==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-DEC-07 3BNH . COMPND 2 MOLECULE: CYTOCHROME C-552; . SOURCE 2 ORGANISM_SCIENTIFIC: WOLINELLA SUCCINOGENES; . AUTHOR P.LUKAT,O.EINSLE . 471 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 25 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 5 2 0 3 1 2 2 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 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 . 5 1 0 1 0 0 0 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 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 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 37 A K 0 0 226 0, 0.0 139,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 160.1 34.9 67.1 49.1 2 38 A T > - 0 0 27 137,-0.4 3,-0.8 1,-0.1 4,-0.0 -0.293 360.0-110.4 -98.4 173.0 36.1 63.7 47.8 3 39 A A T 3 S+ 0 0 82 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.417 120.4 46.8 -74.9 -1.1 38.8 61.2 48.5 4 40 A H T > + 0 0 6 135,-0.4 3,-3.0 1,-0.1 -1,-0.2 -0.185 68.3 147.0-132.9 41.4 40.4 62.3 45.1 5 41 A S T < S+ 0 0 35 -3,-0.8 3,-0.1 1,-0.3 -1,-0.1 0.666 71.3 52.8 -62.2 -20.2 40.2 66.0 45.5 6 42 A Q T 3 S- 0 0 160 1,-0.3 -1,-0.3 -3,-0.1 133,-0.1 0.370 121.4 -97.3 -93.9 5.2 43.5 66.6 43.5 7 43 A G < - 0 0 23 -3,-3.0 2,-0.5 131,-0.3 -1,-0.3 -0.371 38.9 -77.0 104.3 171.5 42.2 64.6 40.6 8 44 A I > - 0 0 12 -2,-0.1 3,-1.4 -3,-0.1 2,-0.4 -0.950 31.7-133.2-117.3 123.1 42.7 61.0 39.3 9 45 A E T 3 S+ 0 0 182 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.593 100.9 16.8 -69.3 126.1 45.9 59.7 37.6 10 46 A G T > S+ 0 0 31 -2,-0.4 3,-2.5 2,-0.0 6,-0.3 0.744 83.0 165.1 81.0 24.4 44.7 57.7 34.5 11 47 A K T < + 0 0 67 -3,-1.4 122,-0.4 1,-0.3 -2,-0.1 0.687 63.9 64.3 -49.4 -30.4 41.3 59.4 34.8 12 48 A A T 3 S+ 0 0 4 -4,-0.1 2,-0.7 120,-0.1 -1,-0.3 0.786 88.1 78.8 -67.4 -24.7 40.1 58.4 31.3 13 49 A M S X S- 0 0 29 -3,-2.5 3,-2.0 1,-0.2 4,-0.3 -0.752 74.0-153.1 -88.9 110.6 40.3 54.7 32.4 14 50 A S G >> S+ 0 0 2 -2,-0.7 3,-2.0 1,-0.3 4,-0.5 0.797 90.9 72.0 -56.6 -27.5 37.1 54.0 34.4 15 51 A E G >4 S+ 0 0 47 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.814 88.5 64.3 -56.2 -27.9 39.0 51.2 36.3 16 52 A E G <4 S+ 0 0 81 -3,-2.0 -1,-0.3 -6,-0.3 3,-0.2 0.648 98.7 53.2 -65.9 -21.6 40.9 54.1 38.0 17 53 A W G X> S+ 0 0 6 -3,-2.0 4,-2.0 -4,-0.3 3,-1.2 0.549 85.6 86.0 -89.1 -14.6 37.7 55.3 39.7 18 54 A A T << S+ 0 0 26 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.787 78.7 62.8 -63.9 -31.3 36.8 51.9 41.1 19 55 A R T 34 S+ 0 0 206 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.765 114.9 32.9 -65.4 -25.4 38.9 52.4 44.3 20 56 A Y T <4 S+ 0 0 72 -3,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.758 131.9 27.2 -96.6 -34.3 36.6 55.3 45.3 21 57 A Y X + 0 0 64 -4,-2.0 4,-2.5 1,-0.1 5,-0.2 -0.489 62.4 158.7-134.1 60.7 33.3 54.2 43.9 22 58 A P H > S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.828 76.0 53.8 -58.2 -33.9 33.1 50.4 43.8 23 59 A R H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.971 112.4 41.1 -64.7 -57.0 29.3 50.3 43.8 24 60 A Q H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.847 114.3 54.7 -59.7 -37.0 28.8 52.6 40.7 25 61 A F H X S+ 0 0 34 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.934 107.2 50.3 -60.1 -47.2 31.8 50.9 39.0 26 62 A D H X S+ 0 0 89 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.933 114.7 41.6 -58.2 -50.5 30.1 47.5 39.4 27 63 A S H >< S+ 0 0 16 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.902 112.0 55.6 -68.5 -43.1 26.8 48.6 38.0 28 64 A W H >< S+ 0 0 40 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.929 106.0 52.0 -49.9 -47.1 28.4 50.6 35.2 29 65 A K H >< S+ 0 0 67 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.763 93.0 76.9 -64.8 -24.6 30.3 47.5 34.1 30 66 A K G X< + 0 0 86 -4,-0.9 3,-2.0 -3,-0.7 -1,-0.3 0.538 66.1 85.1 -69.9 -7.5 27.0 45.5 33.9 31 67 A T G X S+ 0 0 1 -3,-1.5 3,-1.3 1,-0.3 34,-0.3 0.664 71.3 83.0 -64.9 -13.7 26.0 47.2 30.6 32 68 A K G < S+ 0 0 70 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.803 78.6 68.2 -48.6 -31.4 28.2 44.2 29.3 33 69 A E G < S+ 0 0 119 -3,-2.0 2,-1.4 1,-0.2 -1,-0.2 0.765 83.0 72.1 -64.0 -31.0 24.9 42.3 29.8 34 70 A S < + 0 0 36 -3,-1.3 31,-2.8 -4,-0.2 -1,-0.2 -0.676 59.9 137.9 -87.1 81.7 23.2 44.1 26.9 35 71 A D + 0 0 24 -2,-1.4 2,-0.2 29,-0.2 -1,-0.2 0.276 19.7 129.0-113.2 8.3 25.1 42.4 24.1 36 72 A N - 0 0 111 -3,-0.1 2,-0.7 27,-0.1 29,-0.0 -0.484 45.2-149.7 -75.1 134.2 22.5 41.7 21.5 37 73 A I - 0 0 40 -2,-0.2 2,-0.6 426,-0.1 426,-0.1 -0.933 13.3-174.0 -98.0 113.5 23.2 42.8 17.9 38 74 A T - 0 0 59 -2,-0.7 24,-2.5 24,-0.3 2,-0.9 -0.963 20.1-141.8-106.1 112.6 19.9 43.6 16.1 39 75 A D B > -A 61 0A 20 -2,-0.6 4,-2.0 22,-0.2 3,-0.3 -0.671 13.5-167.8 -76.0 105.3 20.6 44.3 12.4 40 76 A M H > S+ 0 0 17 20,-1.5 4,-2.7 -2,-0.9 7,-0.2 0.768 85.2 59.6 -69.5 -26.2 18.2 47.2 11.7 41 77 A L H 4 S+ 0 0 0 19,-1.1 7,-0.2 2,-0.2 -1,-0.2 0.854 108.0 45.7 -67.9 -35.5 18.8 46.8 7.9 42 78 A K H 4 S+ 0 0 109 -3,-0.3 370,-0.2 1,-0.2 -2,-0.2 0.908 116.9 44.5 -69.9 -44.7 17.6 43.2 8.1 43 79 A E H < S+ 0 0 92 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.885 131.2 21.3 -67.0 -41.8 14.6 44.2 10.2 44 80 A K >< + 0 0 19 -4,-2.7 3,-1.9 -5,-0.1 4,-0.4 -0.705 65.6 173.3-130.5 74.5 13.7 47.3 8.1 45 81 A P T >> S+ 0 0 15 0, 0.0 3,-1.2 0, 0.0 4,-1.0 0.734 73.8 76.0 -60.5 -22.5 15.2 46.9 4.6 46 82 A A H 3> S+ 0 0 20 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.834 86.2 65.6 -50.1 -36.1 13.3 50.0 3.4 47 83 A L H <> S+ 0 0 2 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.847 93.7 58.1 -56.4 -38.4 16.1 51.8 5.4 48 84 A V H <4 S+ 0 0 0 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.941 108.1 44.7 -56.7 -48.9 18.7 50.5 2.9 49 85 A V H >< S+ 0 0 0 -4,-1.0 3,-1.5 1,-0.2 -2,-0.2 0.941 112.3 53.9 -62.6 -43.7 16.8 52.2 -0.0 50 86 A A H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.883 115.8 38.6 -55.2 -41.2 16.5 55.4 2.2 51 87 A W T >< S+ 0 0 1 -4,-2.3 3,-2.2 -5,-0.2 6,-0.6 0.198 79.6 145.8-103.6 18.8 20.2 55.5 2.8 52 88 A A T < S+ 0 0 0 -3,-1.5 178,-2.5 1,-0.3 179,-0.3 -0.331 72.5 26.5 -56.4 132.1 21.5 54.5 -0.6 53 89 A G T 3 S+ 0 0 52 366,-0.4 -1,-0.3 1,-0.3 175,-0.2 0.399 111.0 90.1 92.4 1.1 24.7 56.3 -1.3 54 90 A Y S X S- 0 0 40 -3,-2.2 3,-2.3 173,-0.1 -1,-0.3 -0.917 87.2-112.5-133.1 149.3 25.5 56.6 2.4 55 91 A P G >> S+ 0 0 33 0, 0.0 3,-2.1 0, 0.0 4,-1.3 0.789 110.0 69.7 -57.2 -27.3 27.3 54.4 4.9 56 92 A F G 34 S+ 0 0 20 1,-0.3 -5,-0.1 2,-0.2 -4,-0.1 0.644 88.2 66.2 -63.2 -16.3 24.1 53.5 6.9 57 93 A S G <4 S+ 0 0 5 -3,-2.3 -1,-0.3 -6,-0.6 3,-0.1 0.641 104.1 46.6 -76.0 -12.5 23.1 51.5 3.8 58 94 A K T <4 S- 0 0 28 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.885 128.5 -1.0 -89.8 -48.0 26.0 49.1 4.6 59 95 A D < + 0 0 1 -4,-1.3 -1,-0.3 17,-0.0 2,-0.3 -0.974 61.2 155.9-156.2 126.8 25.7 48.5 8.3 60 96 A Y + 0 0 24 -2,-0.3 -20,-1.5 -3,-0.1 -19,-1.1 -0.817 14.3 174.3-159.9 110.8 23.1 49.8 10.9 61 97 A N B -A 39 0A 35 -2,-0.3 -22,-0.2 -22,-0.3 3,-0.1 -0.789 36.2 -96.6-116.6 161.4 22.3 48.0 14.1 62 98 A A - 0 0 24 -24,-2.5 -24,-0.3 -2,-0.3 -1,-0.1 -0.293 53.6 -91.2 -67.4 158.2 20.2 48.8 17.2 63 99 A P - 0 0 94 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.401 46.6-179.1 -68.2 148.8 22.1 50.2 20.3 64 100 A R - 0 0 31 1,-0.2 -29,-0.2 -3,-0.1 -32,-0.1 -0.650 42.9 -32.5-127.1-160.9 23.4 47.9 22.9 65 101 A G > - 0 0 4 -31,-2.8 3,-2.6 -34,-0.3 4,-0.3 -0.121 49.6-120.6 -60.5 148.0 25.2 48.4 26.1 66 102 A H G > S+ 0 0 47 213,-0.4 3,-1.5 1,-0.3 4,-0.4 0.775 110.6 74.5 -51.3 -30.4 27.7 51.3 26.7 67 103 A Y G 3 S+ 0 0 14 1,-0.3 -1,-0.3 -39,-0.2 4,-0.2 0.748 101.3 42.0 -51.8 -29.8 30.2 48.5 27.4 68 104 A Y G <> S+ 0 0 0 -3,-2.6 4,-2.9 -34,-0.2 5,-0.3 0.388 83.5 102.2 -99.3 -1.2 30.3 47.9 23.5 69 105 A A H <> S+ 0 0 16 -3,-1.5 4,-2.2 -4,-0.3 5,-0.2 0.916 85.5 41.3 -56.2 -49.5 30.3 51.5 22.2 70 106 A L H > S+ 0 0 10 -4,-0.4 4,-1.9 28,-0.3 -1,-0.2 0.957 117.8 47.1 -66.8 -44.2 33.9 51.8 21.3 71 107 A Q H > S+ 0 0 4 -4,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.860 110.3 52.0 -68.3 -34.8 34.1 48.3 19.8 72 108 A D H X S+ 0 0 41 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.899 106.3 54.9 -69.1 -37.5 30.9 48.8 17.8 73 109 A N H < S+ 0 0 14 -4,-2.2 6,-0.3 -5,-0.3 -2,-0.2 0.895 113.7 42.2 -56.1 -42.7 32.4 52.0 16.4 74 110 A I H < S+ 0 0 4 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.896 118.0 46.1 -70.4 -41.3 35.4 49.9 15.3 75 111 A N H < S+ 0 0 3 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.801 84.1 105.4 -74.1 -33.4 33.3 47.0 14.1 76 112 A T S >< S- 0 0 12 -4,-2.8 3,-0.9 -5,-0.2 4,-0.3 -0.166 72.1-133.6 -57.9 140.3 30.7 48.8 12.1 77 113 A L G > S+ 0 0 3 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.777 100.7 77.2 -60.7 -20.8 31.2 48.6 8.2 78 114 A R G 3 S+ 0 0 61 1,-0.3 -1,-0.2 -19,-0.1 12,-0.1 0.900 91.4 49.5 -57.9 -40.3 30.6 52.4 8.3 79 115 A T G < S- 0 0 2 -3,-0.9 11,-0.3 -6,-0.3 -1,-0.3 0.542 97.8-165.4 -77.6 -6.6 34.1 53.1 9.5 80 116 A G < - 0 0 6 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 -0.097 34.0 -49.3 61.0-150.4 35.6 50.8 6.8 81 117 A A - 0 0 17 -4,-0.1 7,-0.2 352,-0.1 -1,-0.2 -0.707 51.3-169.9-134.0 77.5 39.1 49.4 6.6 82 118 A P - 0 0 3 0, 0.0 355,-0.2 0, 0.0 3,-0.1 -0.280 11.9-160.9 -58.8 153.2 41.9 52.0 7.2 83 119 A V S S- 0 0 111 1,-0.2 2,-0.2 354,-0.1 5,-0.0 0.513 74.4 -9.4-107.8 -12.3 45.4 50.7 6.4 84 120 A D S > S- 0 0 70 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 -0.868 92.8 -68.9-164.3-170.5 47.0 53.5 8.5 85 121 A G T 3 S+ 0 0 34 1,-0.2 33,-0.5 -2,-0.2 36,-0.3 0.545 126.4 51.4 -73.6 -7.2 46.3 56.8 10.3 86 122 A K T 3 S+ 0 0 174 34,-0.2 -1,-0.2 31,-0.1 2,-0.2 0.297 101.5 67.2-112.4 -0.8 45.6 58.6 7.0 87 123 A T < + 0 0 46 -3,-1.1 33,-0.6 31,-0.1 34,-0.1 -0.611 53.4 80.3-121.6-179.1 43.1 56.2 5.4 88 124 A G S S- 0 0 18 -7,-0.2 -8,-0.1 -2,-0.2 31,-0.1 -0.001 76.6 -91.7 95.5 153.9 39.5 55.0 5.8 89 125 A P S S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 0.833 95.9 64.4 -68.8 -34.5 36.2 56.6 4.8 90 126 A L S S- 0 0 37 -11,-0.3 29,-3.1 1,-0.1 30,-0.4 -0.557 72.8-119.9-107.5 156.6 35.3 58.5 8.0 91 127 A P B > -B 118 0B 23 0, 0.0 3,-1.9 0, 0.0 27,-0.3 -0.268 36.3 -95.3 -88.9 172.9 36.8 61.5 10.1 92 128 A S G > S+ 0 0 0 25,-2.2 3,-2.2 1,-0.3 4,-0.3 0.759 112.2 78.8 -56.2 -29.4 38.1 61.7 13.7 93 129 A A G > S+ 0 0 4 24,-0.3 3,-1.4 1,-0.3 4,-0.3 0.732 75.2 77.2 -56.1 -21.4 34.7 63.1 14.8 94 130 A C G < S+ 0 0 25 -3,-1.9 3,-0.3 1,-0.2 -1,-0.3 0.722 89.4 55.3 -64.7 -18.9 33.4 59.5 14.7 95 131 A W G X> S+ 0 0 0 -3,-2.2 3,-2.1 1,-0.2 4,-0.5 0.727 82.1 97.7 -73.6 -20.6 35.2 58.8 18.1 96 132 A T T <4 S+ 0 0 3 -3,-1.4 3,-0.3 -4,-0.3 -1,-0.2 0.683 88.3 30.4 -54.2 -39.9 33.5 61.7 19.8 97 133 A C T 34 S+ 0 0 27 -3,-0.3 -1,-0.3 -4,-0.3 33,-0.1 -0.141 110.7 68.9-109.8 32.7 30.6 60.0 21.6 98 134 A K T <4 S+ 0 0 59 -3,-2.1 32,-1.0 1,-0.2 -28,-0.3 0.494 96.0 30.6-124.9 -11.6 32.2 56.6 22.2 99 135 A S >< - 0 0 0 -4,-0.5 3,-1.1 -3,-0.3 -1,-0.2 -0.999 56.3-133.2-159.2 144.3 35.0 57.1 24.7 100 136 A P T 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 29,-0.1 0.640 104.4 75.6 -74.8 -12.3 36.4 59.1 27.8 101 137 A D H 3> S+ 0 0 1 27,-0.4 4,-2.5 1,-0.2 5,-0.2 0.709 83.0 70.2 -66.0 -20.9 39.7 59.3 25.8 102 138 A V H <> S+ 0 0 0 -3,-1.1 4,-2.8 2,-0.2 5,-0.2 0.973 100.6 39.7 -64.1 -58.1 37.9 62.0 23.7 103 139 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.916 114.3 57.5 -59.3 -35.0 37.8 64.7 26.4 104 140 A R H X S+ 0 0 23 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.937 111.7 40.8 -52.2 -50.5 41.4 63.5 27.3 105 141 A I H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.4 0.887 114.3 51.3 -70.8 -39.5 42.6 64.2 23.8 106 142 A I H X S+ 0 0 18 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.919 111.1 49.6 -61.3 -42.6 40.6 67.5 23.4 107 143 A E H < S+ 0 0 104 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.880 117.6 40.4 -64.4 -37.4 42.1 68.7 26.7 108 144 A Q H < S+ 0 0 117 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.845 132.7 18.3 -76.5 -40.9 45.6 67.8 25.5 109 145 A D H < S- 0 0 79 -4,-2.9 4,-0.4 -5,-0.1 -3,-0.2 0.520 107.2-105.3-118.9 -7.5 45.5 68.9 21.9 110 146 A G X - 0 0 33 -4,-2.3 4,-2.3 -5,-0.4 5,-0.2 0.164 31.2 -87.8 92.7 147.4 42.5 71.3 21.5 111 147 A E H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.898 123.3 50.1 -51.6 -49.8 39.1 70.8 19.9 112 148 A L H 4 S+ 0 0 63 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.913 111.8 46.9 -66.0 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5,-0.2 -0.458 14.6-113.0 -88.3 161.6 16.0 67.0 -16.0 340 376 A D H > S+ 0 0 119 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.898 120.1 54.3 -53.0 -40.6 17.2 68.4 -12.6 341 377 A A H >4 S+ 0 0 87 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.929 107.7 48.4 -63.8 -41.3 14.8 71.3 -13.2 342 378 A E H 34 S+ 0 0 55 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.704 118.8 41.9 -65.6 -24.2 11.8 68.9 -13.7 343 379 A L H 3X S+ 0 0 0 -4,-1.3 4,-2.9 -3,-0.4 5,-0.2 0.430 85.4 96.6-105.0 -1.7 12.8 67.0 -10.5 344 380 A K H S+ 0 0 126 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.921 115.1 52.6 -66.3 -45.9 10.4 70.1 -6.4 346 382 A I H > S+ 0 0 4 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.924 109.3 49.3 -50.5 -51.2 10.1 66.3 -6.2 347 383 A R H X S+ 0 0 19 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.897 108.6 53.4 -62.1 -41.4 13.6 66.1 -4.6 348 384 A T H X S+ 0 0 61 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.933 109.1 48.6 -56.1 -46.4 12.8 68.8 -2.1 349 385 A H H X S+ 0 0 24 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.889 112.7 49.2 -61.2 -39.2 9.7 66.8 -1.0 350 386 A I H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.943 109.2 51.2 -66.4 -47.6 11.8 63.7 -0.7 351 387 A R H X S+ 0 0 16 -4,-3.0 4,-2.3 1,-0.2 -114,-0.3 0.932 116.4 41.0 -53.1 -52.0 14.5 65.5 1.4 352 388 A H H X S+ 0 0 24 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.887 112.2 54.5 -66.6 -42.9 11.8 66.8 3.8 353 389 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.936 114.9 40.4 -52.0 -52.0 9.8 63.5 3.9 354 390 A Q H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.864 111.6 55.4 -73.0 -39.6 12.9 61.5 4.9 355 391 A W H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.934 113.5 42.4 -54.2 -46.2 14.2 64.1 7.3 356 392 A R H X S+ 0 0 33 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.937 118.0 43.8 -71.3 -46.4 10.9 64.1 9.2 357 393 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.886 115.1 48.9 -64.8 -40.1 10.5 60.3 9.1 358 394 A D H X S+ 0 0 1 -4,-3.0 4,-3.0 2,-0.2 3,-0.3 0.946 109.9 51.8 -67.5 -47.2 14.2 59.7 10.1 359 395 A M H < S+ 0 0 0 -4,-2.4 4,-0.5 -5,-0.3 -1,-0.2 0.873 109.5 52.8 -53.9 -36.8 14.0 62.2 12.9 360 396 A A H < S+ 0 0 2 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.893 122.9 24.8 -64.8 -39.4 10.9 60.3 14.1 361 397 A I H < S+ 0 0 15 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.621 99.3 81.7-105.9 -19.6 12.5 56.8 14.2 362 398 A A S < S+ 0 0 5 -4,-3.0 2,-0.9 -5,-0.2 -121,-0.5 0.764 85.5 66.3 -65.8 -28.4 16.3 57.4 14.7 363 399 A G S > S- 0 0 2 -4,-0.5 3,-1.7 -5,-0.3 4,-0.4 -0.867 79.3-157.9 -89.5 107.7 15.8 57.8 18.4 364 400 A H T 3 S+ 0 0 66 -2,-0.9 3,-0.2 1,-0.3 -1,-0.1 0.690 88.6 46.2 -66.1 -20.2 14.8 54.3 19.3 365 401 A G T >> S+ 0 0 21 1,-0.1 4,-2.9 2,-0.1 3,-1.7 0.468 84.8 94.7 -96.2 -0.7 13.0 55.4 22.5 366 402 A S H <> S+ 0 0 0 -3,-1.7 4,-2.8 1,-0.3 8,-0.3 0.821 71.3 67.4 -66.7 -31.9 11.2 58.3 21.0 367 403 A F H 34 S+ 0 0 32 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.772 118.0 28.5 -55.9 -26.7 8.0 56.3 20.3 368 404 A F H <4 S+ 0 0 65 -3,-1.7 -2,-0.3 2,-0.1 -1,-0.2 0.800 119.2 52.8 -97.9 -45.6 7.8 56.3 24.1 369 405 A H H < S+ 0 0 40 -4,-2.9 -116,-0.4 1,-0.3 -117,-0.3 0.833 135.9 5.4 -60.5 -37.4 9.6 59.5 25.1 370 406 A A S X S+ 0 0 3 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.3 -0.522 76.5 169.5-147.6 67.7 7.4 61.7 22.8 371 407 A P H > S+ 0 0 26 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.870 75.3 45.8 -59.3 -42.5 4.7 59.3 21.4 372 408 A E H > S+ 0 0 163 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.883 112.1 49.5 -74.2 -37.6 2.5 62.0 19.8 373 409 A E H > S+ 0 0 48 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.900 109.4 54.9 -66.2 -38.4 5.2 64.0 18.2 374 410 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 -8,-0.3 -2,-0.2 0.946 109.9 44.9 -58.1 -50.2 6.6 60.7 16.7 375 411 A L H X S+ 0 0 47 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.898 113.5 51.1 -60.7 -41.9 3.3 59.8 15.1 376 412 A R H X S+ 0 0 104 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.905 109.6 49.8 -62.2 -44.1 2.9 63.4 13.8 377 413 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.919 110.7 48.8 -61.3 -44.6 6.3 63.4 12.3 378 414 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.873 113.4 47.5 -64.5 -35.5 5.7 60.1 10.5 379 415 A A H X S+ 0 0 55 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.893 114.0 47.5 -69.0 -42.4 2.4 61.4 9.2 380 416 A S H X S+ 0 0 25 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.937 113.3 47.8 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62.4 -7.2 391 427 A K H X S+ 0 0 71 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.872 109.6 57.8 -63.5 -36.8 4.3 64.8 -9.1 392 428 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.843 97.2 60.0 -64.2 -34.3 6.4 61.7 -10.1 393 429 A V H X S+ 0 0 68 -4,-1.6 4,-3.0 -3,-0.3 -1,-0.2 0.950 107.5 47.0 -58.2 -45.1 3.5 60.0 -11.9 394 430 A K H X S+ 0 0 155 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.852 112.4 47.9 -67.0 -38.4 3.3 63.1 -14.1 395 431 A V H X S+ 0 0 19 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.932 113.2 48.7 -66.5 -47.9 7.0 63.2 -14.8 396 432 A L H <>S+ 0 0 6 -4,-3.2 5,-2.8 1,-0.2 6,-0.3 0.930 110.4 51.7 -55.4 -46.3 7.0 59.4 -15.6 397 433 A A H ><5S+ 0 0 43 -4,-3.0 3,-1.7 4,-0.3 5,-0.2 0.892 104.6 55.9 -56.6 -42.7 4.0 59.9 -17.9 398 434 A K H 3<5S+ 0 0 133 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.893 110.9 46.2 -58.2 -39.4 5.8 62.7 -19.8 399 435 A Y T 3<5S- 0 0 62 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.247 123.2-104.2 -91.5 12.9 8.6 60.2 -20.4 400 436 A G T < 5S+ 0 0 72 -3,-1.7 -3,-0.2 -5,-0.1 3,-0.1 0.655 95.1 101.4 81.6 20.7 6.3 57.4 -21.5 401 437 A A > < + 0 0 17 -5,-2.8 3,-2.0 -6,-0.2 -4,-0.3 -0.163 27.2 136.9-127.3 41.0 6.4 55.3 -18.3 402 438 A I T 3 S+ 0 0 94 -6,-0.3 -5,-0.2 1,-0.3 -1,-0.1 0.819 76.1 51.6 -60.1 -31.2 3.2 56.1 -16.4 403 439 A D T 3 S+ 0 0 145 -3,-0.1 -1,-0.3 -7,-0.1 -2,-0.0 0.288 78.0 138.5 -90.9 8.1 2.7 52.4 -15.5 404 440 A Y < - 0 0 62 -3,-2.0 2,-0.6 -11,-0.1 -3,-0.0 -0.265 41.4-152.9 -51.1 135.0 6.2 51.9 -14.1 405 441 A V - 0 0 120 3,-0.0 3,-0.1 -76,-0.0 -1,-0.1 -0.954 18.0-125.4-117.7 112.9 6.1 49.9 -10.9 406 442 A A - 0 0 10 -2,-0.6 -81,-0.1 1,-0.1 -80,-0.0 -0.227 37.3-102.5 -55.7 139.8 9.0 50.6 -8.5 407 443 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.247 38.2-100.3 -66.7 159.4 10.9 47.4 -7.7 408 444 A D - 0 0 111 -3,-0.1 3,-0.1 1,-0.1 -3,-0.0 -0.394 30.1-178.1 -77.0 154.4 10.4 45.6 -4.3 409 445 A F + 0 0 15 -2,-0.1 -360,-0.2 5,-0.1 -361,-0.1 -0.245 34.1 133.6-147.3 47.2 12.8 46.0 -1.4 410 446 A E + 0 0 111 -365,-0.1 2,-0.3 -364,-0.1 -364,-0.1 0.459 65.6 51.8 -90.4 -4.0 11.3 43.7 1.2 411 447 A T S > S- 0 0 47 -366,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.967 83.7-122.7-127.0 151.1 14.6 41.9 2.1 412 448 A K H > S+ 0 0 13 -2,-0.3 4,-2.8 -370,-0.2 5,-0.2 0.885 113.9 53.5 -52.8 -42.6 18.0 43.4 3.1 413 449 A E H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 111.2 43.2 -60.7 -49.4 19.5 41.5 0.1 414 450 A K H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.959 116.0 49.5 -61.1 -50.5 17.1 42.9 -2.5 415 451 A A H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.890 109.4 50.4 -54.9 -47.2 17.4 46.4 -1.0 416 452 A Q H <>S+ 0 0 13 -4,-2.8 5,-2.8 -5,-0.2 4,-0.3 0.831 107.2 55.4 -67.0 -30.2 21.2 46.4 -1.0 417 453 A K H ><5S+ 0 0 170 -4,-1.8 3,-1.0 -3,-0.2 -1,-0.2 0.929 109.1 47.1 -62.2 -46.2 21.2 45.2 -4.7 418 454 A L H 3<5S+ 0 0 49 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.857 114.3 46.8 -63.0 -35.3 19.1 48.3 -5.5 419 455 A A T 3<5S- 0 0 12 -4,-1.8 -366,-0.4 -5,-0.2 -1,-0.3 0.403 111.8-124.8 -87.1 -2.8 21.4 50.5 -3.5 420 456 A K T < 5 + 0 0 184 -3,-1.0 2,-0.7 -4,-0.3 -3,-0.2 0.887 51.1 160.4 58.6 45.7 24.5 48.9 -5.2 421 457 A V < - 0 0 21 -5,-2.8 2,-1.4 -364,-0.1 -1,-0.2 -0.894 31.5-156.1-100.0 113.5 26.1 47.8 -1.9 422 458 A D > + 0 0 100 -2,-0.7 4,-1.8 1,-0.2 3,-0.3 -0.679 20.2 174.2 -88.2 84.1 28.7 45.0 -2.3 423 459 A M H > S+ 0 0 14 -2,-1.4 4,-3.1 1,-0.2 5,-0.3 0.883 71.3 57.0 -59.7 -45.8 28.5 43.7 1.2 424 460 A E H > S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.865 109.1 47.5 -61.0 -36.5 30.8 40.7 0.8 425 461 A A H > S+ 0 0 48 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.899 113.0 48.2 -66.3 -44.4 33.6 43.0 -0.5 426 462 A F H X S+ 0 0 68 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.907 113.0 48.1 -63.4 -42.5 33.1 45.5 2.5 427 463 A I H X S+ 0 0 27 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.911 110.3 51.1 -64.7 -42.8 33.1 42.6 5.0 428 464 A A H X S+ 0 0 46 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.934 112.6 45.9 -62.6 -46.8 36.3 41.0 3.5 429 465 A E H X S+ 0 0 99 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.881 112.2 52.6 -58.5 -45.0 38.1 44.3 3.7 430 466 A K H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.921 106.1 52.1 -61.0 -47.9 36.9 44.9 7.2 431 467 A L H X S+ 0 0 58 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.903 107.9 51.7 -58.6 -43.1 38.1 41.5 8.5 432 468 A K H X S+ 0 0 135 -4,-1.8 4,-1.4 1,-0.2 5,-0.2 0.928 110.6 49.0 -57.6 -48.0 41.6 42.2 7.1 433 469 A F H <>S+ 0 0 4 -4,-2.0 5,-2.7 1,-0.2 6,-0.4 0.906 113.1 46.8 -53.8 -49.3 41.6 45.5 9.0 434 470 A K H <>S+ 0 0 11 -4,-2.6 5,-0.7 1,-0.2 -1,-0.2 0.851 112.8 49.5 -61.9 -38.1 40.5 43.9 12.2 435 471 A Q H <5S+ 0 0 132 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.726 128.7 17.7 -76.4 -21.8 43.0 41.1 11.9 436 472 A T T X5S+ 0 0 85 -4,-1.4 4,-1.9 -3,-0.2 3,-0.2 0.716 129.8 24.6-115.0 -86.3 45.9 43.5 11.3 437 473 A L H >5S+ 0 0 31 1,-0.2 4,-2.7 -5,-0.2 -3,-0.2 0.865 119.9 54.3 -60.7 -42.3 45.7 47.2 12.1 438 474 A E H >S+ 0 0 0 -4,-2.5 5,-2.8 -5,-0.2 6,-1.2 0.865 111.3 47.5 -62.7 -40.9 47.6 51.1 23.6 446 482 A I H ><5S+ 0 0 67 -4,-2.3 3,-0.8 4,-0.2 -1,-0.2 0.910 112.2 50.5 -65.3 -42.6 48.1 48.3 26.1 447 483 A A H 3<5S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.899 112.0 47.6 -63.6 -38.1 51.9 48.8 25.9 448 484 A K H 3<5S- 0 0 92 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.605 114.9-117.0 -75.7 -13.4 51.5 52.5 26.4 449 485 A G T <<5S+ 0 0 42 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.717 84.9 115.7 77.8 22.9 49.2 51.9 29.4 450 486 A R S - 0 0 59 -2,-0.4 3,-1.9 1,-0.1 4,-0.3 -0.921 16.5-141.6-101.4 120.3 43.6 47.7 30.3 453 489 A P G > S+ 0 0 74 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.737 97.0 73.2 -53.7 -23.2 43.1 44.2 28.7 454 490 A E G > S+ 0 0 77 1,-0.3 3,-1.2 2,-0.2 -3,-0.0 0.854 88.7 60.7 -60.0 -32.8 40.4 43.5 31.3 455 491 A S G < S+ 0 0 32 -3,-1.9 -1,-0.3 1,-0.2 -326,-0.1 0.593 95.4 62.9 -67.8 -13.4 38.1 45.9 29.5 456 492 A L G X + 0 0 47 -3,-1.7 3,-2.2 -4,-0.3 4,-0.5 0.534 68.2 131.0 -93.6 -6.3 38.2 43.8 26.4 457 493 A K T < S- 0 0 109 -3,-1.2 -3,-0.0 -4,-0.3 14,-0.0 -0.257 92.1 -17.1 -55.0 117.0 36.6 40.6 27.9 458 494 A G T > S+ 0 0 19 1,-0.1 3,-0.7 2,-0.1 -1,-0.3 0.563 102.3 123.7 67.7 9.4 33.8 39.5 25.6 459 495 A V T < S+ 0 0 9 -3,-2.2 3,-0.2 1,-0.2 -2,-0.1 0.745 73.0 40.5 -74.3 -25.3 33.8 42.9 23.9 460 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