==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 11-SEP-00 1FT6 . COMPND 2 MOLECULE: CYTOCHROME C554; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; . AUTHOR T.M.IVERSON,D.M.ARCIERO,A.B.HOOPER,D.C.REES . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12688.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 10 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 1 4 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A A 0 0 154 0, 0.0 2,-0.2 0, 0.0 123,-0.0 0.000 360.0 360.0 360.0 162.1 92.6 51.5 16.2 2 2 A D - 0 0 82 122,-0.0 123,-0.1 2,-0.0 122,-0.0 -0.762 360.0-117.3 167.5 150.5 95.7 52.6 14.3 3 3 A A - 0 0 2 -2,-0.2 2,-0.2 91,-0.2 68,-0.1 -0.711 27.9-117.7-103.5 149.8 99.5 52.0 14.2 4 4 A P - 0 0 40 0, 0.0 92,-1.6 0, 0.0 68,-0.3 -0.520 29.3-109.5 -84.6 157.9 102.2 54.5 14.9 5 5 A F + 0 0 8 66,-2.3 78,-0.1 89,-0.2 61,-0.0 -0.454 32.2 174.7 -76.4 154.3 104.8 55.6 12.3 6 6 A E - 0 0 46 1,-0.2 3,-0.2 -2,-0.1 2,-0.2 0.474 42.3-109.5-133.6 -22.0 108.4 54.4 12.7 7 7 A G - 0 0 5 1,-0.1 4,-0.4 76,-0.1 3,-0.2 -0.576 39.6 -63.7 114.6 175.5 110.2 55.6 9.6 8 8 A R S > S+ 0 0 18 74,-1.9 4,-2.9 -2,-0.2 5,-0.2 0.627 99.1 93.1 -79.9 -16.5 111.8 54.0 6.5 9 9 A K H > S+ 0 0 135 1,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.875 88.3 39.1 -50.2 -58.3 114.5 51.9 8.1 10 10 A K H > S+ 0 0 99 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.895 117.7 49.2 -63.0 -42.3 112.9 48.6 8.6 11 11 A C H > S+ 0 0 28 -4,-0.4 4,-2.2 1,-0.2 3,-0.3 0.932 112.2 49.5 -61.2 -44.8 111.0 48.6 5.3 12 12 A S H < S+ 0 0 27 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.812 104.4 58.3 -65.5 -30.6 114.1 49.6 3.5 13 13 A S H < S+ 0 0 65 -4,-1.8 3,-0.3 -5,-0.2 -1,-0.2 0.839 116.6 32.7 -69.0 -36.0 116.2 46.8 5.0 14 14 A C H < S+ 0 0 102 -4,-1.3 2,-0.3 -3,-0.3 -2,-0.2 0.709 124.5 44.9 -90.9 -25.8 113.9 44.0 3.8 15 15 A H X + 0 0 79 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 -0.507 65.0 155.0-119.0 64.4 112.9 45.7 0.5 16 16 A K H > + 0 0 156 -3,-0.3 4,-2.7 -2,-0.3 5,-0.2 0.792 69.0 56.9 -60.2 -35.7 116.2 47.1 -0.8 17 17 A A H > S+ 0 0 14 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.944 111.8 41.6 -64.3 -48.4 115.1 47.2 -4.5 18 18 A Q H > S+ 0 0 41 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.920 115.7 51.8 -65.0 -41.5 112.1 49.4 -3.9 19 19 A A H X S+ 0 0 18 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.899 109.0 48.4 -63.0 -43.1 114.2 51.5 -1.4 20 20 A Q H < S+ 0 0 143 -4,-2.7 4,-0.4 2,-0.2 -1,-0.2 0.864 116.1 44.8 -67.0 -31.7 117.0 52.1 -3.9 21 21 A S H >< S+ 0 0 26 -4,-1.7 3,-1.4 -5,-0.2 -2,-0.2 0.918 111.8 51.9 -75.9 -42.8 114.5 53.1 -6.6 22 22 A W H >< S+ 0 0 21 -4,-3.3 3,-2.6 1,-0.3 6,-0.6 0.877 96.3 70.7 -58.2 -39.0 112.5 55.3 -4.2 23 23 A K T 3< S+ 0 0 108 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.746 98.4 49.1 -51.3 -29.0 115.7 57.1 -3.2 24 24 A D T < S+ 0 0 114 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.403 91.3 100.3 -96.8 5.6 115.8 58.7 -6.6 25 25 A T S X> S- 0 0 9 -3,-2.6 4,-1.0 -4,-0.2 3,-0.6 -0.459 84.2-113.2 -89.3 162.9 112.2 60.0 -6.8 26 26 A A G >4 S+ 0 0 65 1,-0.2 3,-0.5 2,-0.2 4,-0.2 0.862 116.2 63.8 -60.8 -33.5 111.0 63.5 -6.1 27 27 A H G >4 S+ 0 0 49 150,-0.4 59,-2.6 1,-0.2 3,-1.5 0.903 98.3 53.3 -55.6 -45.0 109.2 62.1 -3.0 28 28 A A G <4 S+ 0 0 19 -3,-0.6 3,-0.3 -6,-0.6 -1,-0.2 0.794 114.4 42.1 -61.4 -31.1 112.6 61.1 -1.4 29 29 A K G XX S+ 0 0 104 -4,-1.0 3,-1.3 -3,-0.5 4,-0.9 0.193 77.7 119.0-102.3 16.5 113.9 64.7 -1.9 30 30 A A T <4 S+ 0 0 9 -3,-1.5 4,-0.4 1,-0.3 3,-0.4 0.799 73.1 54.4 -52.5 -37.3 110.7 66.5 -0.8 31 31 A M T >4 S+ 0 0 14 -3,-0.3 3,-1.4 -4,-0.2 4,-0.4 0.831 96.6 65.0 -71.6 -25.7 112.4 68.2 2.1 32 32 A E G X4 S+ 0 0 88 -3,-1.3 3,-1.4 1,-0.3 -1,-0.2 0.851 93.7 63.2 -63.2 -30.4 115.1 69.7 -0.2 33 33 A S G 3< S+ 0 0 24 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.744 97.8 56.1 -63.3 -23.1 112.3 71.7 -1.9 34 34 A L G < S+ 0 0 13 -3,-1.4 20,-2.7 -4,-0.4 21,-0.6 0.517 87.7 102.3 -89.4 -4.8 111.7 73.5 1.4 35 35 A K S X S- 0 0 81 -3,-1.4 3,-1.4 -4,-0.4 17,-0.1 -0.435 86.8 -85.8 -78.4 153.7 115.3 74.7 1.7 36 36 A P T 3 S+ 0 0 47 0, 0.0 15,-0.2 0, 0.0 -1,-0.1 -0.252 107.7 7.0 -58.1 142.1 116.3 78.3 0.8 37 37 A N T 3 S+ 0 0 102 13,-2.3 2,-0.4 1,-0.2 3,-0.4 0.563 94.5 122.9 62.1 15.5 117.0 79.0 -2.9 38 38 A V S < S+ 0 0 49 -3,-1.4 -1,-0.2 1,-0.2 5,-0.1 -0.903 81.4 4.2-105.2 136.2 115.9 75.6 -4.2 39 39 A K S > S+ 0 0 129 -2,-0.4 4,-2.4 -3,-0.1 -1,-0.2 0.891 78.7 166.9 57.8 44.5 113.2 75.6 -6.8 40 40 A K H > + 0 0 88 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.886 68.5 50.1 -54.4 -48.5 113.2 79.4 -7.0 41 41 A E H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 112.3 45.4 -61.9 -47.6 111.1 79.7 -10.2 42 42 A A H > S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.899 112.7 52.7 -61.6 -43.5 108.3 77.4 -9.1 43 43 A K H <>S+ 0 0 9 -4,-2.4 5,-3.0 1,-0.2 -1,-0.2 0.918 108.9 49.2 -60.4 -43.2 108.2 79.1 -5.7 44 44 A Q H ><5S+ 0 0 102 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.910 106.3 55.6 -64.9 -38.5 107.9 82.6 -7.3 45 45 A K H 3<5S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.870 110.7 45.8 -61.3 -34.2 105.1 81.4 -9.6 46 46 A A T 3<5S- 0 0 16 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.267 119.5-113.7 -91.9 12.5 103.2 80.3 -6.4 47 47 A K T < 5S+ 0 0 178 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.803 71.0 137.6 58.6 35.2 104.1 83.6 -4.7 48 48 A L < - 0 0 49 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.0 -0.570 64.1 -95.6-102.0 168.6 106.3 82.0 -2.1 49 49 A D > - 0 0 76 -2,-0.2 3,-1.1 1,-0.1 -12,-0.1 -0.799 25.7-155.4 -92.7 115.2 109.7 83.5 -1.1 50 50 A P T 3 S+ 0 0 22 0, 0.0 -13,-2.3 0, 0.0 -12,-0.2 0.622 93.0 45.0 -63.4 -17.2 112.6 81.8 -3.0 51 51 A A T 3 S+ 0 0 56 -15,-0.2 2,-0.1 -14,-0.1 -2,-0.0 0.455 87.7 110.8-106.4 -3.2 115.1 82.6 -0.3 52 52 A K < - 0 0 86 -3,-1.1 2,-1.0 -17,-0.1 -15,-0.1 -0.430 68.6-128.5 -76.0 143.9 113.1 81.6 2.8 53 53 A D + 0 0 85 1,-0.1 3,-0.4 -2,-0.1 -18,-0.2 -0.816 33.1 171.0 -88.7 105.7 114.0 78.5 4.8 54 54 A Y > + 0 0 23 -20,-2.7 3,-1.7 -2,-1.0 7,-0.3 0.374 45.8 104.8 -97.3 4.3 110.7 76.6 4.9 55 55 A T T 3 S+ 0 0 29 -21,-0.6 -1,-0.2 1,-0.3 -20,-0.1 0.613 89.2 35.2 -62.5 -12.0 112.1 73.4 6.5 56 56 A Q T 3 S+ 0 0 132 -3,-0.4 2,-0.6 -22,-0.2 -1,-0.3 0.139 88.1 118.0-126.5 24.2 110.7 74.2 9.9 57 57 A D X> - 0 0 31 -3,-1.7 4,-2.3 1,-0.1 3,-2.3 -0.804 54.3-152.4 -94.4 117.2 107.4 75.9 8.8 58 58 A K T 34 S+ 0 0 146 -2,-0.6 4,-0.3 1,-0.3 -1,-0.1 0.579 94.7 66.2 -64.1 -9.1 104.4 74.0 10.0 59 59 A D T 34 S+ 0 0 103 2,-0.1 -1,-0.3 -5,-0.1 -5,-0.0 0.449 118.3 22.3 -87.1 1.5 102.4 75.4 7.0 60 60 A C T X4 S+ 0 0 27 -3,-2.3 3,-1.7 -6,-0.2 4,-0.2 0.687 104.2 69.1-131.6 -46.1 104.7 73.3 4.8 61 61 A V G >< S+ 0 0 0 -4,-2.3 3,-2.2 -7,-0.3 4,-0.3 0.729 81.9 79.4 -55.5 -27.3 106.5 70.3 6.3 62 62 A G G 3 S+ 0 0 26 1,-0.3 6,-0.4 -4,-0.3 -1,-0.3 0.618 99.5 38.6 -58.9 -21.0 103.4 68.2 6.7 63 63 A C G < S+ 0 0 43 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.269 112.5 57.7-111.6 10.8 103.3 67.2 3.1 64 64 A H S < S+ 0 0 46 -3,-2.2 21,-1.3 -4,-0.2 2,-0.3 0.198 107.0 42.5-123.7 15.1 107.0 66.7 2.7 65 65 A V B S-A 84 0A 4 -4,-0.3 2,-0.4 19,-0.2 3,-0.4 -0.896 91.8 -82.0-148.3 172.7 107.6 64.2 5.5 66 66 A D S S- 0 0 0 17,-2.8 8,-2.4 19,-0.3 4,-0.1 -0.719 95.7 -12.7 -87.8 128.5 106.0 61.0 6.9 67 67 A G > - 0 0 4 -2,-0.4 3,-2.2 6,-0.2 6,-0.3 0.739 69.3-175.3 60.0 35.6 103.1 61.2 9.4 68 68 A F T 3 S+ 0 0 65 -6,-0.4 -1,-0.2 -3,-0.4 7,-0.1 -0.381 76.6 13.2 -60.1 131.6 103.1 64.8 10.4 69 69 A G T 3 S+ 0 0 79 5,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.591 110.9 103.4 79.5 8.1 100.4 65.2 13.1 70 70 A Q S X S- 0 0 88 -3,-2.2 3,-2.3 4,-0.2 -1,-0.3 -0.863 85.1 -79.2-124.4 156.2 100.1 61.5 13.6 71 71 A K T 3 S+ 0 0 108 -2,-0.3 -66,-2.3 1,-0.3 3,-0.1 -0.308 117.3 6.9 -58.3 130.4 101.4 59.2 16.3 72 72 A G T 3 S+ 0 0 45 -68,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.274 105.1 134.5 81.7 -8.9 105.1 58.4 15.8 73 73 A G < - 0 0 11 -3,-2.3 -1,-0.2 -6,-0.3 -6,-0.2 -0.057 65.3 -72.9 -73.6 169.9 105.3 60.9 13.0 74 74 A Y - 0 0 11 -8,-2.4 -5,-0.7 9,-0.2 2,-0.3 -0.302 49.6-173.6 -57.4 140.9 107.7 63.5 12.0 75 75 A T - 0 0 63 3,-1.0 5,-0.1 -7,-0.1 3,-0.1 -0.971 34.5-124.9-135.7 151.7 107.7 66.6 14.3 76 76 A I S S+ 0 0 45 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.843 115.4 52.9 -66.7 -28.9 109.5 69.9 13.9 77 77 A E S S+ 0 0 182 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.845 125.6 22.9 -73.2 -34.2 110.9 69.4 17.4 78 78 A S S S- 0 0 79 -3,-0.1 2,-1.7 2,-0.1 -3,-1.0 -0.683 75.5-179.3-133.1 76.9 112.2 65.9 16.5 79 79 A P - 0 0 59 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.586 17.5-154.5 -80.4 81.2 112.6 65.7 12.7 80 80 A K > - 0 0 106 -2,-1.7 3,-2.3 1,-0.2 4,-0.3 -0.319 14.0-139.3 -58.7 126.6 113.8 62.2 12.3 81 81 A P G > S+ 0 0 104 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.869 104.2 60.3 -56.4 -31.8 115.9 61.7 9.1 82 82 A M G 3 S+ 0 0 62 1,-0.3 -74,-1.9 -76,-0.1 -76,-0.1 0.456 108.3 43.5 -75.7 0.8 114.1 58.4 8.6 83 83 A L G < S+ 0 0 0 -3,-2.3 -17,-2.8 -76,-0.2 2,-0.5 0.246 91.1 109.6-121.4 9.4 110.7 60.3 8.4 84 84 A T B < S+A 65 0A 37 -3,-1.4 -19,-0.2 -4,-0.3 2,-0.1 -0.739 71.8 20.4 -89.6 129.6 112.1 63.1 6.2 85 85 A G S S- 0 0 0 -21,-1.3 2,-1.1 -2,-0.5 -19,-0.3 -0.222 112.0 -62.2 94.7 160.0 110.9 63.1 2.6 86 86 A V S S+ 0 0 17 -59,-2.6 -2,-0.1 -60,-0.2 -57,-0.1 -0.759 78.7 172.6 -86.4 106.1 107.7 61.3 1.6 87 87 A G >> - 0 0 3 -2,-1.1 3,-1.1 -4,-0.2 4,-0.7 -0.141 42.8 -62.4-107.3-162.2 108.6 57.8 2.4 88 88 A C H >> S+ 0 0 24 1,-0.3 4,-2.6 2,-0.2 3,-1.1 0.847 125.2 46.2 -53.0 -48.3 107.3 54.2 2.6 89 89 A E H 3> S+ 0 0 3 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.697 96.9 73.3 -71.8 -20.4 104.6 54.7 5.3 90 90 A S H <4 S+ 0 0 24 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.798 118.1 18.5 -62.8 -26.5 103.2 57.9 3.7 91 91 A C H << S+ 0 0 35 -3,-1.1 -2,-0.2 -4,-0.7 39,-0.2 0.781 132.1 41.4-108.8 -44.1 101.7 55.5 1.1 92 92 A H H < S- 0 0 64 -4,-2.6 35,-2.9 -5,-0.2 -3,-0.2 0.617 113.0-113.4 -81.1 -11.7 101.6 52.0 2.5 93 93 A G < - 0 0 0 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 -0.107 51.3 -39.6 97.3 159.1 100.5 53.3 6.0 94 94 A P - 0 0 2 0, 0.0 4,-0.3 0, 0.0 3,-0.3 -0.421 56.2-156.1 -57.6 133.9 102.3 53.4 9.4 95 95 A G > + 0 0 2 1,-0.2 4,-2.6 -88,-0.1 5,-0.3 0.418 57.5 109.0 -97.9 -2.7 104.1 50.2 9.7 96 96 A R T 4 S+ 0 0 131 -92,-1.6 4,-0.2 1,-0.2 -1,-0.2 0.805 94.4 27.3 -42.6 -48.2 104.6 49.5 13.4 97 97 A N T > S+ 0 0 72 27,-0.4 4,-0.6 -3,-0.3 3,-0.4 0.821 122.5 46.7 -88.9 -37.2 102.1 46.6 13.5 98 98 A F H >> S+ 0 0 10 26,-0.5 4,-1.7 -4,-0.3 3,-0.6 0.816 96.9 69.3 -81.0 -22.2 102.1 45.2 10.0 99 99 A R H 3X S+ 0 0 81 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.821 96.2 57.3 -65.3 -21.5 105.8 45.0 9.5 100 100 A G H 3> S+ 0 0 38 -3,-0.4 4,-2.5 -5,-0.3 -1,-0.3 0.848 104.4 50.7 -71.8 -35.7 105.9 42.2 12.1 101 101 A D H > -b 189 0B 41 0, 0.0 3,-1.3 0, 0.0 4,-0.7 -0.409 14.3-132.8 -68.8 141.2 95.8 36.8 3.6 118 118 A R H >> S+ 0 0 22 71,-2.9 4,-2.3 1,-0.3 3,-0.9 0.826 103.4 75.9 -59.9 -27.3 96.1 40.5 2.9 119 119 A K H 3> S+ 0 0 101 72,-0.6 4,-1.8 70,-0.4 -1,-0.3 0.845 90.1 54.1 -51.5 -37.8 93.1 40.8 5.2 120 120 A D H <> S+ 0 0 54 -3,-1.3 4,-0.7 1,-0.2 -1,-0.3 0.851 109.3 47.3 -67.8 -34.2 95.4 40.3 8.2 121 121 A L H <<>S+ 0 0 2 -3,-0.9 5,-2.4 -4,-0.7 3,-0.5 0.877 108.7 53.0 -75.7 -36.9 97.7 43.1 7.1 122 122 A A H ><5S+ 0 0 37 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.898 104.4 57.2 -64.4 -37.2 94.8 45.6 6.5 123 123 A K H 3<5S+ 0 0 150 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.811 105.2 52.4 -61.6 -30.0 93.7 44.8 10.0 124 124 A K T 3<5S- 0 0 76 -4,-0.7 -26,-0.5 -3,-0.5 -27,-0.4 0.208 132.1 -91.9 -92.0 14.2 97.1 45.9 11.1 125 125 A G T < 5S+ 0 0 27 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.420 72.1 151.0 95.7 1.0 96.8 49.2 9.2 126 126 A Q < - 0 0 28 -5,-2.4 2,-0.6 -8,-0.1 -1,-0.3 -0.392 39.5-135.0 -72.0 140.8 98.4 48.4 5.8 127 127 A D + 0 0 27 -35,-2.9 67,-0.1 1,-0.1 -1,-0.1 -0.837 33.0 164.3 -97.2 123.9 97.0 50.4 3.0 128 128 A F S S+ 0 0 27 -2,-0.6 67,-0.2 65,-0.1 -1,-0.1 0.207 77.9 50.6-116.0 11.6 96.2 48.6 -0.3 129 129 A H + 0 0 111 65,-0.1 2,-1.6 66,-0.1 66,-0.1 0.712 69.4 179.2-114.3 -44.7 94.0 51.4 -1.8 130 130 A F >> + 0 0 30 -39,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.054 46.7 105.7 72.3 -37.3 96.3 54.5 -1.5 131 131 A E H 3> S+ 0 0 64 -2,-1.6 4,-2.7 1,-0.3 5,-0.2 0.876 79.9 49.6 -44.5 -53.2 94.0 57.1 -3.1 132 132 A E H 3> S+ 0 0 108 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.880 111.6 48.8 -56.2 -44.7 93.0 58.9 0.1 133 133 A R H <> S+ 0 0 66 -3,-0.5 4,-0.6 2,-0.2 -1,-0.2 0.916 112.6 46.2 -63.1 -43.9 96.6 59.2 1.3 134 134 A C H >X S+ 0 0 27 -4,-2.4 4,-2.7 1,-0.2 3,-1.2 0.923 112.9 53.6 -63.9 -37.8 97.9 60.6 -2.0 135 135 A S H 3X S+ 0 0 1 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.804 94.1 66.8 -66.1 -32.2 94.9 63.0 -1.9 136 136 A A H 3< S+ 0 0 43 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.711 118.0 26.1 -63.0 -19.8 95.6 64.3 1.5 137 137 A C H X< S+ 0 0 42 -3,-1.2 3,-0.8 -4,-0.6 -2,-0.2 0.795 129.2 37.2-103.6 -55.4 98.7 65.9 0.1 138 138 A H H 3< S+ 0 0 78 -4,-2.7 -3,-0.2 1,-0.2 28,-0.2 0.793 125.5 34.7 -72.4 -32.9 98.1 66.4 -3.6 139 139 A L T 3< S+ 0 0 17 -4,-1.6 2,-1.5 -5,-0.3 7,-0.4 0.069 83.0 117.6-108.9 21.3 94.4 67.4 -3.6 140 140 A N < + 0 0 6 -3,-0.8 14,-2.1 9,-0.1 2,-0.3 -0.586 45.8 107.4 -91.1 74.8 94.5 69.3 -0.3 141 141 A Y S > S- 0 0 36 -2,-1.5 3,-1.9 12,-0.2 8,-0.1 -0.961 79.2 -72.5-143.0 162.6 93.6 72.8 -1.5 142 142 A E T 3 S+ 0 0 153 -2,-0.3 8,-0.0 1,-0.3 -2,-0.0 -0.328 115.4 3.9 -62.4 134.6 90.5 75.0 -1.1 143 143 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 6,-0.1 4,-0.1 0.642 91.9 158.5 68.4 17.9 87.6 73.9 -3.2 144 144 A S < - 0 0 17 -3,-1.9 -1,-0.2 2,-0.2 5,-0.1 -0.216 57.4-111.0 -71.2 161.9 89.4 70.8 -4.5 145 145 A P S S+ 0 0 112 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.746 98.4 89.1 -62.5 -21.6 87.5 67.8 -5.8 146 146 A W S > S- 0 0 46 -7,-0.4 3,-1.2 1,-0.1 -2,-0.2 -0.677 72.8-147.1 -84.0 124.1 88.6 65.9 -2.7 147 147 A K T 3 S+ 0 0 109 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.664 86.9 66.3 -65.0 -20.8 86.2 66.2 0.2 148 148 A G T 3 + 0 0 38 -16,-0.0 -1,-0.2 2,-0.0 -8,-0.1 0.461 66.8 139.2 -85.3 5.7 88.8 66.1 3.0 149 149 A A < + 0 0 31 -3,-1.2 2,-0.3 -10,-0.2 -6,-0.1 -0.152 17.2 153.1 -58.0 133.9 90.7 69.3 2.3 150 150 A K - 0 0 122 2,-0.2 -2,-0.0 -14,-0.2 -8,-0.0 -0.968 39.3 -48.6-157.7 146.2 91.7 71.5 5.3 151 151 A A S S+ 0 0 60 -2,-0.3 2,-0.1 2,-0.1 -10,-0.1 -0.173 101.2 61.2 -62.6 153.5 94.5 73.9 5.9 152 152 A P S S- 0 0 56 0, 0.0 2,-0.2 0, 0.0 -2,-0.2 0.487 81.2-163.6 -73.3 145.2 97.3 74.2 5.6 153 153 A Y - 0 0 86 -2,-0.1 -12,-0.2 -4,-0.1 -2,-0.1 -0.605 24.9-100.0 -96.6 158.4 96.8 73.8 1.8 154 154 A T - 0 0 30 -14,-2.1 -1,-0.1 -2,-0.2 -94,-0.1 -0.537 21.5-144.7 -76.8 136.5 99.4 73.0 -0.9 155 155 A P S S+ 0 0 53 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 0.691 83.1 84.4 -71.3 -19.2 100.6 76.1 -2.7 156 156 A F + 0 0 51 4,-0.1 -2,-0.1 3,-0.1 -110,-0.0 -0.648 60.7 145.7 -97.0 89.9 100.8 74.0 -5.9 157 157 A T >> - 0 0 16 -2,-1.2 4,-2.4 8,-0.1 3,-0.8 -0.711 65.5-100.7-120.3 163.3 97.4 73.9 -7.5 158 158 A P T 34 S+ 0 0 43 0, 0.0 7,-0.1 0, 0.0 6,-0.1 0.820 122.0 61.4 -52.1 -29.6 95.9 73.8 -11.0 159 159 A E T 34 S+ 0 0 187 1,-0.2 3,-0.2 2,-0.1 -3,-0.1 0.902 105.4 44.5 -65.1 -42.1 95.2 77.5 -10.5 160 160 A V T <4 S- 0 0 38 -3,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.951 140.5 -16.5 -67.1 -46.3 98.9 78.2 -10.2 161 161 A D >< - 0 0 35 -4,-2.4 3,-2.3 1,-0.1 -1,-0.3 -0.925 56.9-129.1-162.4 133.7 99.8 76.0 -13.1 162 162 A A G > S+ 0 0 74 -2,-0.3 3,-1.2 1,-0.3 -3,-0.1 0.716 103.2 72.8 -59.6 -23.5 97.8 73.3 -15.0 163 163 A K G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -6,-0.1 -3,-0.0 0.729 84.1 69.2 -63.4 -21.0 100.7 70.9 -14.6 164 164 A Y G < + 0 0 55 -3,-2.3 2,-0.6 -7,-0.3 -1,-0.3 0.154 69.2 125.9 -84.7 23.9 99.8 70.6 -10.9 165 165 A T < - 0 0 80 -3,-1.2 2,-0.5 -8,-0.2 -26,-0.1 -0.750 47.9-156.0 -86.2 120.4 96.6 68.7 -11.8 166 166 A F + 0 0 18 -2,-0.6 2,-0.5 -28,-0.2 -2,-0.1 -0.860 19.8 173.3-104.4 123.7 96.5 65.4 -9.9 167 167 A K >> - 0 0 129 -2,-0.5 4,-2.9 1,-0.1 3,-1.2 -0.982 23.1-148.5-126.3 115.5 94.5 62.4 -11.1 168 168 A F H 3> S+ 0 0 5 -2,-0.5 4,-2.5 1,-0.3 5,-0.3 0.896 94.2 53.7 -51.4 -50.6 95.1 59.2 -8.9 169 169 A D H 34 S+ 0 0 67 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.746 118.5 37.6 -61.5 -22.3 94.6 56.6 -11.7 170 170 A E H X4 S+ 0 0 126 -3,-1.2 3,-1.1 2,-0.1 -2,-0.2 0.882 117.0 46.6 -92.1 -49.9 97.2 58.4 -13.8 171 171 A M H >< S+ 0 0 63 -4,-2.9 3,-2.1 1,-0.3 -2,-0.2 0.814 101.9 63.3 -65.6 -32.6 99.8 59.6 -11.3 172 172 A V T 3< S+ 0 0 13 -4,-2.5 -1,-0.3 -5,-0.3 -3,-0.1 0.767 106.2 48.2 -65.5 -17.6 100.0 56.2 -9.4 173 173 A K T < S+ 0 0 77 -3,-1.1 2,-1.9 -5,-0.3 -1,-0.3 0.250 77.8 127.4-101.5 11.6 101.3 54.8 -12.7 174 174 A E X> - 0 0 50 -3,-2.1 3,-2.7 1,-0.2 4,-1.4 -0.487 38.6-172.7 -76.5 85.8 103.8 57.7 -13.2 175 175 A V T 34 S+ 0 0 122 -2,-1.9 -1,-0.2 1,-0.3 -4,-0.0 0.669 78.4 62.6 -52.4 -22.8 107.0 55.7 -13.7 176 176 A K T 34 S+ 0 0 172 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.662 119.0 24.1 -79.4 -13.1 109.2 58.8 -13.6 177 177 A A T <4 S+ 0 0 33 -3,-2.7 -150,-0.4 -6,-0.2 2,-0.3 0.467 107.7 71.9-132.7 -2.4 108.2 59.5 -10.0 178 178 A M S < S- 0 0 55 -4,-1.4 3,-0.1 -153,-0.1 2,-0.0 -0.826 91.1 -93.6-109.0 154.4 107.0 56.3 -8.3 179 179 A H - 0 0 43 -2,-0.3 -161,-0.1 1,-0.1 -2,-0.1 -0.409 49.7 -97.7 -67.5 147.1 109.5 53.6 -7.3 180 180 A E - 0 0 89 -163,-0.2 2,-0.4 -162,-0.1 -159,-0.1 -0.188 38.5-118.5 -56.4 153.2 109.9 50.8 -9.8 181 181 A H - 0 0 49 22,-0.1 24,-2.5 19,-0.1 2,-0.3 -0.820 27.4-163.8-101.2 140.3 107.9 47.6 -9.2 182 182 A Y B -c 205 0C 38 -2,-0.4 22,-0.1 22,-0.2 25,-0.1 -0.898 31.0 -89.9-123.0 150.1 109.6 44.3 -8.6 183 183 A K - 0 0 92 22,-2.4 2,-0.3 -2,-0.3 18,-0.1 -0.305 36.9-144.9 -60.5 138.3 108.2 40.8 -8.7 184 184 A L - 0 0 86 1,-0.1 -1,-0.1 22,-0.0 23,-0.1 -0.737 12.9-136.2 -99.8 152.3 106.8 39.3 -5.5 185 185 A E - 0 0 145 -2,-0.3 -1,-0.1 22,-0.0 -2,-0.0 0.722 51.9-107.3 -78.5 -24.4 107.1 35.6 -4.6 186 186 A G + 0 0 24 3,-0.0 -2,-0.0 -3,-0.0 -3,-0.0 0.731 65.7 150.4 106.6 26.7 103.5 35.7 -3.5 187 187 A V + 0 0 27 -72,-0.1 -71,-2.2 -70,-0.0 2,-0.3 0.887 67.2 49.5 -56.6 -43.0 103.6 35.5 0.3 188 188 A F E +b 116 0B 40 -73,-0.2 2,-0.3 -71,-0.0 -73,-0.0 -0.719 69.2 172.0-101.7 150.1 100.4 37.4 0.6 189 189 A E E +b 117 0B 90 -73,-1.9 -71,-2.9 -2,-0.3 -70,-0.4 -0.965 29.8 32.6-150.9 167.4 97.1 36.8 -1.1 190 190 A G S S+ 0 0 40 -2,-0.3 -74,-0.0 -73,-0.2 -2,-0.0 -0.161 76.8 7.5 82.2-178.4 93.4 37.8 -1.4 191 191 A E S S+ 0 0 130 1,-0.1 -72,-0.6 2,-0.1 -2,-0.1 -0.443 96.4 50.7 -86.2 157.5 91.6 41.1 -0.8 192 192 A P S S+ 0 0 53 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.451 77.0 162.7 -78.9 135.3 91.9 43.9 -0.3 193 193 A K - 0 0 63 -2,-0.1 -2,-0.1 -64,-0.0 -65,-0.1 -0.973 46.0-102.9-121.2 134.0 94.3 43.9 -3.2 194 194 A F > - 0 0 18 -2,-0.4 3,-1.9 1,-0.1 4,-0.4 -0.253 31.2-121.8 -54.0 137.2 95.3 47.1 -5.0 195 195 A K T 3 S+ 0 0 116 1,-0.3 4,-0.2 -67,-0.2 -1,-0.1 0.709 111.1 39.1 -57.5 -24.7 93.4 47.5 -8.2 196 196 A F T 3> S+ 0 0 29 1,-0.1 4,-2.8 2,-0.1 -1,-0.3 0.167 85.3 106.0-108.3 11.6 96.6 47.7 -10.3 197 197 A H H <> S+ 0 0 38 -3,-1.9 4,-2.4 2,-0.2 5,-0.2 0.940 83.1 42.2 -57.4 -52.5 98.5 45.1 -8.3 198 198 A D H > S+ 0 0 95 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.925 114.8 52.1 -63.3 -41.1 98.3 42.3 -10.9 199 199 A E H > S+ 0 0 83 1,-0.2 4,-1.5 -4,-0.2 -2,-0.2 0.940 112.4 45.4 -58.7 -46.9 99.1 44.8 -13.7 200 200 A F H < S+ 0 0 26 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.875 114.1 48.4 -66.5 -35.7 102.2 46.1 -11.9 201 201 A Q H >< S+ 0 0 30 -4,-2.4 3,-0.6 -5,-0.2 -1,-0.2 0.876 107.5 54.9 -73.7 -33.5 103.4 42.6 -11.1 202 202 A A H 3< S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.874 117.9 36.1 -66.9 -32.5 102.9 41.3 -14.7 203 203 A S T 3< S+ 0 0 102 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.394 95.7 127.4 -98.8 2.9 105.1 44.2 -15.9 204 204 A A < - 0 0 14 -3,-0.6 -22,-0.2 -4,-0.4 -3,-0.1 -0.177 62.9-111.5 -65.3 152.9 107.5 44.1 -12.9 205 205 A K B -c 182 0C 31 -24,-2.5 -22,-2.4 1,-0.1 -1,-0.1 -0.474 49.0 -87.8 -77.3 149.4 111.3 43.9 -13.0 206 206 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 -0.320 29.0-120.9 -60.0 142.3 112.8 40.6 -11.7 207 207 A A 0 0 52 1,-0.1 -190,-0.1 -3,-0.1 -2,-0.1 0.680 360.0 360.0 -55.8 -12.1 113.4 40.6 -7.9 208 208 A K 0 0 190 -191,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.797 360.0 360.0 89.9 360.0 116.9 40.0 -9.4