==== 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 3BNG . 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) . 21833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 67.7 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 . 1 0.2 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 . 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 . 11 2.3 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 4 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 0.000 360.0 360.0 360.0 166.5 35.2 66.8 49.7 2 38 A T > - 0 0 29 137,-0.4 3,-0.7 1,-0.0 138,-0.0 -0.444 360.0-106.8 -96.5 177.4 36.0 63.4 48.1 3 39 A A T 3 S+ 0 0 81 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.393 121.7 47.3 -81.7 1.0 38.7 60.9 48.9 4 40 A H T > + 0 0 6 135,-0.4 3,-2.7 1,-0.1 -1,-0.2 -0.196 67.4 146.6-135.3 41.8 40.3 62.0 45.5 5 41 A S T < S+ 0 0 35 -3,-0.7 3,-0.1 1,-0.3 -2,-0.1 0.657 72.9 52.8 -62.4 -19.4 40.1 65.8 45.8 6 42 A Q T 3 S- 0 0 164 1,-0.3 -1,-0.3 -3,-0.1 133,-0.1 0.442 121.2-100.3 -96.3 2.2 43.3 66.3 43.9 7 43 A G < - 0 0 23 -3,-2.7 2,-0.5 131,-0.3 -1,-0.3 -0.349 36.7 -73.4 105.4 171.9 42.0 64.1 41.0 8 44 A I > - 0 0 10 -2,-0.1 3,-1.6 -3,-0.1 2,-0.3 -0.935 34.0-133.3-115.5 119.1 42.5 60.6 39.8 9 45 A E T 3 S+ 0 0 186 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.511 100.3 14.8 -66.2 126.2 45.7 59.4 38.0 10 46 A G T > S+ 0 0 31 -2,-0.3 3,-2.7 1,-0.1 6,-0.3 0.762 81.0 166.4 77.6 25.4 44.5 57.5 35.0 11 47 A K T < + 0 0 61 -3,-1.6 122,-0.4 1,-0.3 -2,-0.1 0.658 64.9 67.2 -46.6 -30.2 41.0 58.9 35.2 12 48 A A T 3 S+ 0 0 4 -4,-0.1 2,-0.8 120,-0.1 -1,-0.3 0.697 86.3 76.5 -70.8 -19.0 40.0 57.8 31.7 13 49 A M S X S- 0 0 32 -3,-2.7 3,-2.4 1,-0.1 4,-0.3 -0.865 75.3-153.6 -92.0 112.3 40.2 54.2 32.8 14 50 A S G >> S+ 0 0 2 -2,-0.8 3,-2.3 1,-0.3 4,-0.5 0.783 90.1 71.3 -57.9 -26.9 37.0 53.6 34.8 15 51 A E G >4 S+ 0 0 44 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.765 86.7 67.0 -63.1 -22.5 38.7 50.9 36.8 16 52 A E G <4 S+ 0 0 81 -3,-2.4 -1,-0.3 -6,-0.3 3,-0.3 0.641 97.3 53.8 -68.5 -16.7 40.7 53.7 38.5 17 53 A W G X> S+ 0 0 7 -3,-2.3 4,-1.9 -4,-0.3 3,-1.4 0.620 84.8 86.0 -92.7 -13.9 37.5 54.9 40.1 18 54 A A T << S+ 0 0 28 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.1 0.750 78.6 63.6 -60.4 -31.1 36.7 51.5 41.6 19 55 A R T 34 S+ 0 0 201 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.753 114.9 32.1 -69.4 -21.6 38.8 52.1 44.8 20 56 A Y T <4 S+ 0 0 71 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.759 132.6 27.9 -98.1 -32.8 36.5 55.0 45.7 21 57 A Y X + 0 0 61 -4,-1.9 4,-2.7 1,-0.1 5,-0.2 -0.509 60.8 159.7-135.8 62.3 33.2 53.8 44.4 22 58 A P H > S+ 0 0 75 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.833 77.4 51.8 -58.8 -34.0 32.9 50.0 44.2 23 59 A R H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 254,-0.2 0.923 113.4 42.4 -72.4 -45.1 29.1 49.9 44.1 24 60 A Q H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.895 115.8 51.0 -64.2 -41.8 28.8 52.4 41.2 25 61 A F H X S+ 0 0 24 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.931 110.0 49.5 -60.4 -45.7 31.7 50.6 39.4 26 62 A D H X S+ 0 0 73 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.2 0.913 115.4 42.0 -62.2 -43.5 30.1 47.2 39.9 27 63 A S H >< S+ 0 0 2 -4,-2.1 3,-0.7 1,-0.2 4,-0.2 0.897 111.5 56.3 -70.9 -42.3 26.7 48.3 38.5 28 64 A W H >< S+ 0 0 39 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.900 105.4 51.9 -52.0 -44.4 28.3 50.3 35.7 29 65 A K H >< S+ 0 0 66 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.756 92.1 76.6 -69.8 -22.5 30.2 47.2 34.5 30 66 A K G X< + 0 0 96 -4,-0.7 3,-2.2 -3,-0.7 -1,-0.3 0.552 65.5 88.0 -73.1 -2.5 27.0 45.1 34.3 31 67 A T G X S+ 0 0 2 -3,-1.4 3,-1.6 1,-0.3 34,-0.3 0.699 70.1 82.9 -65.7 -11.2 25.9 46.9 31.1 32 68 A K G < S+ 0 0 67 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.769 77.6 68.5 -49.4 -31.4 28.0 43.9 29.7 33 69 A E G < S+ 0 0 122 -3,-2.2 2,-1.4 1,-0.2 -1,-0.3 0.710 82.8 72.8 -68.7 -21.9 24.7 42.0 30.2 34 70 A S < + 0 0 34 -3,-1.6 31,-2.6 -4,-0.2 -1,-0.2 -0.675 59.6 138.5 -93.3 79.2 23.0 43.9 27.4 35 71 A D + 0 0 6 -2,-1.4 -1,-0.2 29,-0.2 2,-0.1 0.350 20.0 128.8-108.4 6.0 24.9 42.2 24.6 36 72 A N - 0 0 105 -3,-0.1 2,-0.6 27,-0.1 29,-0.1 -0.426 44.7-151.4 -72.6 135.3 22.3 41.5 22.0 37 73 A I - 0 0 37 -2,-0.1 2,-0.7 426,-0.1 426,-0.1 -0.938 11.7-173.0-100.4 112.4 22.9 42.6 18.4 38 74 A T - 0 0 53 -2,-0.6 24,-2.4 24,-0.3 2,-0.8 -0.949 19.2-142.5-105.0 114.6 19.7 43.5 16.6 39 75 A D B > -A 61 0A 14 -2,-0.7 4,-2.1 22,-0.2 22,-0.2 -0.697 13.3-167.7 -79.7 106.9 20.5 44.1 13.0 40 76 A M H > S+ 0 0 26 20,-1.6 4,-2.7 -2,-0.8 7,-0.2 0.773 85.5 56.8 -72.4 -23.8 18.0 47.0 12.0 41 77 A L H 4 S+ 0 0 0 19,-1.0 -1,-0.2 2,-0.2 7,-0.2 0.845 109.5 46.5 -74.0 -35.5 18.7 46.6 8.3 42 78 A K H 4 S+ 0 0 128 1,-0.1 -2,-0.2 2,-0.1 370,-0.2 0.914 118.9 41.3 -66.7 -44.0 17.6 43.0 8.6 43 79 A E H < S+ 0 0 124 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.871 132.1 23.0 -70.4 -39.4 14.5 44.0 10.6 44 80 A K >< + 0 0 25 -4,-2.7 3,-2.3 -5,-0.1 4,-0.4 -0.692 66.5 172.3-130.8 72.8 13.6 47.1 8.5 45 81 A P T >> S+ 0 0 16 0, 0.0 3,-1.3 0, 0.0 4,-1.0 0.733 72.4 76.5 -62.4 -19.4 15.2 46.6 5.1 46 82 A A H 3> S+ 0 0 19 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.831 85.1 66.1 -54.0 -32.2 13.3 49.8 3.9 47 83 A L H <> S+ 0 0 2 -3,-2.3 4,-2.4 -7,-0.2 -1,-0.3 0.825 92.4 59.8 -61.5 -30.3 16.1 51.6 5.8 48 84 A V H <4 S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.929 107.7 43.8 -63.1 -45.0 18.6 50.3 3.3 49 85 A V H >< S+ 0 0 0 -4,-1.0 3,-1.4 1,-0.2 -2,-0.2 0.921 112.4 54.0 -63.4 -42.3 16.8 52.0 0.4 50 86 A A H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.896 115.3 39.4 -59.6 -39.7 16.4 55.2 2.6 51 87 A W T >< S+ 0 0 0 -4,-2.4 3,-2.3 -5,-0.2 6,-0.6 0.219 79.7 147.3 -99.3 18.7 20.2 55.3 3.3 52 88 A A T < S+ 0 0 0 -3,-1.4 178,-2.4 1,-0.3 179,-0.3 -0.293 73.2 23.3 -56.0 130.2 21.4 54.3 -0.2 53 89 A G T 3 S+ 0 0 54 366,-0.4 -1,-0.3 1,-0.3 175,-0.2 0.421 111.1 90.3 91.3 2.3 24.7 56.1 -0.8 54 90 A Y S X S- 0 0 39 -3,-2.3 3,-2.3 173,-0.1 -1,-0.3 -0.920 87.9-111.3-132.9 150.5 25.4 56.5 2.9 55 91 A P G >> S+ 0 0 31 0, 0.0 3,-2.4 0, 0.0 4,-1.1 0.762 109.3 71.6 -57.6 -27.0 27.3 54.2 5.3 56 92 A F G 34 S+ 0 0 16 1,-0.3 -5,-0.1 2,-0.2 -4,-0.1 0.677 85.7 68.9 -62.7 -14.6 24.1 53.3 7.2 57 93 A S G <4 S+ 0 0 6 -3,-2.3 -1,-0.3 -6,-0.6 3,-0.1 0.646 101.7 47.7 -74.4 -12.9 23.1 51.3 4.2 58 94 A K T <4 S- 0 0 30 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.827 127.7 -4.7 -88.4 -43.8 26.0 48.9 5.1 59 95 A D < + 0 0 1 -4,-1.1 -1,-0.3 17,-0.1 2,-0.2 -0.936 59.5 156.9-164.4 124.5 25.5 48.3 8.9 60 96 A Y + 0 0 25 -2,-0.3 -20,-1.6 -3,-0.1 -19,-1.0 -0.801 13.7 174.2-158.6 115.4 23.1 49.7 11.4 61 97 A N B -A 39 0A 34 -22,-0.2 -22,-0.2 -2,-0.2 3,-0.1 -0.793 36.0 -96.3-121.1 160.8 22.1 47.9 14.6 62 98 A A - 0 0 22 -24,-2.4 -24,-0.3 -2,-0.3 -1,-0.1 -0.345 54.3 -87.6 -69.5 159.8 20.1 48.8 17.7 63 99 A P - 0 0 92 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.334 47.4-177.9 -67.9 148.2 21.9 50.1 20.7 64 100 A R - 0 0 29 1,-0.2 -29,-0.2 -3,-0.1 -32,-0.1 -0.623 43.2 -36.4-128.8-164.8 23.2 47.7 23.3 65 101 A G > - 0 0 4 -31,-2.6 3,-2.5 -34,-0.3 4,-0.3 -0.142 50.8-118.4 -61.5 150.9 25.0 48.2 26.6 66 102 A H G > S+ 0 0 44 213,-0.4 3,-1.7 1,-0.3 4,-0.4 0.765 110.1 74.5 -50.8 -30.9 27.5 51.0 27.2 67 103 A Y G 3 S+ 0 0 12 1,-0.3 -1,-0.3 -39,-0.2 4,-0.3 0.776 101.1 42.5 -54.6 -26.7 30.1 48.3 27.8 68 104 A Y G <> S+ 0 0 0 -3,-2.5 4,-2.8 -34,-0.2 -1,-0.3 0.417 83.7 101.9-102.3 -0.6 30.1 47.7 24.0 69 105 A A H <> S+ 0 0 16 -3,-1.7 4,-2.0 -4,-0.3 5,-0.2 0.918 85.7 40.7 -56.3 -51.3 30.1 51.3 22.7 70 106 A L H > S+ 0 0 10 -4,-0.4 4,-1.8 28,-0.3 -1,-0.2 0.947 118.0 47.3 -63.5 -45.6 33.8 51.6 21.8 71 107 A Q H > S+ 0 0 4 -4,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.882 110.1 53.1 -67.6 -32.8 34.0 48.1 20.4 72 108 A D H X S+ 0 0 39 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.879 105.8 54.3 -70.4 -34.6 30.8 48.6 18.3 73 109 A N H < S+ 0 0 14 -4,-2.0 6,-0.2 -5,-0.2 -1,-0.2 0.888 113.5 42.7 -59.8 -41.6 32.3 51.8 16.9 74 110 A I H < S+ 0 0 4 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.888 117.2 47.0 -73.5 -40.0 35.3 49.7 15.8 75 111 A N H < S+ 0 0 3 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.824 84.1 104.4 -74.8 -35.5 33.1 46.8 14.5 76 112 A T S >< S- 0 0 13 -4,-2.6 3,-1.2 -5,-0.2 4,-0.3 -0.163 72.3-133.8 -51.6 138.8 30.6 48.6 12.5 77 113 A L G > S+ 0 0 2 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.778 100.0 77.5 -62.1 -21.0 31.1 48.4 8.8 78 114 A R G 3 S+ 0 0 60 1,-0.3 -1,-0.2 -19,-0.1 -2,-0.1 0.846 91.1 51.1 -59.2 -33.9 30.5 52.2 8.7 79 115 A T G < S- 0 0 2 -3,-1.2 11,-0.3 -6,-0.2 -1,-0.3 0.524 98.3-164.9 -84.3 -4.9 34.0 52.9 10.0 80 116 A G < - 0 0 5 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 -0.082 32.5 -49.4 67.8-153.7 35.4 50.7 7.3 81 117 A A - 0 0 15 352,-0.1 7,-0.2 -4,-0.0 -1,-0.2 -0.654 53.0-173.3-133.3 74.0 38.9 49.2 7.1 82 118 A P - 0 0 3 0, 0.0 355,-0.2 0, 0.0 3,-0.1 -0.276 13.7-161.3 -61.1 153.7 41.8 51.7 7.6 83 119 A V S S- 0 0 110 1,-0.2 2,-0.3 354,-0.1 5,-0.0 0.472 74.0 -8.7-109.3 -8.3 45.3 50.5 7.1 84 120 A D S > S- 0 0 73 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 -0.895 93.7 -68.3-168.7-171.5 46.9 53.3 9.1 85 121 A G T 3 S+ 0 0 33 -2,-0.3 33,-0.5 1,-0.2 36,-0.3 0.504 124.8 51.2 -78.1 -2.8 46.1 56.6 10.8 86 122 A K T 3 S+ 0 0 175 34,-0.1 -1,-0.2 31,-0.1 2,-0.2 0.197 101.8 67.2-116.2 9.2 45.4 58.5 7.5 87 123 A T < + 0 0 47 -3,-1.2 33,-0.6 31,-0.0 34,-0.1 -0.675 53.5 80.7-128.2-179.6 42.9 56.1 5.9 88 124 A G S S- 0 0 21 -7,-0.2 -8,-0.1 -2,-0.2 -9,-0.1 -0.057 77.4 -93.5 93.9 154.0 39.4 54.7 6.4 89 125 A P S S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 0.804 94.5 65.8 -76.2 -29.6 36.2 56.5 5.4 90 126 A L S S- 0 0 37 -11,-0.3 29,-3.1 1,-0.1 30,-0.4 -0.576 73.5-116.5-107.3 158.0 35.2 58.3 8.6 91 127 A P B > -B 118 0B 24 0, 0.0 3,-2.1 0, 0.0 27,-0.3 -0.318 33.9 -98.7 -86.7 169.1 36.6 61.2 10.7 92 128 A S G > S+ 0 0 0 25,-2.4 3,-2.2 1,-0.3 4,-0.3 0.753 112.8 77.0 -52.1 -31.9 38.0 61.5 14.2 93 129 A A G > S+ 0 0 4 24,-0.3 3,-1.6 1,-0.3 4,-0.3 0.728 75.8 77.8 -55.2 -21.5 34.6 62.9 15.3 94 130 A C G < S+ 0 0 26 -3,-2.1 -1,-0.3 1,-0.3 3,-0.2 0.679 90.3 53.8 -68.3 -13.9 33.3 59.3 15.2 95 131 A W G X S+ 0 0 0 -3,-2.2 3,-2.1 1,-0.1 4,-0.5 0.660 82.1 96.8 -81.0 -16.9 35.0 58.6 18.6 96 132 A T T < S+ 0 0 4 -3,-1.6 3,-0.3 1,-0.3 -1,-0.1 0.722 88.4 33.9 -57.8 -37.1 33.4 61.5 20.4 97 133 A C T 3 S+ 0 0 26 -4,-0.3 -1,-0.3 -3,-0.2 33,-0.1 -0.017 110.4 66.7-107.9 32.2 30.5 59.8 22.1 98 134 A K S < S+ 0 0 54 -3,-2.1 32,-0.8 1,-0.2 -28,-0.3 0.502 95.3 32.5-126.3 -9.9 32.2 56.4 22.7 99 135 A S > - 0 0 0 -4,-0.5 3,-1.4 -3,-0.3 -1,-0.2 -0.996 56.3-133.1-163.7 138.3 34.9 56.9 25.2 100 136 A P T 3> S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 29,-0.1 0.618 105.1 74.6 -70.7 -10.5 36.3 58.8 28.3 101 137 A D H 3> S+ 0 0 2 27,-0.5 4,-2.6 2,-0.2 5,-0.2 0.731 83.0 69.8 -70.4 -18.8 39.5 59.0 26.3 102 138 A V H <> S+ 0 0 0 -3,-1.4 4,-2.8 2,-0.2 5,-0.2 0.981 100.8 40.9 -65.6 -56.7 37.7 61.7 24.2 103 139 A P H > S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.895 114.3 56.0 -58.2 -36.4 37.7 64.4 27.0 104 140 A R H X S+ 0 0 20 -4,-1.3 4,-0.6 2,-0.2 -2,-0.2 0.929 111.5 41.9 -54.5 -49.5 41.2 63.3 27.9 105 141 A I H X>S+ 0 0 1 -4,-2.6 4,-3.6 2,-0.2 5,-0.6 0.868 114.7 50.0 -71.6 -37.9 42.4 64.0 24.3 106 142 A I H X5S+ 0 0 22 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.933 108.1 53.9 -61.8 -43.7 40.5 67.2 23.9 107 143 A E H <5S+ 0 0 108 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.694 122.2 31.5 -65.0 -16.2 41.9 68.4 27.3 108 144 A Q H <5S+ 0 0 122 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.825 130.2 27.8-106.8 -52.2 45.4 67.7 25.8 109 145 A D H <5S- 0 0 60 -4,-3.6 4,-0.4 1,-0.2 -3,-0.2 0.639 108.5-116.1 -86.5 -19.8 45.3 68.3 21.9 110 146 A G X< - 0 0 31 -4,-1.7 4,-2.4 -5,-0.6 5,-0.2 0.009 29.1 -82.2 89.4 156.0 42.5 70.9 22.0 111 147 A E H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.912 126.1 49.3 -58.9 -49.5 39.1 70.6 20.4 112 148 A L H 4 S+ 0 0 63 2,-0.2 -1,-0.2 1,-0.2 88,-0.2 0.940 113.0 46.3 -62.9 -44.5 40.1 71.6 16.9 113 149 A E H >4 S+ 0 0 40 -4,-0.4 3,-2.0 1,-0.2 -1,-0.2 0.943 110.9 52.7 -60.8 -46.7 43.0 69.2 16.8 114 150 A Y H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.907 110.2 49.1 -53.1 -45.1 40.9 66.4 18.2 115 151 A F T 3< S+ 0 0 1 -4,-2.3 85,-2.7 -5,-0.2 2,-0.5 0.373 95.9 94.8 -77.4 5.0 38.3 67.1 15.4 116 152 A T B < S+C 199 0C 17 -3,-2.0 83,-0.2 83,-0.3 2,-0.1 -0.851 77.2 5.4-103.4 131.0 41.1 67.0 12.7 117 153 A G S S- 0 0 41 81,-0.6 -25,-2.4 -2,-0.5 -24,-0.3 -0.420 92.2 -31.1 100.5-171.1 41.9 63.9 10.7 118 154 A K B > -B 91 0B 72 -33,-0.5 3,-1.3 -27,-0.3 4,-0.4 -0.332 49.2-115.3 -86.8 158.4 40.6 60.4 10.3 119 155 A W G > S+ 0 0 3 -29,-3.1 3,-1.7 1,-0.2 4,-0.2 0.939 117.8 61.6 -52.0 -44.8 38.9 58.1 12.8 120 156 A A G > S+ 0 0 5 -33,-0.6 3,-1.4 -30,-0.4 4,-0.3 0.700 82.7 82.9 -60.2 -19.7 41.9 55.8 12.5 121 157 A K G < S+ 0 0 61 -3,-1.3 -1,-0.3 -36,-0.3 3,-0.2 0.822 100.9 33.5 -51.0 -37.8 44.2 58.7 13.8 122 158 A Y G X> S+ 0 0 10 -3,-1.7 4,-2.7 -4,-0.4 3,-2.2 0.219 78.0 119.9-109.8 16.3 43.3 57.8 17.4 123 159 A G T <4 S+ 0 0 3 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.781 82.9 42.1 -57.4 -31.0 42.9 54.0 17.3 124 160 A D T 34 S+ 0 0 47 -4,-0.3 -1,-0.3 -3,-0.2 326,-0.1 0.365 120.0 43.8 -98.8 11.8 45.6 53.4 19.8 125 161 A E T <4 S+ 0 0 40 -3,-2.2 2,-1.0 1,-0.2 3,-0.2 0.678 101.9 61.4-116.6 -38.0 44.6 56.3 22.2 126 162 A I < + 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 325,-0.1 -0.796 65.1 129.2-100.7 95.1 40.8 56.0 22.4 127 163 A V + 0 0 12 -2,-1.0 2,-0.4 323,-0.2 -1,-0.2 0.434 39.6 83.8-136.0 -7.8 40.5 52.6 23.9 128 164 A N - 0 0 6 -3,-0.2 -27,-0.5 323,-0.1 3,-0.1 -0.843 69.0-130.3-102.3 143.0 38.2 52.8 26.9 129 165 A T - 0 0 26 -2,-0.4 -30,-0.2 1,-0.2 -115,-0.2 -0.410 58.5 -39.7 -89.9 171.7 34.4 52.6 26.6 130 166 A I S S+ 0 0 32 -32,-0.8 2,-0.2 -64,-0.4 -1,-0.2 0.117 83.2 174.9 -30.7 111.4 31.7 55.0 28.1 131 167 A G >> - 0 0 4 -3,-0.1 3,-2.0 1,-0.0 4,-0.6 -0.680 49.1 -88.6-129.3 176.9 33.2 55.6 31.6 132 168 A C H >> S+ 0 0 21 1,-0.3 4,-1.9 -2,-0.2 3,-1.4 0.858 120.5 60.7 -51.0 -38.2 33.0 57.5 34.9 133 169 A Y H 34 S+ 0 0 8 -122,-0.4 -1,-0.3 1,-0.3 5,-0.1 0.645 92.7 64.9 -70.6 -17.5 35.1 60.3 33.3 134 170 A N H <4 S+ 0 0 13 -3,-2.0 12,-0.5 1,-0.1 -1,-0.3 0.708 120.7 19.6 -71.1 -23.6 32.4 61.0 30.6 135 171 A C H << S+ 0 0 34 -3,-1.4 9,-2.2 -4,-0.6 2,-0.4 0.567 116.4 61.2-122.5 -13.0 30.0 62.1 33.3 136 172 A H B < S-E 143 0D 41 -4,-1.9 2,-0.3 7,-0.3 7,-0.2 -0.950 72.4-118.8-127.7 144.3 31.9 63.0 36.5 137 173 A D > - 0 0 34 5,-2.8 4,-1.9 -2,-0.4 -130,-0.1 -0.572 26.1-139.4 -69.1 131.9 34.5 65.5 37.7 138 174 A D T 4 S+ 0 0 18 -2,-0.3 -131,-0.3 2,-0.2 -1,-0.1 0.473 98.3 41.0 -82.4 0.4 37.5 63.4 38.9 139 175 A K T 4 S+ 0 0 109 -132,-0.1 -137,-0.4 -133,-0.1 -135,-0.4 0.756 132.0 18.9-103.4 -49.6 38.0 65.7 41.9 140 176 A S T 4 S- 0 0 38 2,-0.1 -2,-0.2 -139,-0.1 3,-0.1 0.593 87.5-135.4 -99.4 -13.5 34.5 66.4 43.2 141 177 A A < + 0 0 25 -4,-1.9 -3,-0.1 1,-0.2 3,-0.1 0.529 54.9 148.2 61.7 8.4 32.6 63.5 41.5 142 178 A E - 0 0 120 1,-0.1 -5,-2.8 -6,-0.1 -1,-0.2 -0.373 60.1 -92.1 -67.0 152.2 29.9 66.0 40.5 143 179 A L B +E 136 0D 33 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.3 -0.401 55.9 174.2 -61.7 136.3 28.0 65.5 37.3 144 180 A K - 0 0 68 -9,-2.2 2,-0.5 -2,-0.1 -3,-0.0 -0.989 35.2-129.2-148.2 138.7 29.8 67.4 34.4 145 181 A S - 0 0 26 -2,-0.3 -10,-0.1 1,-0.1 29,-0.1 -0.803 21.4-169.2 -80.1 133.5 29.4 67.7 30.7 146 182 A K + 0 0 29 -12,-0.5 -1,-0.1 -2,-0.5 -11,-0.1 0.347 59.4 77.9-107.3 3.5 32.8 67.0 29.2 147 183 A V >> - 0 0 10 -13,-0.1 3,-1.0 1,-0.1 4,-0.6 -0.955 66.4-146.7-123.2 132.5 32.1 68.1 25.6 148 184 A P H 3> S+ 0 0 40 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.751 89.6 68.5 -73.5 -20.8 32.0 71.7 24.5 149 185 A Y H 3> S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 55,-0.3 0.751 90.5 63.2 -72.7 -22.6 29.3 71.3 21.8 150 186 A L H <> S+ 0 0 0 -3,-1.0 4,-3.1 2,-0.2 -1,-0.2 0.965 106.3 41.7 -65.2 -52.7 26.5 70.5 24.3 151 187 A D H X S+ 0 0 53 -4,-0.6 4,-2.8 1,-0.2 5,-0.3 0.913 113.2 55.7 -61.8 -37.3 26.6 73.9 26.0 152 188 A R H X S+ 0 0 125 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.940 112.0 43.4 -56.1 -47.6 27.1 75.5 22.5 153 189 A G H X S+ 0 0 3 -4,-2.3 4,-1.7 2,-0.2 6,-0.2 0.930 111.8 52.4 -67.0 -44.6 23.8 73.8 21.5 154 190 A L H <>S+ 0 0 2 -4,-3.1 5,-3.0 2,-0.2 3,-0.3 0.936 112.4 45.1 -55.4 -49.2 22.0 74.6 24.7 155 191 A S H ><5S+ 0 0 67 -4,-2.8 3,-2.2 1,-0.2 -1,-0.2 0.939 109.7 54.4 -62.4 -48.3 22.8 78.3 24.4 156 192 A A H 3<5S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.809 110.8 47.6 -55.5 -30.9 21.9 78.5 20.7 157 193 A A T 3<5S- 0 0 25 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.404 121.4-107.1 -91.4 -1.2 18.5 77.0 21.6 158 194 A G T < 5S+ 0 0 72 -3,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.577 76.6 133.0 86.6 10.9 17.9 79.5 24.4 159 195 A F < - 0 0 69 -5,-3.0 -1,-0.3 -6,-0.2 2,-0.1 -0.521 64.1 -96.9 -87.3 159.5 18.4 76.8 27.2 160 196 A K - 0 0 88 -2,-0.2 -1,-0.1 -3,-0.1 5,-0.1 -0.437 43.6-109.8 -66.5 149.6 20.6 77.2 30.3 161 197 A T > - 0 0 21 -2,-0.1 4,-0.7 -7,-0.1 -1,-0.1 -0.233 36.0 -96.9 -69.1 169.3 24.1 75.8 30.0 162 198 A F T >4 S+ 0 0 8 1,-0.2 3,-1.4 2,-0.2 8,-0.1 0.934 126.0 48.5 -54.8 -52.1 25.0 72.7 32.0 163 199 A A T 34 S+ 0 0 79 1,-0.3 -1,-0.2 -18,-0.1 7,-0.1 0.830 112.5 49.8 -60.7 -34.1 26.6 74.8 34.9 164 200 A E T 34 S+ 0 0 125 -3,-0.0 -1,-0.3 2,-0.0 -2,-0.2 0.548 96.3 99.0 -78.0 -10.5 23.5 77.1 35.0 165 201 A S S << S- 0 0 13 -3,-1.4 -4,-0.0 -4,-0.7 2,-0.0 -0.355 77.7-104.7 -82.9 160.3 21.1 74.1 35.1 166 202 A T > - 0 0 70 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.296 35.2-106.8 -70.8 164.0 19.3 72.5 38.1 167 203 A H H > S+ 0 0 116 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.913 122.5 50.8 -57.4 -43.3 20.4 69.2 39.5 168 204 A Q H 4 S+ 0 0 65 1,-0.2 -1,-0.2 2,-0.2 92,-0.2 0.886 109.4 50.5 -66.5 -36.0 17.4 67.4 38.0 169 205 A E H >> S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 3,-1.9 0.906 107.0 55.0 -65.0 -40.7 18.2 69.0 34.6 170 206 A K H 3X S+ 0 0 51 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.824 95.3 67.5 -59.8 -32.3 21.8 67.8 34.9 171 207 A R H 3< S+ 0 0 13 -4,-1.5 89,-1.4 1,-0.2 -1,-0.3 0.498 113.8 30.3 -70.9 -6.0 20.5 64.2 35.5 172 208 A S H X> S+ 0 0 5 -3,-1.9 4,-1.5 87,-0.2 3,-0.7 0.581 113.5 61.2-109.2 -38.4 19.3 64.4 31.8 173 209 A L H 3X S+ 0 0 8 -4,-2.7 4,-0.6 1,-0.3 -2,-0.2 0.817 94.1 63.5 -64.5 -29.4 22.0 66.7 30.3 174 210 A V H >< S+ 0 0 17 -4,-2.3 3,-0.7 1,-0.2 -1,-0.3 0.902 107.5 44.3 -59.6 -37.3 24.8 64.3 31.2 175 211 A C H X> S+ 0 0 42 -3,-0.7 4,-2.8 1,-0.2 3,-2.1 0.833 102.8 66.8 -70.4 -37.6 23.1 61.8 28.8 176 212 A A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.512 77.8 81.6 -64.2 -11.3 22.6 64.6 26.2 177 213 A Q T << S+ 0 0 5 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.833 120.0 5.1 -54.8 -32.6 26.3 64.9 25.7 178 214 A C T <4 S+ 0 0 33 -3,-2.1 2,-1.9 -4,-0.2 -2,-0.2 0.673 115.4 76.8-122.8 -36.6 25.8 61.8 23.4 179 215 A H S < S+ 0 0 78 -4,-2.8 65,-2.7 63,-0.1 66,-0.3 -0.412 81.7 91.7 -87.6 61.1 22.1 61.1 23.1 180 216 A V S S- 0 0 3 -2,-1.9 2,-0.3 63,-0.2 63,-0.1 -0.928 80.2 -95.4-145.5 161.4 21.4 63.9 20.7 181 217 A E + 0 0 0 -2,-0.3 2,-0.3 61,-0.1 60,-0.1 -0.637 51.2 165.3 -79.6 143.8 21.2 64.7 16.9 182 218 A F - 0 0 36 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.924 24.5-157.2-149.1 167.1 24.3 66.2 15.4 183 219 A Y E -D 203 0C 7 20,-2.5 20,-2.6 -2,-0.3 2,-0.6 -0.919 29.1-108.3-140.4 169.9 26.1 67.0 12.3 184 220 A F E -D 202 0C 39 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.931 27.0-154.1-100.6 120.6 29.8 67.6 11.4 185 221 A K E -D 201 0C 113 16,-2.8 16,-2.3 -2,-0.6 2,-0.3 -0.844 18.6-127.4 -97.2 119.0 30.7 71.2 10.5 186 222 A K E -D 200 0C 142 -2,-0.6 2,-0.5 14,-0.2 14,-0.2 -0.525 35.2-172.8 -64.2 121.5 33.6 71.6 8.2 187 223 A T E -D 199 0C 39 12,-3.1 12,-3.4 -2,-0.3 2,-0.3 -0.966 15.1-151.8-131.5 112.6 35.8 74.0 10.1 188 224 A E E +D 198 0C 120 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.638 30.4 153.7 -83.1 139.3 39.0 75.6 8.8 189 225 A W E -D 197 0C 44 8,-2.7 8,-3.5 -2,-0.3 2,-0.4 -0.945 37.8-123.6-154.4 173.3 41.7 76.6 11.3 190 226 A K E -D 196 0C 121 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.997 26.8-139.7-127.8 131.7 45.4 77.1 11.8 191 227 A D > - 0 0 21 4,-2.4 3,-1.9 -2,-0.4 6,-0.0 -0.107 36.2 -83.7 -82.0-177.9 47.5 75.3 14.4 192 228 A D T 3 S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.797 129.8 48.0 -48.3 -41.2 50.3 76.4 16.8 193 229 A K T 3 S- 0 0 183 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.094 122.6-105.4 -96.2 17.7 53.0 76.0 14.1 194 230 A G < + 0 0 34 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.495 68.4 148.8 74.7 8.3 50.9 77.9 11.6 195 231 A V - 0 0 78 1,-0.1 -4,-2.4 -5,-0.0 2,-0.3 -0.567 48.7-123.0 -75.3 132.7 49.7 75.0 9.5 196 232 A D E + D 0 190C 132 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.607 40.0 176.3 -71.2 132.3 46.2 75.3 7.8 197 233 A K E - D 0 189C 52 -8,-3.5 -8,-2.7 -2,-0.3 2,-0.5 -0.928 26.8-136.7-138.1 161.4 44.0 72.4 8.9 198 234 A T E - D 0 188C 62 -2,-0.3 -81,-0.6 -10,-0.2 2,-0.3 -0.983 19.7-168.9-123.1 118.3 40.4 71.3 8.4 199 235 A A E -CD 116 187C 0 -12,-3.4 -12,-3.1 -2,-0.5 2,-0.6 -0.775 18.9-144.6 -99.2 153.6 38.4 69.9 11.3 200 236 A M E - D 0 186C 66 -85,-2.7 2,-0.5 -2,-0.3 -14,-0.2 -0.951 31.0-161.1-112.9 105.5 35.0 68.1 11.2 201 237 A V E - D 0 185C 11 -16,-2.3 -16,-2.8 -2,-0.6 2,-0.1 -0.771 20.3-119.2-104.9 125.4 33.4 69.4 14.4 202 238 A V E + D 0 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4,-1.4 0, 0.0 5,-0.2 -0.449 15.0-113.4 -90.2 161.7 15.9 66.9 -15.4 340 376 A D H > S+ 0 0 116 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.901 119.6 54.5 -58.1 -39.3 17.0 68.3 -12.1 341 377 A A H >4 S+ 0 0 85 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.920 107.9 48.7 -61.4 -42.2 14.6 71.1 -12.6 342 378 A E H 34 S+ 0 0 57 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.717 118.7 41.1 -66.0 -25.5 11.7 68.6 -13.1 343 379 A L H 3X S+ 0 0 0 -4,-1.4 4,-2.8 -3,-0.3 5,-0.2 0.443 86.2 96.0-103.9 -4.1 12.8 66.7 -10.0 344 380 A K H S+ 0 0 127 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.934 115.2 51.7 -65.8 -43.9 10.2 69.8 -5.8 346 382 A I H > S+ 0 0 4 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.920 109.6 49.0 -53.4 -49.4 10.0 66.0 -5.6 347 383 A R H X S+ 0 0 21 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.891 108.6 53.7 -64.2 -38.2 13.5 65.8 -4.1 348 384 A T H X S+ 0 0 61 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.929 109.5 48.4 -58.0 -46.4 12.6 68.6 -1.5 349 385 A H H X S+ 0 0 23 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.921 112.3 49.0 -61.1 -44.4 9.6 66.5 -0.5 350 386 A I H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.945 110.0 51.0 -60.7 -46.2 11.8 63.3 -0.2 351 387 A R H X S+ 0 0 18 -4,-2.9 4,-2.4 1,-0.2 -114,-0.3 0.931 116.6 40.5 -54.6 -50.2 14.4 65.2 1.9 352 388 A H H X S+ 0 0 24 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.892 112.9 54.4 -68.3 -40.9 11.8 66.5 4.3 353 389 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.930 115.0 39.7 -56.0 -49.3 9.8 63.2 4.4 354 390 A Q H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.870 111.4 56.1 -78.6 -35.2 12.8 61.2 5.4 355 391 A W H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.951 113.4 42.6 -54.0 -48.7 14.2 63.9 7.8 356 392 A R H X S+ 0 0 33 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.926 117.9 43.7 -67.4 -45.4 10.9 63.8 9.7 357 393 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.878 115.3 48.5 -70.5 -36.4 10.5 60.0 9.6 358 394 A D H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 3,-0.5 0.941 109.4 52.6 -70.4 -45.1 14.1 59.3 10.5 359 395 A M H < S+ 0 0 0 -4,-2.7 4,-0.5 -5,-0.3 -1,-0.2 0.870 110.0 51.5 -56.1 -32.5 14.0 61.9 13.4 360 396 A A H < S+ 0 0 2 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.842 122.3 27.9 -71.9 -34.4 10.9 60.0 14.7 361 397 A I H < S+ 0 0 17 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.613 99.6 79.6-103.4 -16.7 12.6 56.5 14.6 362 398 A A S < S+ 0 0 3 -4,-2.9 2,-0.8 -5,-0.2 -121,-0.5 0.759 84.0 69.1 -73.6 -20.8 16.3 57.2 15.1 363 399 A G S > S- 0 0 3 -4,-0.5 3,-1.3 -5,-0.2 4,-0.4 -0.872 78.2-156.2 -93.5 111.0 15.7 57.6 18.9 364 400 A H T 3 S+ 0 0 65 -2,-0.8 -1,-0.1 1,-0.3 3,-0.1 0.614 89.5 42.2 -72.9 -14.1 14.9 54.0 19.8 365 401 A G T >> S+ 0 0 18 1,-0.1 4,-3.1 2,-0.1 3,-1.9 0.430 85.0 97.1-102.7 -1.7 13.0 55.0 23.0 366 402 A S H <> S+ 0 0 0 -3,-1.3 4,-2.7 1,-0.3 8,-0.3 0.815 70.9 68.3 -57.8 -32.4 11.2 57.9 21.5 367 403 A F H 34 S+ 0 0 35 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.787 117.4 27.4 -57.1 -25.8 8.0 55.8 20.8 368 404 A F H <4 S+ 0 0 63 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.790 120.7 52.3 -97.5 -48.3 7.8 55.8 24.7 369 405 A H H < S+ 0 0 40 -4,-3.1 -116,-0.4 1,-0.3 -117,-0.4 0.833 135.2 4.9 -61.5 -36.2 9.5 59.0 25.6 370 406 A A S X S+ 0 0 2 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.3 -0.459 74.7 165.5-148.0 66.4 7.4 61.2 23.3 371 407 A P H > S+ 0 0 22 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.900 75.6 48.7 -57.8 -44.4 4.7 58.9 21.7 372 408 A E H > S+ 0 0 162 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.871 112.4 47.1 -71.3 -36.5 2.5 61.6 20.3 373 409 A E H > S+ 0 0 38 2,-0.2 4,-3.0 -3,-0.2 -1,-0.2 0.914 110.7 54.0 -66.6 -41.1 5.3 63.6 18.7 374 410 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 -8,-0.3 5,-0.2 0.943 111.6 44.5 -57.0 -49.0 6.7 60.3 17.1 375 411 A L H X S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.912 113.8 49.6 -62.4 -43.2 3.3 59.5 15.6 376 412 A R H X S+ 0 0 102 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.921 112.0 49.0 -63.6 -40.3 2.8 63.1 14.3 377 413 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.888 111.2 48.6 -66.5 -42.4 6.3 63.1 12.8 378 414 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.869 113.3 48.3 -63.9 -38.2 5.7 59.8 11.0 379 415 A A H X S+ 0 0 53 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.917 113.0 47.4 -63.0 -43.9 2.4 61.0 9.7 380 416 A S H X S+ 0 0 25 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.912 113.2 48.4 -67.0 -43.2 4.0 64.3 8.5 381 417 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.920 110.4 51.0 -63.6 -44.8 6.9 62.4 6.9 382 418 A N H X S+ 0 0 32 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.932 107.6 53.4 -58.3 -45.1 4.6 60.0 5.2 383 419 A E H X S+ 0 0 104 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.916 109.2 48.6 -56.5 -45.1 2.5 63.0 3.8 384 420 A E H X S+ 0 0 25 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.908 111.4 50.2 -60.8 -41.4 5.7 64.5 2.3 385 421 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.912 111.4 48.4 -64.0 -40.0 6.6 61.2 0.8 386 422 A Q H X S+ 0 0 58 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.878 107.1 55.3 -73.6 -32.6 3.1 60.8 -0.8 387 423 A K H X S+ 0 0 83 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.924 110.3 47.6 -60.5 -43.8 3.2 64.4 -2.1 388 424 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.926 110.9 50.9 -59.4 -42.1 6.5 63.4 -3.9 389 425 A R H X S+ 0 0 53 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.880 107.2 52.0 -70.2 -36.1 4.9 60.2 -5.2 390 426 A I H X S+ 0 0 104 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.928 113.2 45.4 -63.0 -45.3 1.9 62.0 -6.6 391 427 A K H X S+ 0 0 69 -4,-1.9 4,-1.7 1,-0.2 3,-0.2 0.863 108.9 57.9 -64.8 -36.2 4.2 64.4 -8.5 392 428 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.845 95.3 62.1 -64.1 -34.9 6.4 61.5 -9.6 393 429 A V H X S+ 0 0 69 -4,-1.7 4,-2.6 -3,-0.2 -1,-0.2 0.926 106.6 47.1 -56.5 -40.6 3.5 59.7 -11.3 394 430 A K H X S+ 0 0 132 -4,-1.0 4,-2.1 -3,-0.2 -1,-0.2 0.879 112.1 48.1 -72.8 -36.5 3.2 62.8 -13.6 395 431 A V H X S+ 0 0 19 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.953 112.6 48.9 -64.4 -48.0 7.0 62.8 -14.3 396 432 A L H <>S+ 0 0 7 -4,-3.3 5,-2.8 1,-0.2 3,-0.4 0.935 111.4 50.8 -55.9 -44.2 7.0 59.1 -15.0 397 433 A A H ><5S+ 0 0 41 -4,-2.6 3,-1.9 4,-0.3 5,-0.2 0.888 103.9 57.7 -60.3 -42.1 4.0 59.6 -17.4 398 434 A K H 3<5S+ 0 0 130 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.889 110.8 43.6 -54.6 -40.7 5.8 62.4 -19.2 399 435 A Y T 3<5S- 0 0 62 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.180 124.2-101.7 -94.9 14.0 8.6 59.9 -20.0 400 436 A G T < 5S+ 0 0 72 -3,-1.9 -3,-0.2 -5,-0.1 3,-0.2 0.634 95.0 104.6 85.4 17.9 6.3 57.1 -20.9 401 437 A A > < + 0 0 15 -5,-2.8 3,-1.9 -6,-0.2 -4,-0.3 -0.126 24.8 134.0-125.1 39.6 6.5 55.1 -17.7 402 438 A I T 3 S+ 0 0 96 -6,-0.3 -5,-0.2 1,-0.3 -1,-0.1 0.810 75.8 52.7 -62.2 -28.9 3.2 55.7 -15.9 403 439 A D T 3 S+ 0 0 145 -3,-0.2 -1,-0.3 -7,-0.1 -2,-0.1 0.331 78.6 135.6 -90.6 6.3 2.8 52.0 -15.2 404 440 A Y < - 0 0 63 -3,-1.9 2,-0.5 -11,-0.1 -8,-0.0 -0.265 41.8-155.0 -53.2 137.2 6.2 51.6 -13.6 405 441 A V - 0 0 118 3,-0.0 3,-0.1 -76,-0.0 -1,-0.1 -0.975 18.9-125.5-119.8 114.1 6.2 49.6 -10.3 406 442 A A - 0 0 7 -2,-0.5 -81,-0.1 1,-0.1 -80,-0.1 -0.314 38.4 -99.5 -58.1 141.4 9.1 50.4 -8.0 407 443 A P - 0 0 51 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.203 38.5-102.6 -65.0 158.8 11.0 47.2 -7.1 408 444 A D - 0 0 123 -3,-0.1 3,-0.1 1,-0.1 -3,-0.0 -0.452 28.8-176.5 -78.7 152.3 10.4 45.4 -3.8 409 445 A F + 0 0 13 -2,-0.2 -360,-0.2 1,-0.1 -361,-0.1 -0.221 34.4 134.0-141.8 46.0 12.8 45.7 -0.9 410 446 A E + 0 0 106 -365,-0.1 2,-0.3 -364,-0.1 -364,-0.1 0.493 65.6 50.6 -86.9 -6.6 11.3 43.4 1.6 411 447 A T S > S- 0 0 47 -366,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.940 83.1-122.7-124.5 154.6 14.6 41.7 2.5 412 448 A K H > S+ 0 0 12 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.891 113.7 53.8 -55.9 -43.9 18.0 43.2 3.5 413 449 A E H > S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 111.0 43.9 -60.4 -46.3 19.6 41.3 0.6 414 450 A K H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 114.9 49.5 -67.9 -39.5 17.2 42.7 -2.0 415 451 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.907 109.3 51.3 -66.2 -43.4 17.4 46.2 -0.6 416 452 A Q H <>S+ 0 0 11 -4,-2.9 5,-2.9 2,-0.2 4,-0.3 0.844 106.6 54.8 -67.4 -28.2 21.2 46.1 -0.5 417 453 A K H ><5S+ 0 0 172 -4,-1.7 3,-1.1 3,-0.2 -1,-0.2 0.935 109.3 47.3 -66.9 -43.1 21.3 45.0 -4.2 418 454 A L H 3<5S+ 0 0 47 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.867 113.8 47.8 -62.9 -36.4 19.1 48.1 -5.0 419 455 A A T 3<5S- 0 0 13 -4,-2.1 -366,-0.4 -5,-0.1 -1,-0.3 0.459 112.0-124.7 -82.8 -2.7 21.4 50.3 -3.0 420 456 A K T < 5 + 0 0 184 -3,-1.1 2,-0.7 -4,-0.3 -3,-0.2 0.901 53.2 158.2 57.7 45.3 24.5 48.7 -4.7 421 457 A V < - 0 0 20 -5,-2.9 2,-1.5 -364,-0.1 -1,-0.2 -0.894 32.5-157.1-101.4 110.8 26.1 47.6 -1.4 422 458 A D > + 0 0 94 -2,-0.7 4,-1.9 1,-0.2 3,-0.3 -0.656 17.4 175.6 -87.5 86.2 28.6 44.8 -1.8 423 459 A M H > S+ 0 0 28 -2,-1.5 4,-3.2 1,-0.2 5,-0.3 0.881 72.7 59.4 -56.7 -47.7 28.5 43.5 1.8 424 460 A E H > S+ 0 0 161 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 108.3 46.4 -48.7 -48.0 30.7 40.5 1.2 425 461 A A H > S+ 0 0 48 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.923 113.1 47.5 -62.8 -49.0 33.5 42.9 0.1 426 462 A F H X S+ 0 0 64 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.896 113.6 48.1 -62.8 -43.3 33.1 45.3 2.9 427 463 A I H X S+ 0 0 39 -4,-3.2 4,-2.8 2,-0.2 -1,-0.2 0.917 110.7 50.3 -61.7 -43.8 33.0 42.5 5.5 428 464 A A H X S+ 0 0 42 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.949 113.5 46.1 -62.3 -43.8 36.1 40.8 4.1 429 465 A E H X S+ 0 0 102 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.869 112.4 52.1 -62.2 -41.6 38.0 44.1 4.2 430 466 A K H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.924 106.8 51.8 -63.5 -47.6 36.7 44.7 7.7 431 467 A L H X S+ 0 0 52 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.885 108.0 51.8 -57.4 -38.7 37.9 41.3 9.0 432 468 A K H X S+ 0 0 100 -4,-1.7 4,-1.3 1,-0.2 5,-0.2 0.907 110.4 49.0 -68.6 -41.0 41.4 41.9 7.6 433 469 A F H <>S+ 0 0 6 -4,-2.0 5,-2.6 1,-0.2 6,-0.4 0.930 112.2 48.2 -58.0 -46.8 41.4 45.3 9.4 434 470 A K H <>S+ 0 0 12 -4,-2.7 5,-0.5 1,-0.2 -2,-0.2 0.850 112.1 50.0 -62.1 -33.9 40.3 43.7 12.7 435 471 A Q H <5S+ 0 0 119 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.712 127.8 16.9 -79.1 -23.2 42.9 40.9 12.3 436 472 A T T X5S+ 0 0 83 -4,-1.3 4,-1.8 -3,-0.3 3,-0.4 0.665 129.7 25.0-113.8 -89.4 45.7 43.4 11.7 437 473 A L H >5S+ 0 0 30 1,-0.2 4,-2.5 -5,-0.2 -3,-0.2 0.811 119.7 54.4 -56.7 -40.9 45.5 47.1 12.6 438 474 A E H >S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.2 6,-1.3 0.879 112.6 46.0 -63.8 -40.9 47.3 50.7 24.1 446 482 A I H ><5S+ 0 0 64 -4,-2.4 3,-1.0 4,-0.2 -2,-0.2 0.950 112.4 51.2 -66.2 -47.2 48.0 47.9 26.6 447 483 A A H 3<5S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.890 112.3 46.6 -54.5 -43.2 51.7 48.4 26.3 448 484 A K H 3<5S- 0 0 98 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.572 115.2-114.8 -79.0 -12.6 51.4 52.1 26.9 449 485 A G T <<5S+ 0 0 43 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.713 86.5 114.0 84.2 21.0 49.1 51.6 29.9 450 486 A R S - 0 0 60 -2,-0.4 3,-2.1 1,-0.1 4,-0.3 -0.877 16.4-141.8 -99.9 122.3 43.4 47.3 30.7 453 489 A P G > S+ 0 0 72 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.741 97.2 73.4 -59.9 -21.3 42.8 43.9 29.1 454 490 A E G > S+ 0 0 82 1,-0.3 3,-1.3 2,-0.2 -3,-0.0 0.831 89.1 60.8 -57.8 -31.5 40.2 43.2 31.8 455 491 A S G < S+ 0 0 32 -3,-2.1 -1,-0.3 1,-0.3 -326,-0.1 0.630 96.2 61.6 -72.5 -12.5 37.9 45.7 29.9 456 492 A L G X + 0 0 46 -3,-1.6 3,-2.2 -4,-0.3 4,-0.5 0.481 69.0 132.2 -93.7 -3.0 38.0 43.5 26.8 457 493 A K T < S- 0 0 105 -3,-1.3 -3,-0.0 1,-0.3 14,-0.0 -0.332 91.6 -19.0 -60.6 121.8 36.4 40.4 28.3 458 494 A G T > S+ 0 0 17 -2,-0.1 3,-0.7 1,-0.1 -1,-0.3 0.549 102.2 124.1 60.4 15.4 33.7 39.2 26.0 459 495 A V T < S+ 0 0 8 -3,-2.2 3,-0.2 1,-0.2 -2,-0.1 0.763 72.2 41.4 -79.0 -22.0 33.6 42.6 24.3 460 496 A D T 3 S+ 0 0 25 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.1 -0.201 76.9 106.7-122.7 43.8 34.2 41.4 20.8 461 497 A E S < S+ 0 0 60 -3,-0.7 7,-3.4 1,-0.1 8,-0.5 0.684 81.0 32.0 -89.0 -23.9 32.1 38.2 20.5 462 498 A K B +H 467 0G 13 5,-0.2 2,-0.3 -3,-0.2 5,-0.2 -0.978 48.7 152.8-141.3 149.5 29.4 39.7 18.2 463 499 A S - 0 0 9 3,-2.5 3,-0.2 -2,-0.3 -426,-0.1 -0.802 64.3 -85.6-148.6-173.0 28.7 42.2 15.4 464 500 A S S S+ 0 0 24 -2,-0.3 3,-0.1 1,-0.2 -425,-0.1 0.620 129.6 43.2 -73.1 -9.0 26.0 42.2 12.7 465 501 A Y S S+ 0 0 38 1,-0.2 2,-0.3 -38,-0.0 -1,-0.2 0.435 119.9 27.0-123.0 -0.2 28.4 40.0 10.6 466 502 A Y - 0 0 40 -3,-0.2 -3,-2.5 3,-0.0 2,-0.3 -0.987 49.7-171.6-150.4 161.0 29.8 37.5 13.1 467 503 A D B -H 462 0G 89 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.797 9.3-172.4-152.1 103.4 28.7 35.8 16.3 468 504 A K - 0 0 130 -7,-3.4 -6,-0.1 -2,-0.3 -1,-0.1 0.638 65.9 -99.3 -69.7 -18.3 31.3 33.7 18.2 469 505 A T S S+ 0 0 107 -8,-0.5 2,-0.3 -3,-0.1 -7,-0.1 -0.150 88.8 28.1 133.7 -22.4 28.1 33.0 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