==== 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 3BNF . 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) . 21763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 67.9 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 . 23 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 37.4 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 3 0 2 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 0 221 0, 0.0 2,-0.1 0, 0.0 139,-0.1 0.000 360.0 360.0 360.0 155.1 34.7 66.5 49.2 2 38 A T > - 0 0 31 137,-0.5 3,-0.8 1,-0.0 139,-0.0 -0.350 360.0-103.7-105.6 179.6 35.7 63.0 48.0 3 39 A A T 3 S+ 0 0 84 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.348 122.9 46.4 -83.2 1.8 38.4 60.4 48.6 4 40 A H T > + 0 0 6 135,-0.3 3,-2.7 1,-0.1 -1,-0.2 -0.166 66.8 148.9-133.3 39.4 40.0 61.5 45.3 5 41 A S T < S+ 0 0 34 -3,-0.8 3,-0.1 1,-0.3 -2,-0.1 0.667 72.8 52.0 -53.4 -16.9 39.9 65.3 45.8 6 42 A Q T 3 S- 0 0 157 1,-0.4 -1,-0.3 132,-0.1 2,-0.2 0.428 120.2 -93.7-103.7 2.6 43.1 65.8 43.7 7 43 A G < - 0 0 22 -3,-2.7 2,-0.5 131,-0.3 -1,-0.4 -0.477 38.5 -81.8 112.4 172.7 41.9 63.8 40.7 8 44 A I > - 0 0 11 -2,-0.2 3,-1.4 -3,-0.1 2,-0.3 -0.974 32.6-132.5-120.8 119.1 42.3 60.2 39.5 9 45 A E T 3 S+ 0 0 182 -2,-0.5 -2,-0.1 1,-0.3 0, 0.0 -0.537 99.5 16.5 -62.8 124.5 45.4 59.0 37.8 10 46 A G T > S+ 0 0 27 -2,-0.3 3,-2.2 2,-0.0 6,-0.3 0.782 80.8 164.8 78.1 30.8 44.3 57.1 34.7 11 47 A K T < + 0 0 65 -3,-1.4 122,-0.4 1,-0.3 -2,-0.1 0.803 65.0 66.2 -49.1 -35.4 40.8 58.6 34.9 12 48 A A T 3 S+ 0 0 4 -4,-0.1 2,-0.8 121,-0.1 -1,-0.3 0.817 87.5 75.6 -63.1 -22.0 39.9 57.6 31.4 13 49 A M S X S- 0 0 25 -3,-2.2 3,-2.1 1,-0.2 4,-0.2 -0.782 75.8-153.3 -97.4 105.4 40.0 53.9 32.4 14 50 A S G > S+ 0 0 2 -2,-0.8 3,-2.6 1,-0.3 4,-0.5 0.813 88.7 71.7 -50.9 -35.1 36.8 53.4 34.4 15 51 A E G > S+ 0 0 41 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.753 87.4 66.9 -54.3 -27.0 38.4 50.5 36.4 16 52 A E G < S+ 0 0 78 -3,-2.1 -1,-0.3 -6,-0.3 3,-0.2 0.578 96.6 54.0 -62.1 -18.0 40.5 53.3 38.2 17 53 A W G X> S+ 0 0 5 -3,-2.6 4,-2.0 -4,-0.2 3,-1.4 0.590 85.6 86.1 -97.0 -14.9 37.3 54.6 39.8 18 54 A A T <4 S+ 0 0 26 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.741 77.2 65.2 -57.6 -27.9 36.5 51.2 41.2 19 55 A R T 34 S+ 0 0 200 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.799 114.9 30.2 -71.9 -22.7 38.6 51.8 44.3 20 56 A Y T <4 S+ 0 0 73 -3,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.780 131.7 30.6 -99.3 -31.8 36.2 54.6 45.4 21 57 A Y X + 0 0 62 -4,-2.0 4,-2.5 1,-0.1 5,-0.2 -0.564 60.5 156.9-132.4 62.4 32.9 53.5 43.9 22 58 A P H > S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.792 76.3 53.3 -61.8 -30.4 32.7 49.7 43.8 23 59 A R H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.957 113.4 41.4 -73.2 -46.3 28.9 49.6 43.7 24 60 A Q H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.848 114.3 53.7 -72.1 -34.1 28.6 52.0 40.7 25 61 A F H X S+ 0 0 37 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.946 107.9 50.3 -63.3 -47.6 31.5 50.2 39.0 26 62 A D H X S+ 0 0 85 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.896 114.9 41.0 -60.5 -45.5 29.8 46.9 39.4 27 63 A S H >< S+ 0 0 15 -4,-2.0 3,-0.6 2,-0.2 4,-0.3 0.888 111.8 57.5 -68.8 -37.7 26.4 47.9 37.9 28 64 A W H >< S+ 0 0 36 -4,-2.2 3,-1.3 1,-0.3 -2,-0.2 0.918 105.3 50.7 -58.0 -43.9 28.1 50.0 35.2 29 65 A K H >< S+ 0 0 62 -4,-2.2 3,-1.8 1,-0.2 -1,-0.3 0.754 92.9 77.5 -64.2 -26.6 30.0 46.9 34.0 30 66 A K G X< + 0 0 83 -4,-0.7 3,-2.6 -3,-0.6 4,-0.3 0.551 67.4 84.6 -64.4 -8.8 26.7 45.0 33.8 31 67 A T G X S+ 0 0 2 -3,-1.3 3,-1.1 1,-0.3 34,-0.3 0.688 71.0 81.6 -69.9 -8.0 25.7 46.6 30.6 32 68 A K G < S+ 0 0 66 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.710 79.6 69.0 -56.1 -25.0 27.9 43.8 29.2 33 69 A E G < S+ 0 0 114 -3,-2.6 2,-1.8 1,-0.2 -1,-0.2 0.800 81.2 72.3 -65.6 -32.4 24.6 41.9 29.8 34 70 A S < + 0 0 34 -3,-1.1 31,-3.1 -4,-0.3 34,-0.2 -0.633 60.6 140.4 -85.1 81.0 22.8 43.7 26.9 35 71 A D + 0 0 40 -2,-1.8 -1,-0.2 29,-0.2 2,-0.1 0.382 20.2 127.0-108.1 4.1 24.8 41.9 24.2 36 72 A N - 0 0 100 -3,-0.2 2,-0.6 27,-0.1 29,-0.1 -0.378 45.4-152.0 -70.4 136.1 22.1 41.3 21.5 37 73 A I - 0 0 29 426,-0.1 2,-0.6 -2,-0.1 426,-0.1 -0.953 9.7-171.4-105.5 119.2 22.8 42.5 18.0 38 74 A T - 0 0 40 -2,-0.6 24,-2.2 24,-0.3 2,-0.9 -0.969 18.7-143.0-111.1 113.1 19.6 43.3 16.1 39 75 A D B >> -A 61 0A 14 -2,-0.6 4,-1.8 22,-0.2 3,-0.5 -0.679 13.9-168.2 -80.8 107.6 20.5 43.9 12.5 40 76 A M H 3> S+ 0 0 25 20,-1.8 4,-2.3 -2,-0.9 7,-0.2 0.749 84.8 60.7 -74.1 -22.6 18.0 46.7 11.7 41 77 A L H 34 S+ 0 0 0 19,-1.0 -1,-0.2 2,-0.2 7,-0.2 0.807 107.7 46.5 -69.5 -31.4 18.8 46.4 7.9 42 78 A K H <4 S+ 0 0 124 -3,-0.5 370,-0.3 2,-0.1 -2,-0.2 0.851 117.6 40.8 -73.4 -43.6 17.5 42.8 8.2 43 79 A E H < S+ 0 0 119 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.868 132.7 24.3 -71.0 -39.4 14.4 43.7 10.2 44 80 A K >< + 0 0 22 -4,-2.3 3,-2.1 -5,-0.2 4,-0.3 -0.661 65.9 168.6-130.5 68.6 13.7 46.8 8.1 45 81 A P T >> S+ 0 0 16 0, 0.0 3,-1.6 0, 0.0 4,-1.0 0.757 71.3 76.9 -68.9 -17.9 15.3 46.4 4.7 46 82 A A H 3> S+ 0 0 19 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.833 84.3 66.4 -51.0 -33.5 13.4 49.5 3.5 47 83 A L H <> S+ 0 0 2 -3,-2.1 4,-2.1 -7,-0.2 -1,-0.3 0.754 92.5 60.8 -60.7 -27.3 16.0 51.5 5.4 48 84 A V H <4 S+ 0 0 0 -3,-1.6 4,-0.3 -4,-0.3 -1,-0.2 0.939 106.7 43.9 -66.2 -46.5 18.7 50.2 2.9 49 85 A V H >< S+ 0 0 0 -4,-1.0 3,-1.5 1,-0.2 -2,-0.2 0.952 113.2 53.5 -62.1 -40.2 16.8 51.9 0.0 50 86 A A H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.868 115.6 38.7 -59.7 -41.9 16.4 54.9 2.3 51 87 A W T >< S+ 0 0 0 -4,-2.1 3,-2.0 -5,-0.1 6,-0.7 0.146 79.7 149.0-101.6 18.2 20.2 55.0 2.9 52 88 A A T < S+ 0 0 0 -3,-1.5 178,-2.4 -4,-0.3 179,-0.3 -0.275 72.4 22.1 -53.8 131.8 21.4 54.1 -0.5 53 89 A G T 3 S+ 0 0 51 366,-0.4 -1,-0.3 1,-0.3 175,-0.2 0.514 110.7 94.0 81.2 8.5 24.7 55.8 -1.2 54 90 A Y S X S- 0 0 39 -3,-2.0 3,-2.3 173,-0.1 -1,-0.3 -0.937 86.4-112.3-132.4 148.6 25.4 56.2 2.6 55 91 A P G >> S+ 0 0 34 0, 0.0 3,-2.2 0, 0.0 4,-1.1 0.774 110.1 68.7 -55.3 -29.2 27.3 54.0 5.1 56 92 A F G 34 S+ 0 0 16 1,-0.3 -4,-0.1 2,-0.2 -5,-0.1 0.676 86.8 68.3 -66.2 -14.3 24.1 53.0 7.0 57 93 A S G <4 S+ 0 0 6 -3,-2.3 -1,-0.3 -6,-0.7 3,-0.1 0.638 102.5 48.8 -76.2 -12.8 23.1 51.0 3.9 58 94 A K T <4 S- 0 0 27 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.875 128.4 -4.8 -81.3 -53.2 26.1 48.7 4.8 59 95 A D < + 0 0 0 -4,-1.1 -1,-0.3 17,-0.1 2,-0.3 -0.977 60.8 159.2-154.2 131.0 25.5 48.1 8.5 60 96 A Y + 0 0 21 -2,-0.3 -20,-1.8 -3,-0.1 -19,-1.0 -0.810 12.4 174.4-159.4 106.2 23.0 49.4 11.0 61 97 A N B -A 39 0A 32 -2,-0.3 -22,-0.2 -22,-0.2 3,-0.1 -0.827 35.7-100.5-112.0 164.6 22.2 47.7 14.2 62 98 A A - 0 0 21 -24,-2.2 -24,-0.3 -2,-0.3 -1,-0.1 -0.298 54.5 -86.3 -74.5 159.7 20.0 48.6 17.2 63 99 A P - 0 0 89 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.346 48.3-177.7 -66.1 147.9 21.8 49.9 20.3 64 100 A R - 0 0 30 1,-0.2 -29,-0.2 -3,-0.1 -32,-0.1 -0.560 43.1 -35.7-125.3-157.9 23.1 47.4 22.8 65 101 A G > - 0 0 5 -31,-3.1 3,-2.5 -34,-0.3 4,-0.4 -0.158 49.9-119.5 -68.2 155.3 24.9 47.9 26.2 66 102 A H G > S+ 0 0 48 213,-0.4 3,-1.2 1,-0.3 4,-0.4 0.777 110.9 74.7 -60.3 -26.6 27.4 50.7 26.8 67 103 A Y G 3 S+ 0 0 10 1,-0.2 -1,-0.3 -39,-0.2 4,-0.3 0.754 102.2 41.9 -52.2 -29.6 29.9 47.9 27.5 68 104 A Y G <> S+ 0 0 0 -3,-2.5 4,-2.9 -34,-0.2 -1,-0.2 0.507 82.0 100.4 -98.3 -7.2 29.9 47.5 23.6 69 105 A A H <> S+ 0 0 18 -3,-1.2 4,-2.1 -4,-0.4 5,-0.2 0.902 86.8 42.8 -52.6 -49.3 29.9 51.1 22.3 70 106 A L H > S+ 0 0 9 -4,-0.4 4,-2.1 28,-0.3 -1,-0.2 0.979 117.1 46.7 -63.7 -47.5 33.7 51.3 21.5 71 107 A Q H > S+ 0 0 4 -4,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.894 110.2 53.1 -63.7 -35.9 33.8 47.8 20.0 72 108 A D H X S+ 0 0 41 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.905 105.9 53.8 -64.6 -41.7 30.7 48.4 17.9 73 109 A N H < S+ 0 0 10 -4,-2.1 6,-0.2 -5,-0.2 -1,-0.2 0.860 114.1 42.9 -49.5 -45.8 32.3 51.6 16.5 74 110 A I H < S+ 0 0 4 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.918 118.5 44.5 -71.7 -42.0 35.3 49.5 15.5 75 111 A N H < S+ 0 0 3 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.772 84.3 104.1 -73.7 -38.8 33.1 46.6 14.1 76 112 A T S >< S- 0 0 12 -4,-2.8 3,-1.2 -5,-0.2 4,-0.4 -0.205 73.7-131.6 -50.9 139.4 30.5 48.4 12.1 77 113 A L G > S+ 0 0 1 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.770 100.8 78.8 -59.6 -17.4 31.0 48.2 8.4 78 114 A R G 3 S+ 0 0 60 1,-0.3 -1,-0.2 -19,-0.1 12,-0.1 0.843 90.7 50.1 -62.9 -34.2 30.4 52.0 8.4 79 115 A T G < S- 0 0 2 -3,-1.2 11,-0.3 -6,-0.2 -1,-0.3 0.539 97.4-165.7 -81.0 -4.9 33.9 52.6 9.7 80 116 A G < - 0 0 4 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 -0.136 35.9 -50.2 61.7-152.5 35.4 50.4 6.9 81 117 A A - 0 0 18 352,-0.1 7,-0.2 -4,-0.1 -1,-0.2 -0.717 51.8-168.5-135.8 73.8 38.9 49.0 6.9 82 118 A P - 0 0 2 0, 0.0 355,-0.2 0, 0.0 3,-0.1 -0.347 10.9-159.1 -58.6 146.8 41.7 51.6 7.4 83 119 A V S S- 0 0 109 1,-0.2 2,-0.3 354,-0.1 5,-0.0 0.516 73.5 -13.1-102.7 -4.9 45.2 50.4 6.7 84 120 A D S > S- 0 0 70 3,-0.0 3,-1.4 0, 0.0 -1,-0.2 -0.925 93.7 -65.6-172.4-177.0 46.8 53.1 8.8 85 121 A G T 3 S+ 0 0 35 -2,-0.3 33,-0.5 1,-0.2 36,-0.2 0.442 126.9 49.7 -70.0 -1.3 46.1 56.4 10.6 86 122 A K T 3 S+ 0 0 181 34,-0.1 -1,-0.2 31,-0.1 2,-0.2 0.291 102.3 68.7-117.9 5.9 45.4 58.2 7.3 87 123 A T < + 0 0 49 -3,-1.4 33,-0.5 31,-0.1 3,-0.1 -0.658 53.8 80.3-120.1 179.5 43.0 55.8 5.6 88 124 A G S S- 0 0 21 -7,-0.2 -8,-0.1 -2,-0.2 -9,-0.1 -0.087 77.3 -93.5 98.9 154.1 39.4 54.6 6.1 89 125 A P S S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 0.803 94.9 67.5 -72.2 -33.5 36.1 56.3 5.0 90 126 A L S S- 0 0 33 -11,-0.3 29,-3.0 1,-0.1 30,-0.4 -0.524 72.8-119.6-105.8 154.1 35.2 58.1 8.3 91 127 A P B > -B 118 0B 24 0, 0.0 3,-1.8 0, 0.0 27,-0.3 -0.335 35.7 -96.4 -86.3 173.0 36.6 61.0 10.3 92 128 A S G > S+ 0 0 0 25,-2.6 3,-2.0 1,-0.3 4,-0.3 0.685 111.5 78.6 -56.5 -28.0 37.9 61.3 13.9 93 129 A A G > S+ 0 0 4 24,-0.3 3,-1.6 1,-0.3 4,-0.3 0.740 74.5 76.7 -60.0 -20.3 34.5 62.6 15.1 94 130 A C G < S+ 0 0 23 -3,-1.8 -1,-0.3 1,-0.3 3,-0.3 0.680 90.4 56.9 -66.3 -14.1 33.1 59.0 15.0 95 131 A W G X> S+ 0 0 0 -3,-2.0 3,-2.2 1,-0.2 4,-0.6 0.724 82.4 92.6 -77.8 -20.7 35.0 58.3 18.3 96 132 A T T <4 S+ 0 0 3 -3,-1.6 3,-0.2 1,-0.3 -1,-0.2 0.671 90.5 33.1 -59.9 -39.3 33.3 61.2 20.1 97 133 A C T 34 S+ 0 0 31 -4,-0.3 -1,-0.3 -3,-0.3 33,-0.1 0.036 110.8 63.8-107.9 26.0 30.4 59.4 21.7 98 134 A K T <4 S+ 0 0 54 -3,-2.2 32,-1.1 1,-0.2 -28,-0.3 0.527 97.2 42.0-121.9 -12.1 32.0 56.0 22.3 99 135 A S >< - 0 0 0 -4,-0.6 3,-1.5 30,-0.3 -1,-0.2 -0.995 55.3-141.2-151.3 138.3 34.8 56.6 24.8 100 136 A P T 3> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 29,-0.1 0.652 103.9 74.8 -70.4 -10.6 36.0 58.4 28.0 101 137 A D H 3> S+ 0 0 1 27,-0.5 4,-2.4 2,-0.2 5,-0.2 0.673 82.7 70.2 -70.4 -18.5 39.3 58.7 26.0 102 138 A V H <> S+ 0 0 0 -3,-1.5 4,-2.9 2,-0.2 5,-0.2 0.985 100.4 40.2 -63.4 -62.6 37.6 61.4 23.9 103 139 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.927 113.5 58.5 -54.0 -41.1 37.5 64.1 26.7 104 140 A R H X S+ 0 0 21 -4,-1.4 4,-0.8 1,-0.2 -2,-0.2 0.905 111.9 38.5 -46.4 -52.7 41.0 62.9 27.6 105 141 A I H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 5,-0.5 0.862 114.7 53.1 -72.0 -37.5 42.3 63.7 24.1 106 142 A I H X S+ 0 0 16 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.952 109.8 48.6 -60.2 -46.3 40.3 66.9 23.7 107 143 A E H < S+ 0 0 102 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.703 119.3 40.3 -68.2 -19.3 41.7 68.2 27.0 108 144 A Q H < S+ 0 0 113 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.769 131.7 19.9 -96.4 -35.3 45.3 67.4 25.9 109 145 A D H < S- 0 0 71 -4,-3.0 4,-0.3 -5,-0.1 -3,-0.2 0.558 107.4-105.3-117.8 -10.3 45.2 68.4 22.2 110 146 A G X - 0 0 34 -4,-2.7 4,-2.2 -5,-0.5 5,-0.2 0.098 31.1 -88.3 94.5 148.9 42.3 70.8 21.8 111 147 A E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.925 123.0 50.3 -54.8 -51.7 38.8 70.4 20.2 112 148 A L H 4 S+ 0 0 61 2,-0.2 -1,-0.2 1,-0.2 88,-0.2 0.894 112.3 46.1 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-114,-0.3 0.936 115.9 40.2 -53.9 -48.6 14.3 64.9 1.5 352 388 A H H X S+ 0 0 25 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.907 113.3 54.0 -71.5 -39.5 11.7 66.2 3.9 353 389 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.952 115.2 39.7 -56.1 -50.5 9.7 63.0 4.0 354 390 A Q H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.4 0.875 111.3 57.0 -75.7 -39.4 12.8 61.0 5.0 355 391 A W H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.927 113.8 40.8 -49.0 -51.0 14.1 63.6 7.4 356 392 A R H X S+ 0 0 32 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.940 117.4 45.3 -68.1 -48.8 10.9 63.5 9.3 357 393 A A H X S+ 0 0 0 -4,-2.8 4,-1.3 -5,-0.2 -2,-0.2 0.896 115.4 48.3 -62.5 -39.6 10.4 59.7 9.2 358 394 A D H >X S+ 0 0 1 -4,-3.0 4,-2.9 1,-0.2 3,-0.7 0.948 108.8 53.9 -66.8 -44.0 14.1 59.1 10.2 359 395 A M H 3< S+ 0 0 0 -4,-2.2 4,-0.4 -5,-0.4 -1,-0.2 0.842 109.6 50.2 -58.0 -33.5 13.9 61.6 13.0 360 396 A A H 3< S+ 0 0 2 -4,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.828 122.5 28.2 -67.7 -37.8 10.9 59.6 14.3 361 397 A I H << S+ 0 0 13 -4,-1.3 -2,-0.2 -3,-0.7 -3,-0.2 0.525 98.9 82.5-107.3 -12.9 12.5 56.2 14.2 362 398 A A S < S+ 0 0 4 -4,-2.9 2,-0.7 -5,-0.2 -121,-0.5 0.799 84.7 64.7 -68.3 -27.7 16.2 57.0 14.7 363 399 A G S > S- 0 0 3 -4,-0.4 3,-1.1 -5,-0.3 4,-0.4 -0.889 78.4-154.7 -96.6 115.8 15.7 57.3 18.5 364 400 A H T 3 S+ 0 0 63 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.592 90.6 42.4 -68.6 -17.7 14.8 53.7 19.5 365 401 A G T >> S+ 0 0 20 1,-0.1 4,-2.8 2,-0.1 3,-2.3 0.451 86.0 95.3-100.2 -5.1 12.9 54.7 22.6 366 402 A S H <> S+ 0 0 0 -3,-1.1 4,-2.9 1,-0.3 8,-0.3 0.784 71.2 68.8 -59.7 -32.0 11.1 57.7 21.1 367 403 A F H 34 S+ 0 0 33 -4,-0.4 -1,-0.3 1,-0.2 8,-0.1 0.746 118.6 26.0 -54.5 -24.9 8.0 55.6 20.3 368 404 A F H <4 S+ 0 0 63 -3,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.760 119.9 54.8-101.3 -45.0 7.7 55.6 24.2 369 405 A H H < S+ 0 0 39 -4,-2.8 -117,-0.4 1,-0.2 -116,-0.4 0.862 135.7 2.7 -59.9 -39.7 9.6 58.8 25.2 370 406 A A S X S+ 0 0 2 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 -0.461 73.4 166.8-150.7 67.2 7.3 60.9 22.8 371 407 A P H > S+ 0 0 21 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.863 77.2 48.8 -59.3 -43.6 4.7 58.7 21.2 372 408 A E H > S+ 0 0 159 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.910 112.6 46.9 -67.4 -40.7 2.4 61.4 19.9 373 409 A E H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.914 111.2 54.7 -63.9 -39.8 5.3 63.4 18.3 374 410 A V H X S+ 0 0 1 -4,-2.6 4,-2.1 -8,-0.3 5,-0.2 0.939 111.6 41.9 -57.5 -56.1 6.6 60.1 16.8 375 411 A L H X S+ 0 0 44 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.920 113.6 52.9 -58.6 -44.1 3.3 59.2 15.1 376 412 A R H X S+ 0 0 105 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.934 111.3 47.4 -60.0 -40.8 2.8 62.8 14.0 377 413 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.896 112.4 47.2 -65.0 -42.1 6.3 62.8 12.4 378 414 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.902 113.6 48.4 -71.1 -40.3 5.8 59.5 10.6 379 415 A A H X S+ 0 0 52 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.907 113.7 48.0 -63.7 -41.5 2.4 60.6 9.3 380 416 A S H X S+ 0 0 24 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.931 112.3 49.4 -65.2 -44.9 4.0 63.9 8.2 381 417 A G H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.951 109.8 49.6 -54.2 -51.8 6.9 62.1 6.5 382 418 A N H X S+ 0 0 32 -4,-2.6 4,-3.5 1,-0.2 5,-0.2 0.933 107.9 54.9 -61.2 -43.7 4.6 59.7 4.6 383 419 A E H X S+ 0 0 106 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.879 109.0 47.2 -57.3 -40.9 2.5 62.7 3.4 384 420 A E H X S+ 0 0 20 -4,-2.0 4,-1.9 2,-0.2 -1,-0.3 0.897 113.2 50.0 -64.3 -36.0 5.7 64.3 1.9 385 421 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.936 110.9 48.5 -73.6 -42.3 6.5 60.9 0.4 386 422 A Q H X S+ 0 0 57 -4,-3.5 4,-2.5 1,-0.2 5,-0.2 0.917 108.6 52.5 -63.4 -40.7 3.1 60.6 -1.1 387 423 A K H X S+ 0 0 87 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.893 109.4 52.0 -60.3 -38.9 3.1 64.1 -2.5 388 424 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.937 110.3 48.2 -57.4 -48.6 6.5 63.1 -4.1 389 425 A R H X S+ 0 0 52 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.827 106.9 53.4 -67.8 -36.1 4.9 60.0 -5.7 390 426 A I H X S+ 0 0 117 -4,-2.5 4,-1.2 2,-0.2 3,-0.3 0.949 113.1 45.0 -62.3 -47.8 1.9 61.7 -7.1 391 427 A K H X S+ 0 0 68 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.825 110.8 56.0 -59.3 -33.7 4.2 64.2 -8.9 392 428 A L H X S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.867 97.5 61.2 -70.5 -34.2 6.4 61.3 -9.9 393 429 A V H X S+ 0 0 68 -4,-1.7 4,-2.9 1,-0.3 -1,-0.2 0.930 107.0 46.7 -59.5 -43.7 3.5 59.5 -11.7 394 430 A K H X S+ 0 0 160 -4,-1.2 4,-2.5 2,-0.2 -1,-0.3 0.856 111.6 49.1 -62.9 -43.2 3.3 62.5 -13.9 395 431 A V H X S+ 0 0 17 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.934 113.1 47.7 -66.5 -46.2 7.0 62.7 -14.6 396 432 A L H <>S+ 0 0 7 -4,-3.3 5,-2.8 1,-0.2 3,-0.4 0.931 110.8 52.9 -57.1 -44.9 7.0 58.9 -15.4 397 433 A A H ><5S+ 0 0 40 -4,-2.9 3,-2.2 -5,-0.3 5,-0.2 0.940 103.4 57.0 -55.4 -46.0 4.0 59.5 -17.6 398 434 A K H 3<5S+ 0 0 135 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.863 110.0 44.8 -57.0 -33.6 5.8 62.2 -19.5 399 435 A Y T 3<5S- 0 0 61 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.149 123.2 -98.7 -99.0 19.9 8.6 59.7 -20.4 400 436 A G T < 5S+ 0 0 74 -3,-2.2 -3,-0.2 -5,-0.1 3,-0.2 0.592 97.5 101.6 84.0 15.0 6.3 56.8 -21.4 401 437 A A > < + 0 0 15 -5,-2.8 3,-1.8 -6,-0.2 -4,-0.3 -0.112 24.8 132.8-128.2 39.9 6.5 54.9 -18.2 402 438 A I T 3 S+ 0 0 93 -6,-0.3 -5,-0.2 1,-0.3 -1,-0.2 0.805 76.6 54.6 -64.4 -29.0 3.3 55.5 -16.3 403 439 A D T 3 S+ 0 0 145 -3,-0.2 -1,-0.3 -7,-0.1 -2,-0.1 0.378 78.0 136.1 -89.0 6.6 2.8 51.8 -15.5 404 440 A Y < - 0 0 62 -3,-1.8 2,-0.5 -11,-0.1 -8,-0.0 -0.280 41.7-154.7 -53.1 133.1 6.2 51.4 -13.9 405 441 A V - 0 0 120 3,-0.0 3,-0.1 -76,-0.0 -1,-0.1 -0.970 18.8-124.2-116.8 119.3 6.2 49.4 -10.8 406 442 A A - 0 0 10 -2,-0.5 -81,-0.1 1,-0.1 -80,-0.1 -0.307 37.8-101.8 -61.3 140.3 9.1 50.2 -8.3 407 443 A P - 0 0 46 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.243 38.6-104.8 -60.6 160.1 11.0 47.0 -7.5 408 444 A D - 0 0 112 -3,-0.1 3,-0.1 1,-0.1 -3,-0.0 -0.446 28.3-175.1 -81.3 156.0 10.4 45.3 -4.2 409 445 A F + 0 0 13 -2,-0.1 -360,-0.2 1,-0.1 -361,-0.2 -0.268 34.2 134.8-147.5 47.0 12.8 45.5 -1.3 410 446 A E + 0 0 112 -365,-0.1 2,-0.3 -364,-0.1 -364,-0.1 0.407 65.8 51.6 -88.5 -4.4 11.4 43.2 1.3 411 447 A T S > S- 0 0 48 -366,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.981 83.3-123.6-124.5 148.1 14.6 41.4 2.1 412 448 A K H > S+ 0 0 7 -2,-0.3 4,-3.3 -370,-0.3 5,-0.2 0.886 114.0 54.1 -49.8 -36.8 18.0 43.0 3.1 413 449 A E H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 110.4 43.5 -65.7 -46.1 19.6 41.2 0.2 414 450 A K H > S+ 0 0 85 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.924 115.8 49.9 -68.2 -40.4 17.2 42.5 -2.4 415 451 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.927 109.3 49.3 -65.0 -44.9 17.4 46.0 -0.9 416 452 A Q H <>S+ 0 0 9 -4,-3.3 5,-2.6 1,-0.2 4,-0.4 0.841 107.1 56.9 -67.7 -30.7 21.3 46.0 -0.9 417 453 A K H ><5S+ 0 0 171 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.955 109.7 45.1 -59.6 -46.5 21.3 44.8 -4.6 418 454 A L H 3<5S+ 0 0 47 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.837 114.4 48.1 -64.3 -37.1 19.1 47.9 -5.4 419 455 A A T 3<5S- 0 0 11 -4,-1.9 -366,-0.4 -5,-0.1 -1,-0.3 0.405 111.9-124.7 -81.7 -2.8 21.4 50.1 -3.3 420 456 A K T < 5 + 0 0 170 -3,-1.0 2,-0.7 -4,-0.4 -3,-0.2 0.900 51.4 160.7 56.4 47.0 24.4 48.6 -5.0 421 457 A V < - 0 0 20 -5,-2.6 2,-1.8 -364,-0.1 3,-0.2 -0.882 32.5-158.2-101.1 113.3 26.1 47.5 -1.8 422 458 A D > + 0 0 98 -2,-0.7 4,-2.0 1,-0.2 3,-0.4 -0.568 22.8 170.2 -87.4 71.9 28.7 44.8 -2.2 423 459 A M H > S+ 0 0 36 -2,-1.8 4,-3.2 1,-0.2 5,-0.3 0.904 70.7 57.8 -56.9 -45.9 28.4 43.7 1.4 424 460 A E H > S+ 0 0 163 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 107.8 47.3 -46.3 -50.8 30.5 40.6 0.9 425 461 A A H > S+ 0 0 45 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.905 113.6 49.2 -57.0 -46.2 33.5 42.7 -0.3 426 462 A F H X S+ 0 0 62 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.900 110.6 48.4 -65.0 -41.8 33.0 45.1 2.6 427 463 A I H X S+ 0 0 37 -4,-3.2 4,-2.8 2,-0.2 -1,-0.2 0.923 111.3 50.9 -63.8 -40.9 32.9 42.3 5.2 428 464 A A H X S+ 0 0 58 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.949 112.6 45.3 -61.8 -50.4 36.1 40.7 3.7 429 465 A E H X S+ 0 0 97 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.839 112.8 53.6 -58.6 -39.1 38.0 44.0 3.8 430 466 A K H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.941 105.8 50.3 -66.0 -49.2 36.6 44.6 7.3 431 467 A L H X S+ 0 0 59 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.845 107.4 54.7 -58.2 -40.9 37.8 41.2 8.7 432 468 A K H X S+ 0 0 145 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.918 109.2 48.3 -56.9 -48.4 41.3 41.8 7.3 433 469 A F H <>S+ 0 0 6 -4,-1.7 5,-2.9 1,-0.2 3,-0.4 0.897 113.1 47.0 -58.2 -46.1 41.4 45.1 9.2 434 470 A K H <>S+ 0 0 12 -4,-2.2 5,-0.5 1,-0.2 -1,-0.2 0.840 112.7 50.9 -65.4 -36.3 40.2 43.4 12.5 435 471 A Q H <5S+ 0 0 134 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.680 128.8 12.9 -76.3 -18.9 42.7 40.7 12.0 436 472 A T T X5S+ 0 0 78 -4,-1.1 4,-1.9 -3,-0.4 3,-0.3 0.613 130.8 27.1-122.0 -82.6 45.7 43.1 11.5 437 473 A L H >5S+ 0 0 32 1,-0.2 4,-2.8 -5,-0.2 -3,-0.2 0.883 118.9 55.4 -61.4 -43.7 45.5 46.8 12.3 438 474 A E H >S+ 0 0 0 -4,-2.7 5,-2.9 -5,-0.2 6,-1.4 0.856 112.0 49.3 -53.8 -40.8 47.3 50.6 23.8 446 482 A I H <5S+ 0 0 67 -4,-2.1 3,-0.4 4,-0.2 -2,-0.2 0.894 112.5 48.5 -69.7 -39.6 47.7 47.7 26.3 447 483 A A H <5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.926 111.3 48.7 -61.8 -47.5 51.5 48.2 26.1 448 484 A K H <5S- 0 0 94 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.628 116.0-116.2 -68.3 -14.8 51.2 51.9 26.6 449 485 A G T <5S+ 0 0 43 -4,-0.6 -3,-0.2 -3,-0.4 -4,-0.1 0.728 85.5 115.2 83.9 23.4 48.9 51.3 29.6 450 486 A R S - 0 0 56 -2,-0.4 3,-2.2 1,-0.1 4,-0.2 -0.918 18.4-141.1-100.4 122.1 43.4 47.0 30.4 453 489 A P G > S+ 0 0 71 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.667 95.5 78.4 -63.5 -14.3 42.6 43.7 28.7 454 490 A E G > S+ 0 0 81 1,-0.2 3,-1.2 2,-0.2 -3,-0.0 0.870 88.5 58.4 -55.2 -33.7 40.1 43.0 31.5 455 491 A S G < S+ 0 0 33 -3,-2.2 -1,-0.2 1,-0.3 -326,-0.1 0.596 94.7 64.7 -77.1 -11.2 37.8 45.4 29.7 456 492 A L G X> + 0 0 46 -3,-1.4 3,-2.0 -4,-0.2 4,-0.5 0.470 67.8 134.1 -90.3 -6.2 37.9 43.3 26.4 457 493 A K T <4 S- 0 0 109 -3,-1.2 -3,-0.0 -4,-0.3 0, 0.0 -0.241 91.2 -22.0 -52.2 111.4 36.2 40.2 28.0 458 494 A G T >4 S+ 0 0 18 -2,-0.1 3,-0.6 1,-0.1 -1,-0.3 0.660 103.2 121.7 63.8 17.8 33.5 39.0 25.6 459 495 A V T <4 S+ 0 0 8 -3,-2.0 3,-0.3 1,-0.2 -2,-0.1 0.728 73.7 44.9 -85.0 -24.1 33.4 42.5 23.9 460 496 A D T 3< S+ 0 0 26 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 -0.085 78.9 102.3-116.0 38.9 34.3 41.2 20.4 461 497 A E S < S+ 0 0 47 -3,-0.6 7,-3.0 1,-0.1 8,-0.6 0.648 81.0 32.8 -90.7 -18.9 32.1 38.1 20.1 462 498 A K B +H 467 0G 21 -3,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.990 48.1 149.4-144.4 155.2 29.4 39.5 17.8 463 499 A S - 0 0 9 3,-2.6 -426,-0.1 -2,-0.3 -424,-0.1 -0.845 64.0 -83.1-157.0-173.1 28.6 41.9 15.0 464 500 A S S S+ 0 0 23 -2,-0.3 3,-0.1 1,-0.2 -425,-0.1 0.665 129.1 41.5 -71.7 -14.3 26.0 42.0 12.2 465 501 A Y S S+ 0 0 37 1,-0.2 2,-0.3 -38,-0.0 -1,-0.2 0.528 120.5 24.6-120.2 -9.6 28.4 39.8 10.2 466 502 A Y - 0 0 43 -3,-0.0 -3,-2.6 0, 0.0 2,-0.2 -0.980 51.0-169.6-141.6 169.1 29.8 37.3 12.6 467 503 A D B -H 462 0G 89 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.747 10.4-174.6-157.3 100.6 28.7 35.7 15.9 468 504 A K - 0 0 133 -7,-3.0 -6,-0.1 -2,-0.2 -1,-0.1 0.674 52.2-121.8 -66.2 -22.5 31.2 33.6 17.9 469 505 A T S S+ 0 0 91 -8,-0.6 -7,-0.1 -3,-0.1 -1,-0.0 0.111 84.5 68.6 113.4 -7.9 28.0 32.9 20.1 470 506 A K 0 0 137 -9,-0.1 -435,-0.1 1,-0.1 -8,-0.1 0.776 360.0 360.0-116.6 -31.9 28.9 34.1 23.8 471 507 A K 0 0 28 -436,-0.1 -10,-0.1 0, 0.0 -1,-0.1 0.023 360.0 360.0 8.4 360.0 29.3 37.9 24.4