6 2.0 39 61 A F H << S+ 0 0 10 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.412 91.9 108.2-107.5 1.6 37.8 56.2 2.3 40 62 A D X< - 0 0 0 -4,-0.8 3,-1.6 -3,-0.7 11,-0.2 -0.708 49.8-166.3 -85.8 110.4 37.9 55.6 6.1 41 63 A P G > S+ 0 0 39 0, 0.0 3,-1.8 0, 0.0 8,-0.7 0.618 78.9 82.4 -76.0 -5.3 38.7 51.9 6.7 42 64 A R G 3 S+ 0 0 25 1,-0.3 8,-0.1 5,-0.2 77,-0.1 0.586 72.2 76.7 -71.2 -6.0 37.6 52.3 10.3 43 65 A L G < S+ 0 0 14 -3,-1.6 2,-0.3 -6,-0.2 -1,-0.3 0.535 88.9 70.7 -76.4 -6.1 34.1 51.7 9.0 44 66 A S S X S- 0 0 4 -3,-1.8 3,-1.2 5,-0.2 67,-0.2 -0.871 92.1-124.3-102.9 149.8 35.1 48.0 8.9 45 67 A A T 3 S+ 0 0 8 65,-2.4 259,-2.4 -2,-0.3 66,-0.1 0.777 113.1 51.2 -60.9 -32.3 35.6 46.1 12.1 46 68 A S T 3 S- 0 0 21 64,-0.4 -1,-0.3 257,-0.3 -4,-0.1 0.645 103.5-132.5 -79.4 -13.3 39.2 45.1 11.0 47 69 A H S < S+ 0 0 30 -3,-1.2 -5,-0.2 -6,-0.5 -2,-0.1 0.612 87.2 89.7 66.9 19.8 40.0 48.8 10.3 48 70 A L + 0 0 137 -7,-0.2 2,-0.4 1,-0.1 -6,-0.1 0.652 69.1 69.8-114.2 -17.8 41.5 47.8 7.0 49 71 A I + 0 0 50 -8,-0.7 2,-0.2 61,-0.1 -5,-0.2 -0.892 52.2 174.2-116.9 121.1 38.6 47.9 4.5 50 72 A S >> - 0 0 18 -2,-0.4 3,-1.2 -7,-0.1 4,-0.8 -0.697 51.6 -96.7-110.5 176.9 36.9 51.1 3.2 51 73 A C H >> S+ 0 0 36 -13,-0.9 4,-2.5 -14,-0.4 3,-0.8 0.906 124.9 62.3 -58.5 -42.1 34.2 51.5 0.6 52 74 A N H 34 S+ 0 0 25 -14,-1.4 -1,-0.3 1,-0.2 6,-0.2 0.699 89.9 68.8 -57.5 -23.9 37.1 52.3 -1.8 53 75 A T H <4 S+ 0 0 61 -3,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.941 117.9 20.2 -61.3 -45.2 38.6 48.8 -1.3 54 76 A C H << S+ 0 0 25 -4,-0.8 2,-0.3 -3,-0.8 -2,-0.2 0.700 134.7 41.3 -99.1 -21.3 35.7 47.2 -3.2 55 77 A H S < S- 0 0 27 -4,-2.5 2,-0.4 -5,-0.2 7,-0.3 -0.619 82.9-173.1-123.4 73.7 34.5 50.3 -5.1 56 78 A N B > > -B 62 0B 47 6,-1.4 5,-2.4 -3,-0.3 3,-1.3 -0.458 20.1-154.0 -79.0 118.6 37.8 51.7 -6.0 57 79 A V G > 5S+ 0 0 22 -2,-0.4 3,-0.5 1,-0.3 -1,-0.2 0.767 96.5 56.6 -64.7 -15.9 37.5 55.1 -7.7 58 80 A G G 3 5S+ 0 0 62 1,-0.2 -1,-0.3 -6,-0.2 2,-0.1 0.711 108.5 46.3 -87.5 -13.7 40.8 54.4 -9.5 59 81 A L G X 5S- 0 0 73 -3,-1.3 3,-1.5 3,-0.3 5,-0.3 -0.472 132.3 -74.5-124.0 54.7 39.5 51.2 -11.1 60 82 A G T < 5S- 0 0 2 -3,-0.5 18,-0.4 1,-0.3 -3,-0.2 0.702 84.9 -66.7 65.5 20.9 36.0 52.1 -12.5 61 83 A G T 3 + 0 0 6 -16,-1.3 3,-1.5 2,-0.1 4,-0.4 0.616 69.3 108.0 -76.2 -20.0 29.7 53.1 -7.5 78 106 A L T 3 S- 0 0 2 -18,-0.4 80,-0.2 1,-0.3 -2,-0.1 -0.505 100.9 -8.8 -64.6 132.2 30.1 55.3 -10.5 79 107 A N T > S+ 0 0 1 78,-3.1 3,-2.9 75,-0.3 -1,-0.3 0.493 92.9 132.7 56.3 10.2 26.6 56.5 -11.6 80 108 A A G X + 0 0 27 -3,-1.5 3,-2.0 77,-0.3 -2,-0.1 0.818 61.0 72.5 -58.2 -24.9 25.0 54.1 -9.0 81 109 A V G 3 S+ 0 0 20 -4,-0.4 -1,-0.3 73,-0.3 322,-0.1 0.720 94.0 54.7 -62.8 -16.2 22.9 57.0 -8.0 82 110 A Y G < S+ 0 0 8 -3,-2.9 2,-0.4 321,-0.1 117,-0.3 0.422 84.0 104.9 -95.1 -0.7 21.0 56.5 -11.4 83 111 A N < - 0 0 16 -3,-2.0 120,-0.2 -4,-0.2 119,-0.1 -0.641 47.0-172.5 -75.4 131.8 20.2 52.8 -10.8 84 112 A I S S+ 0 0 21 118,-2.5 2,-0.5 -2,-0.4 119,-0.2 0.896 77.7 63.4 -84.9 -49.4 16.6 52.1 -9.9 85 113 A A - 0 0 6 117,-2.5 -1,-0.1 144,-0.1 119,-0.1 -0.624 69.9-170.8 -75.1 124.1 17.2 48.4 -9.1 86 114 A Q + 0 0 64 -2,-0.5 2,-0.3 9,-0.1 -1,-0.1 0.578 56.8 51.5 -99.2 -17.9 19.6 48.4 -6.1 87 115 A F S S- 0 0 69 1,-0.1 141,-0.2 14,-0.0 3,-0.1 -0.911 74.3-123.3-127.6 151.3 20.7 44.7 -5.8 88 116 A W S S- 0 0 29 -2,-0.3 140,-2.8 1,-0.2 2,-0.3 0.855 85.1 -26.2 -54.4 -42.9 22.1 42.0 -8.1 89 117 A D E +C 227 0C 31 138,-0.3 2,-0.3 116,-0.1 138,-0.2 -0.988 65.6 133.7-166.7 162.5 19.3 39.5 -7.4 90 118 A G E -C 226 0C 10 136,-1.6 136,-1.9 -2,-0.3 2,-0.2 -0.930 56.6 -56.0 171.1-174.1 16.6 38.3 -5.0 91 119 A R E >> -C 225 0C 88 -2,-0.3 4,-2.2 134,-0.2 3,-1.0 -0.618 50.7-115.6 -80.1 147.6 13.0 37.2 -4.8 92 120 A A H 3> S+ 0 0 5 132,-0.7 4,-2.3 1,-0.2 3,-0.2 0.925 113.2 52.0 -47.0 -55.6 10.3 39.6 -6.1 93 121 A E H 3> S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.778 112.4 45.2 -55.7 -29.6 8.7 40.1 -2.7 94 122 A D H <4 S+ 0 0 50 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.818 111.1 49.8 -88.9 -34.3 12.0 40.9 -0.9 95 123 A L H < S+ 0 0 33 -4,-2.2 -2,-0.2 -3,-0.2 -1,-0.2 0.842 117.4 47.0 -68.8 -31.7 13.3 43.3 -3.5 96 124 A A H < 0 0 20 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.981 360.0 360.0 -63.5 -79.7 9.9 44.9 -3.1 97 125 A A < 0 0 35 -4,-2.2 -3,-0.2 291,-0.3 231,-0.1 0.990 360.0 360.0 -80.3 360.0 9.5 45.0 0.7 98 ! 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 99 127 A A 0 0 99 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 -97.9 14.5 47.3 4.0 100 128 A K - 0 0 39 4,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.463 360.0-148.0 -62.0 131.8 18.3 47.6 4.0 101 129 A G > - 0 0 31 -2,-0.1 4,-2.5 -14,-0.0 5,-0.2 -0.501 36.7 -85.6 -86.6 176.3 19.7 49.6 1.0 102 130 A P H > S+ 0 0 44 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.785 123.7 55.4 -59.5 -38.7 23.1 48.9 -0.6 103 131 A V H > S+ 0 0 21 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.968 112.8 41.0 -57.8 -54.4 25.2 51.1 1.9 104 132 A Q H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 115.7 50.9 -59.5 -45.2 23.9 49.3 5.0 105 133 A A H X S+ 0 0 30 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.951 110.7 49.4 -60.2 -46.1 24.2 45.9 3.3 106 134 A S H >< S+ 0 0 45 -4,-2.8 3,-1.4 1,-0.2 4,-0.4 0.934 110.0 51.1 -58.5 -46.0 27.8 46.7 2.3 107 135 A V H >< S+ 0 0 21 -4,-2.7 3,-1.6 1,-0.3 4,-0.5 0.869 104.7 57.4 -58.1 -41.9 28.7 47.8 5.8 108 136 A E H 3< S+ 0 0 91 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.628 87.9 77.0 -72.6 -10.2 27.3 44.6 7.3 109 137 A M T << S+ 0 0 129 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.819 120.6 5.4 -62.1 -30.8 29.5 42.6 5.2 110 138 A N S < S+ 0 0 65 -3,-1.6 -65,-2.4 -4,-0.4 -64,-0.4 0.096 129.5 35.0-143.5 18.4 32.5 43.4 7.5 111 139 A N - 0 0 14 -4,-0.5 -1,-0.1 -67,-0.2 -67,-0.1 -0.985 67.2-115.1-163.8 166.0 30.9 45.3 10.5 112 140 A K >> - 0 0 132 -2,-0.3 4,-2.5 1,-0.1 3,-0.7 -0.975 28.6-131.6-109.8 132.4 28.0 45.9 12.8 113 141 A P H 3> S+ 0 0 28 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.853 107.5 52.3 -46.2 -47.2 26.2 49.3 12.5 114 142 A E H 3> S+ 0 0 147 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.850 109.9 47.1 -63.1 -40.7 26.4 49.9 16.3 115 143 A N H <> S+ 0 0 46 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.878 111.5 54.2 -66.3 -38.6 30.2 49.2 16.4 116 144 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.963 112.0 41.8 -58.6 -47.8 30.5 51.6 13.4 117 145 A V H X S+ 0 0 22 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.908 114.1 50.9 -69.6 -41.8 28.7 54.4 15.2 118 146 A A H X S+ 0 0 51 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.929 111.4 50.6 -66.6 -33.0 30.4 53.8 18.5 119 147 A T H < S+ 0 0 0 -4,-2.6 3,-0.4 2,-0.2 4,-0.4 0.938 108.8 49.6 -67.4 -46.4 33.7 53.9 16.6 120 148 A L H >< S+ 0 0 1 -4,-2.8 3,-1.7 1,-0.2 6,-0.3 0.932 109.2 53.2 -54.7 -44.6 32.9 57.2 14.9 121 149 A K H 3< S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.785 103.4 57.4 -61.9 -29.5 31.9 58.8 18.2 122 150 A S T 3< S+ 0 0 20 -4,-1.3 175,-0.5 -3,-0.4 -1,-0.3 0.471 88.8 83.2 -80.0 -8.1 35.3 57.8 19.7 123 151 A I S X S- 0 0 0 -3,-1.7 3,-2.9 -4,-0.4 173,-0.1 -0.872 73.7-153.2 -99.0 101.7 37.1 59.7 17.0 124 152 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 172,-0.1 0.782 89.8 57.9 -54.1 -30.6 37.1 63.3 18.3 125 153 A G T 3> S+ 0 0 27 170,-0.5 4,-0.8 1,-0.2 -4,-0.1 0.680 99.2 62.1 -70.1 -19.5 37.3 64.9 14.8 126 154 A Y H X> S+ 0 0 0 -3,-2.9 4,-2.0 -6,-0.3 3,-0.8 0.973 91.7 55.9 -79.7 -47.9 34.1 63.2 13.6 127 155 A P H 3> S+ 0 0 23 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.877 107.0 51.5 -53.6 -39.2 31.3 64.5 15.9 128 156 A P H 3> S+ 0 0 55 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.877 110.0 50.3 -64.9 -31.1 32.0 68.2 15.0 129 157 A L H < S- 0 0 2 -4,-1.8 3,-1.3 -5,-0.1 -1,-0.3 -0.576 84.6-171.7-132.6 71.2 23.5 67.7 10.1 135 163 A P T 3 + 0 0 97 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.283 65.8 34.4 -71.0 146.7 22.9 71.0 12.0 136 164 A G T 3 S+ 0 0 88 1,-0.3 2,-0.3 -5,-0.1 -5,-0.1 0.024 86.5 114.4 107.8 -32.0 20.1 71.0 14.5 137 165 A Q < - 0 0 91 -3,-1.3 -1,-0.3 -6,-0.2 -3,-0.1 -0.564 53.6-152.8 -90.0 137.0 20.3 67.4 15.8 138 166 A G S S+ 0 0 87 -2,-0.3 -1,-0.1 1,-0.3 -7,-0.0 0.782 99.0 28.8 -71.5 -25.2 21.3 66.6 19.3 139 167 A D S S+ 0 0 94 1,-0.1 -1,-0.3 -8,-0.0 -8,-0.0 -0.579 71.6 159.2-134.4 68.9 22.7 63.2 18.3 140 168 A P + 0 0 8 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 0.632 51.6 86.8 -76.0 -16.5 23.9 63.6 14.7 141 169 A V + 0 0 5 4,-0.1 2,-0.3 3,-0.0 -20,-0.1 -0.695 62.2 128.4 -83.6 93.7 26.4 60.6 14.6 142 170 A T S > S- 0 0 39 -2,-1.3 4,-1.9 1,-0.1 5,-0.1 -0.911 71.1-107.9-138.6 163.7 24.0 57.9 13.7 143 171 A F H > S+ 0 0 25 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.856 117.5 54.4 -58.0 -47.7 24.0 55.2 11.0 144 172 A D H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 110.8 48.0 -54.7 -43.3 21.2 56.8 8.9 145 173 A N H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.850 106.8 56.1 -68.9 -33.4 23.4 60.0 8.9 146 174 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.958 111.1 44.3 -57.4 -46.7 26.5 58.0 7.9 147 175 A A H X S+ 0 0 15 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.905 112.2 52.9 -70.1 -38.9 24.5 56.7 4.8 148 176 A K H X S+ 0 0 65 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.947 110.4 46.5 -59.5 -46.6 23.2 60.2 4.0 149 177 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -115,-0.3 0.936 114.8 47.2 -62.5 -48.8 26.6 61.7 4.0 150 178 A I H X S+ 0 0 4 -4,-2.4 4,-3.1 -5,-0.2 -1,-0.2 0.861 109.1 55.6 -57.8 -39.8 28.0 58.9 1.9 151 179 A E H X S+ 0 0 66 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.919 105.3 49.7 -63.3 -46.1 25.1 59.2 -0.5 152 180 A V H < S+ 0 0 2 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.873 113.5 48.1 -61.9 -34.7 25.6 62.9 -1.2 153 181 A F H >< S+ 0 0 5 -4,-1.7 3,-1.7 -123,-0.2 4,-0.5 0.946 110.3 51.3 -63.8 -49.2 29.3 62.1 -1.9 154 182 A E H >< S+ 0 0 37 -4,-3.1 3,-1.2 1,-0.3 -73,-0.3 0.820 99.1 65.6 -55.3 -30.0 28.2 59.1 -4.2 155 183 A A T 3< S+ 0 0 4 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.745 98.6 52.6 -67.6 -23.7 26.0 61.4 -6.1 156 184 A T T < S+ 0 0 49 -3,-1.7 2,-1.8 -4,-0.5 -1,-0.3 0.573 86.0 89.6 -83.7 -9.9 29.2 63.3 -7.3 157 185 A L < + 0 0 0 -3,-1.2 -78,-3.1 -4,-0.5 -77,-0.3 -0.418 61.7 131.1 -82.9 59.5 30.7 60.0 -8.5 158 186 A V - 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0 0 78 0, 0.0 2,-0.2 0, 0.0 127,-0.1 -0.358 17.8-128.2 -70.2 139.3 6.0 39.4 10.5 333 48 B A + 0 0 70 4,-0.1 3,-0.1 126,-0.1 123,-0.0 -0.547 33.2 168.7 -78.1 146.2 2.4 38.4 10.0 334 49 B S > - 0 0 42 -2,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.929 47.8-105.5-148.3 153.1 0.4 37.5 13.1 335 50 B P H > S+ 0 0 121 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.908 120.4 45.7 -46.4 -43.7 -3.4 37.0 13.3 336 51 B S H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 104,-0.2 0.821 112.3 49.6 -78.1 -28.2 -3.9 40.3 15.2 337 52 B R H > S+ 0 0 27 -3,-0.3 4,-2.8 2,-0.2 123,-0.2 0.935 112.6 48.4 -73.1 -41.5 -1.7 42.3 12.9 338 53 B V H X S+ 0 0 36 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.892 111.8 49.4 -58.6 -44.3 -3.5 40.8 9.9 339 54 B E H X S+ 0 0 87 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.912 111.8 48.3 -63.5 -45.7 -6.9 41.7 11.4 340 55 B L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.939 110.2 52.0 -60.1 -46.8 -5.8 45.3 12.2 341 56 B G H X S+ 0 0 0 -4,-2.8 4,-2.3 115,-0.3 -2,-0.2 0.933 109.9 49.3 -59.0 -43.5 -4.5 45.7 8.7 342 57 B R H X S+ 0 0 53 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.931 110.9 49.9 -61.0 -43.1 -7.9 44.5 7.3 343 58 B M H >X S+ 0 0 10 -4,-2.2 3,-0.9 1,-0.2 4,-0.7 0.939 112.4 46.6 -57.7 -47.1 -9.8 46.9 9.6 344 59 B L H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.3 14,-0.4 0.870 106.3 59.7 -68.0 -36.5 -7.6 49.9 8.5 345 60 B F H 3< S+ 0 0 0 -4,-2.3 14,-1.5 -5,-0.3 13,-0.8 0.810 114.4 34.7 -58.1 -30.0 -7.9 48.9 4.9 346 61 B F H << S+ 0 0 11 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.438 92.0 107.2-108.7 0.7 -11.8 49.3 5.0 347 62 B D X< - 0 0 1 -4,-0.7 3,-1.6 -3,-0.7 11,-0.2 -0.703 50.3-165.4 -88.1 112.1 -11.9 52.2 7.5 348 63 B P G > S+ 0 0 39 0, 0.0 3,-1.5 0, 0.0 8,-0.5 0.569 78.9 82.3 -77.4 -0.4 -12.9 55.4 5.7 349 64 B R G 3 S+ 0 0 24 1,-0.3 8,-0.1 5,-0.1 6,-0.1 0.550 71.5 77.2 -81.6 -6.6 -11.8 57.4 8.6 350 65 B L G < S+ 0 0 12 -3,-1.6 2,-0.3 -6,-0.2 -1,-0.3 0.584 89.2 70.8 -70.3 -9.9 -8.2 57.2 7.3 351 66 B S S X S- 0 0 0 -3,-1.5 3,-1.1 5,-0.3 67,-0.2 -0.754 91.9-122.5-104.2 159.1 -9.3 59.9 4.8 352 67 B A T 3 S+ 0 0 30 65,-2.4 261,-1.8 -2,-0.3 66,-0.1 0.844 114.6 51.1 -71.5 -31.6 -9.9 63.5 5.8 353 68 B S T 3 S- 0 0 38 64,-0.4 -1,-0.3 259,-0.2 -4,-0.1 0.642 101.6-134.7 -75.3 -14.6 -13.5 63.3 4.5 354 69 B H S < S+ 0 0 30 -3,-1.1 -5,-0.1 -6,-0.4 -2,-0.1 0.559 87.1 90.5 62.2 15.6 -14.2 60.0 6.4 355 70 B L + 0 0 144 -7,-0.1 2,-0.5 1,-0.1 -6,-0.1 0.714 69.8 71.6-107.5 -24.1 -15.7 58.7 3.1 356 71 B I + 0 0 59 -8,-0.5 -5,-0.3 61,-0.1 2,-0.2 -0.798 50.8 171.5-110.5 125.6 -12.8 57.1 1.4 357 72 B S >> - 0 0 19 -2,-0.5 3,-1.0 -7,-0.1 4,-0.7 -0.674 51.9 -97.0-115.8 177.3 -10.9 53.9 2.4 358 73 B C H >> S+ 0 0 38 -13,-0.8 4,-2.7 -14,-0.4 3,-0.8 0.893 124.6 62.2 -60.0 -38.9 -8.2 51.9 0.5 359 74 B N H 34 S+ 0 0 25 -14,-1.5 -1,-0.3 1,-0.2 6,-0.2 0.714 90.4 66.6 -60.9 -27.6 -11.0 49.7 -0.7 360 75 B T H <4 S+ 0 0 62 -3,-1.0 3,-0.3 2,-0.2 -1,-0.2 0.913 117.5 22.8 -56.5 -48.7 -12.6 52.7 -2.5 361 76 B C H << S+ 0 0 28 -3,-0.8 2,-0.3 -4,-0.7 -2,-0.2 0.700 135.7 38.6 -91.4 -21.6 -9.7 53.0 -5.1 362 77 B H S < S- 0 0 26 -4,-2.7 2,-0.4 -5,-0.2 7,-0.3 -0.571 84.6-173.2-126.2 67.5 -8.5 49.4 -4.7 363 78 B N B > > -J 369 0I 45 6,-1.4 5,-2.5 -3,-0.3 3,-1.7 -0.482 22.7-153.5 -75.2 117.1 -11.8 47.5 -4.4 364 79 B V G > 5S+ 0 0 23 -2,-0.4 3,-0.5 1,-0.3 -1,-0.2 0.724 98.1 59.4 -57.1 -20.8 -11.5 43.8 -3.5 365 80 B G G 3 5S+ 0 0 63 1,-0.2 -1,-0.3 -6,-0.2 2,-0.1 0.734 108.6 43.8 -76.4 -24.7 -14.9 43.4 -5.3 366 81 B L G X 5S- 0 0 76 -3,-1.7 3,-1.4 3,-0.3 5,-0.3 -0.388 130.6 -75.7-125.0 53.3 -13.5 44.7 -8.6 367 82 B G T < 5S- 0 0 1 -3,-0.5 18,-0.3 1,-0.3 -3,-0.2 0.664 86.3 -65.2 62.4 20.9 -10.0 43.1 -9.1 368 83 B G T 3 + 0 0 8 -16,-1.0 3,-2.2 2,-0.1 4,-0.4 0.656 68.5 109.0 -83.6 -18.6 -3.6 45.7 -4.8 385 106 B L T 3 S- 0 0 3 -18,-0.3 80,-0.2 1,-0.3 157,-0.1 -0.462 100.3 -6.6 -63.3 126.8 -4.0 42.0 -5.6 386 107 B N T > S+ 0 0 1 78,-2.6 3,-2.7 75,-0.3 -1,-0.3 0.534 92.7 133.9 60.4 13.2 -0.5 40.4 -5.7 387 108 B A G X + 0 0 31 -3,-2.2 3,-1.9 77,-0.3 -2,-0.1 0.809 59.6 73.3 -64.1 -19.8 0.9 44.0 -5.3 388 109 B V G 3 S+ 0 0 18 -4,-0.4 -291,-0.3 73,-0.3 -1,-0.3 0.709 94.6 53.5 -64.5 -15.7 3.2 42.3 -2.7 389 110 B Y G < S+ 0 0 6 -3,-2.7 2,-0.5 -293,-0.1 117,-0.3 0.362 82.5 105.7-102.0 6.3 5.1 40.8 -5.7 390 111 B N < - 0 0 16 -3,-1.9 120,-0.2 -4,-0.2 119,-0.1 -0.761 45.7-173.1 -80.0 127.4 5.7 44.1 -7.6 391 112 B I S S+ 0 0 20 118,-2.2 2,-0.5 -2,-0.5 119,-0.2 0.881 76.2 64.3 -82.1 -45.4 9.3 45.1 -7.3 392 113 B A S S- 0 0 5 117,-2.5 119,-0.1 1,-0.1 -1,-0.1 -0.687 71.5-167.6 -82.8 126.5 8.7 48.4 -9.0 393 114 B Q + 0 0 59 -2,-0.5 2,-0.3 9,-0.1 -1,-0.1 0.596 58.0 45.3 -92.6 -21.7 6.4 50.4 -6.7 394 115 B F S S- 0 0 68 1,-0.1 143,-0.2 14,-0.0 3,-0.1 -0.844 74.3-119.8-127.3 160.7 5.1 53.3 -8.8 395 116 B W S S- 0 0 29 -2,-0.3 142,-2.8 1,-0.2 2,-0.3 0.876 86.0 -24.5 -64.5 -37.3 3.8 54.0 -12.3 396 117 B D E +K 536 0J 24 140,-0.3 2,-0.3 116,-0.1 140,-0.2 -0.987 64.4 132.0-171.3 161.6 6.6 56.4 -13.3 397 118 B G E -K 535 0J 8 138,-1.6 138,-2.2 -2,-0.3 2,-0.3 -0.915 57.5 -56.7 165.6-177.3 9.3 58.8 -12.3 398 119 B R E >> -K 534 0J 93 -2,-0.3 4,-2.1 136,-0.2 3,-1.0 -0.646 50.0-115.8 -84.2 147.6 12.9 59.7 -12.9 399 120 B A H 3> S+ 0 0 6 134,-0.7 4,-2.5 -2,-0.3 3,-0.2 0.888 113.1 50.9 -44.1 -56.0 15.6 57.0 -12.2 400 121 B E H 3> S+ 0 0 38 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.774 114.6 45.3 -58.1 -26.6 17.3 58.9 -9.3 401 122 B D H <4 S+ 0 0 43 -3,-1.0 5,-0.2 2,-0.2 -1,-0.2 0.804 109.9 49.8 -90.4 -36.2 13.9 59.4 -7.5 402 123 B L H < S+ 0 0 30 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.918 107.8 58.2 -65.7 -45.5 12.5 56.0 -8.0 403 124 B A H < S+ 0 0 29 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.882 107.0 58.3 -45.5 -46.9 15.9 54.9 -6.6 404 125 B A S < S- 0 0 36 -4,-1.0 2,-0.7 -5,-0.1 -381,-0.1 -0.340 91.3-116.0 -78.9 165.4 15.1 57.0 -3.4 405 126 B Q + 0 0 130 -383,-0.2 3,-0.2 1,-0.1 -3,-0.1 -0.902 30.7 171.7-102.8 106.9 12.1 56.6 -1.1 406 127 B A S S- 0 0 65 -2,-0.7 2,-0.1 1,-0.6 -1,-0.1 0.062 82.7 -66.9 -86.5 25.7 9.8 59.7 -1.1 407 128 B K - 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