==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 16-SEP-98 1BVB . COMPND 2 MOLECULE: CYTOCHROME C-554; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; . AUTHOR T.M.IVERSON,D.M.ARCIERO,B.T.HSU,M.S.P.LOGAN,A.B.HOOPER, . 211 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 0 0.0 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 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 1 A A 0 0 114 0, 0.0 2,-0.4 0, 0.0 123,-0.0 0.000 360.0 360.0 360.0 109.9 77.7 90.1 98.0 2 2 A D + 0 0 119 91,-0.1 123,-0.1 68,-0.0 3,-0.0 -0.772 360.0 167.1-126.0 89.2 77.1 93.1 100.4 3 3 A A - 0 0 10 -2,-0.4 2,-0.1 91,-0.2 68,-0.1 -0.553 48.1 -91.9 -87.4 157.5 74.1 95.4 99.7 4 4 A P - 0 0 31 0, 0.0 92,-1.3 0, 0.0 68,-0.3 -0.468 33.8-119.9 -76.5 149.7 73.1 97.7 102.5 5 5 A F + 0 0 10 66,-2.7 78,-0.1 89,-0.2 -3,-0.0 -0.535 28.8 177.6 -77.4 152.2 70.6 96.8 105.2 6 6 A E - 0 0 63 -2,-0.2 3,-0.2 1,-0.1 2,-0.2 0.580 39.0-115.2-125.8 -29.1 67.6 99.1 105.4 7 7 A G - 0 0 5 1,-0.1 4,-0.4 76,-0.1 3,-0.3 -0.449 42.3 -58.8 111.5 171.5 65.4 97.6 108.0 8 8 A R S > S+ 0 0 44 74,-2.3 4,-2.4 1,-0.2 5,-0.3 0.455 95.1 103.5 -71.8 -3.2 61.9 96.0 108.0 9 9 A K H > S+ 0 0 142 1,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.924 87.5 27.9 -50.0 -67.7 59.9 98.8 106.7 10 10 A K H > S+ 0 0 97 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.893 117.7 58.1 -66.6 -36.4 59.1 98.0 103.1 11 11 A C H > S+ 0 0 35 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.945 111.4 43.9 -55.3 -48.0 59.3 94.2 103.5 12 12 A S H < S+ 0 0 25 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.776 109.4 57.5 -70.0 -24.8 56.5 94.5 106.1 13 13 A S H >< S+ 0 0 76 -4,-1.6 3,-0.6 -5,-0.3 -2,-0.2 0.978 117.7 31.1 -67.5 -53.5 54.6 96.9 104.0 14 14 A C H 3< S+ 0 0 59 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.658 128.0 43.6 -78.6 -16.9 54.4 94.5 101.0 15 15 A H T 3X + 0 0 77 -4,-1.8 4,-2.2 -5,-0.3 5,-0.2 -0.390 65.3 151.4-126.6 56.3 54.4 91.4 103.3 16 16 A K H <> + 0 0 97 -3,-0.6 4,-2.1 1,-0.2 5,-0.2 0.889 69.7 56.7 -54.4 -47.7 52.0 92.3 106.1 17 17 A A H > S+ 0 0 5 191,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.921 112.3 41.5 -52.2 -50.9 50.9 88.7 106.9 18 18 A Q H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.897 114.8 50.5 -63.4 -43.7 54.5 87.5 107.5 19 19 A A H X S+ 0 0 19 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.732 108.3 55.6 -66.5 -24.4 55.4 90.7 109.4 20 20 A Q H < S+ 0 0 86 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.861 112.9 39.0 -75.3 -40.3 52.3 90.2 111.6 21 21 A S H >X S+ 0 0 28 -4,-1.5 3,-1.2 -5,-0.2 4,-0.5 0.860 114.3 56.6 -76.1 -38.9 53.3 86.6 112.5 22 22 A W H >< S+ 0 0 21 -4,-2.8 3,-2.2 1,-0.2 6,-0.5 0.922 92.3 66.8 -59.9 -48.4 57.0 87.7 112.9 23 23 A K T 3< S+ 0 0 90 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.617 100.3 53.8 -52.9 -10.5 56.3 90.5 115.4 24 24 A D T <4 S+ 0 0 98 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.700 89.0 99.8 -95.0 -22.1 55.3 87.7 117.9 25 25 A T S 4 S+ 0 0 44 150,-0.3 59,-2.0 1,-0.2 3,-1.5 0.902 102.5 51.4 -51.9 -44.8 63.6 87.2 117.3 28 28 A A T 34 S+ 0 0 21 -6,-0.5 3,-0.4 -3,-0.3 -1,-0.2 0.881 113.4 44.4 -61.2 -39.1 61.2 90.2 117.1 29 29 A K T >X S+ 0 0 103 -4,-1.4 3,-1.5 -3,-0.2 4,-1.1 0.243 79.9 119.5 -87.7 10.1 61.5 90.6 120.9 30 30 A A T <4 S+ 0 0 8 -3,-1.5 4,-0.5 -4,-0.3 3,-0.2 0.822 70.5 51.8 -46.5 -47.3 65.4 90.1 120.9 31 31 A M T >4 S+ 0 0 20 -3,-0.4 3,-0.9 33,-0.3 4,-0.5 0.769 98.2 67.2 -66.4 -23.9 66.3 93.5 122.3 32 32 A E G X4 S+ 0 0 94 -3,-1.5 3,-3.0 1,-0.2 -1,-0.2 0.975 92.5 60.9 -58.5 -50.8 63.9 93.1 125.2 33 33 A S G 3< S+ 0 0 27 -4,-1.1 -1,-0.2 1,-0.3 5,-0.2 0.717 98.3 58.9 -47.3 -26.8 66.1 90.2 126.5 34 34 A L G < S+ 0 0 11 -3,-0.9 20,-2.1 -4,-0.5 21,-0.6 0.632 84.1 100.1 -81.1 -15.5 69.0 92.7 126.9 35 35 A K S X S- 0 0 81 -3,-3.0 3,-1.0 -4,-0.5 17,-0.1 -0.347 86.2 -87.6 -70.6 155.0 67.1 95.0 129.2 36 36 A P T 3 S+ 0 0 44 0, 0.0 15,-0.2 0, 0.0 17,-0.1 -0.210 106.0 12.5 -61.6 148.0 67.8 94.8 133.0 37 37 A N T 3 S+ 0 0 88 13,-2.3 2,-0.4 1,-0.2 3,-0.2 0.723 98.5 120.1 55.0 29.3 65.8 92.4 135.2 38 38 A V S < S+ 0 0 48 -3,-1.0 -1,-0.2 -5,-0.2 5,-0.1 -0.925 77.5 3.2-121.8 145.9 64.4 90.6 132.2 39 39 A K S > S+ 0 0 134 -2,-0.4 4,-1.7 1,-0.1 -1,-0.2 0.859 84.5 164.2 46.0 41.8 64.9 86.9 131.5 40 40 A K H > + 0 0 98 1,-0.2 4,-2.3 -3,-0.2 8,-0.2 0.808 60.1 50.6 -59.0 -42.8 66.8 86.8 134.8 41 41 A E H > S+ 0 0 150 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.906 112.9 45.8 -69.5 -36.8 66.9 83.1 135.6 42 42 A A H > S+ 0 0 29 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.855 111.7 54.1 -70.5 -33.8 68.3 82.2 132.2 43 43 A K H <>S+ 0 0 12 -4,-1.7 5,-1.9 2,-0.2 -2,-0.2 0.931 107.8 49.6 -63.9 -46.0 70.8 85.1 132.5 44 44 A Q H ><5S+ 0 0 122 -4,-2.3 3,-1.5 3,-0.2 -2,-0.2 0.909 107.4 54.0 -61.7 -41.1 72.0 83.7 135.9 45 45 A K H 3<5S+ 0 0 104 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.873 111.5 45.1 -61.1 -37.1 72.5 80.2 134.5 46 46 A A T 3<5S- 0 0 17 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.368 121.5-111.5 -87.3 6.0 74.7 81.7 131.7 47 47 A K T < 5S+ 0 0 186 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.978 71.7 136.1 59.9 61.6 76.5 83.8 134.3 48 48 A L < - 0 0 48 -5,-1.9 -1,-0.2 -8,-0.2 -2,-0.1 -0.926 63.7 -97.5-130.8 153.7 75.2 87.1 133.1 49 49 A D > - 0 0 77 -2,-0.3 3,-1.5 1,-0.2 -12,-0.2 -0.657 24.2-157.3 -83.8 112.4 73.9 89.9 135.4 50 50 A P T 3 S+ 0 0 19 0, 0.0 -13,-2.3 0, 0.0 -12,-0.2 0.551 94.9 43.7 -61.7 -9.4 70.1 89.8 135.7 51 51 A A T 3 S+ 0 0 56 -15,-0.2 2,-0.2 -14,-0.1 -2,-0.1 0.455 89.7 105.0-116.6 -2.2 70.1 93.4 136.7 52 52 A K S < S- 0 0 94 -3,-1.5 2,-0.9 -17,-0.1 -15,-0.2 -0.513 71.4-126.5 -79.0 145.7 72.7 94.8 134.2 53 53 A D + 0 0 94 -2,-0.2 3,-0.4 1,-0.1 -18,-0.2 -0.838 33.9 171.0 -95.2 100.6 71.4 96.9 131.2 54 54 A Y > + 0 0 27 -20,-2.1 3,-2.6 -2,-0.9 7,-0.3 0.528 43.1 108.4 -89.2 -5.9 73.0 95.1 128.3 55 55 A T T 3 S+ 0 0 28 -21,-0.6 -1,-0.2 1,-0.3 -20,-0.1 0.415 88.6 32.4 -54.7 -3.3 71.1 97.0 125.6 56 56 A Q T 3 S+ 0 0 140 -3,-0.4 2,-0.6 -22,-0.1 -1,-0.3 0.119 87.1 123.7-138.7 18.1 74.2 99.0 124.5 57 57 A D X> - 0 0 37 -3,-2.6 3,-2.1 1,-0.1 4,-2.1 -0.737 54.5-149.5 -85.5 118.8 76.8 96.4 125.1 58 58 A K T 34 S+ 0 0 150 -2,-0.6 4,-0.3 1,-0.3 -1,-0.1 0.647 96.3 64.6 -65.7 -11.4 78.8 95.7 122.0 59 59 A D T 34 S+ 0 0 101 -5,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.299 117.4 24.2 -89.8 9.0 79.3 92.1 123.3 60 60 A C T X4 S+ 0 0 32 -3,-2.1 3,-1.8 -6,-0.1 4,-0.3 0.635 104.3 66.7-135.3 -50.1 75.6 91.5 123.0 61 61 A V G >< S+ 0 0 0 -4,-2.1 3,-2.1 -7,-0.3 4,-0.5 0.783 83.3 78.5 -54.4 -33.4 73.6 93.7 120.5 62 62 A G G 3 S+ 0 0 24 -4,-0.3 6,-0.5 1,-0.3 -1,-0.3 0.756 102.1 38.9 -48.9 -27.4 75.3 92.2 117.4 63 63 A C G < S+ 0 0 46 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.473 112.3 53.7-105.6 -0.8 73.0 89.2 117.7 64 64 A H S < S+ 0 0 52 -3,-2.1 21,-1.4 -4,-0.3 2,-0.3 0.149 107.3 57.3-115.5 22.3 69.8 90.8 118.8 65 65 A V B > S-Ab 84 85A 4 -4,-0.5 3,-0.6 -3,-0.2 2,-0.3 -0.952 89.5 -87.6-150.9 158.7 69.7 93.2 115.9 66 66 A D T 3 S- 0 0 0 17,-1.9 8,-2.4 19,-0.6 4,-0.2 -0.531 95.3 -22.0 -76.2 130.3 69.7 93.5 112.1 67 67 A G T > S- 0 0 9 -2,-0.3 3,-1.9 6,-0.2 6,-0.3 0.799 74.3-169.5 42.2 45.5 73.0 93.6 110.3 68 68 A F T < S+ 0 0 73 -3,-0.6 -1,-0.1 -6,-0.5 7,-0.1 -0.390 75.1 15.9 -61.2 138.7 75.2 94.8 113.1 69 69 A G T 3 S+ 0 0 67 5,-0.7 2,-0.3 1,-0.2 -1,-0.3 0.575 108.6 109.3 74.6 7.4 78.6 95.8 111.8 70 70 A Q S X S- 0 0 88 -3,-1.9 3,-2.8 4,-0.2 -1,-0.2 -0.830 84.6 -79.9-117.5 155.2 77.3 95.9 108.2 71 71 A K T 3 S+ 0 0 157 -2,-0.3 -66,-2.7 1,-0.3 -1,-0.1 -0.306 118.5 4.0 -52.0 121.0 76.6 98.7 105.7 72 72 A G T 3 S+ 0 0 36 -68,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.342 105.0 127.3 85.1 -2.2 73.3 100.2 106.7 73 73 A G < - 0 0 13 -3,-2.8 -1,-0.2 -6,-0.3 -6,-0.2 -0.042 66.4 -58.3 -81.4-175.9 72.8 98.1 109.8 74 74 A Y - 0 0 18 -8,-2.4 -5,-0.7 9,-0.2 2,-0.3 -0.304 48.8-168.5 -60.0 137.7 72.0 98.7 113.4 75 75 A T - 0 0 64 3,-0.4 5,-0.2 1,-0.1 -7,-0.0 -0.953 25.0-144.6-126.5 150.0 74.4 100.9 115.4 76 76 A I S S+ 0 0 38 -2,-0.3 -1,-0.1 1,-0.2 -19,-0.0 0.917 101.1 64.2 -74.4 -46.4 74.4 101.4 119.2 77 77 A E S S+ 0 0 187 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.833 122.9 12.8 -41.8 -45.5 75.5 105.1 118.6 78 78 A S S S- 0 0 65 2,-0.0 -3,-0.4 0, 0.0 -1,-0.3 -0.668 83.4-150.8-142.5 83.7 72.1 105.8 116.8 79 79 A P - 0 0 71 0, 0.0 -3,-0.1 0, 0.0 5,-0.1 -0.251 6.0-162.5 -58.4 138.6 69.5 103.1 117.3 80 80 A K > - 0 0 126 -5,-0.2 3,-1.9 1,-0.1 -2,-0.0 -0.987 12.4-148.4-123.3 114.5 66.9 102.7 114.5 81 81 A P G > S+ 0 0 95 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.748 95.4 64.2 -55.5 -26.8 63.7 100.7 115.5 82 82 A M G 3 S+ 0 0 78 1,-0.3 -74,-2.3 -76,-0.1 -76,-0.1 0.678 108.6 43.4 -71.6 -15.2 63.2 99.3 112.1 83 83 A L G < S+ 0 0 9 -3,-1.9 -17,-1.9 -76,-0.2 2,-0.5 0.090 91.3 106.2-111.7 14.9 66.5 97.5 112.6 84 84 A T B < S+A 65 0A 36 -3,-1.4 -19,-0.2 -19,-0.2 2,-0.2 -0.887 71.9 21.9-109.3 131.4 66.0 96.3 116.2 85 85 A G B S-b 65 0A 0 -21,-1.4 2,-0.8 -2,-0.5 -19,-0.6 -0.300 114.2 -63.6 102.0 166.4 65.3 92.7 117.0 86 86 A V S S- 0 0 14 -59,-2.0 -56,-0.1 -21,-0.2 -2,-0.1 -0.804 76.5-179.4 -88.3 114.0 66.4 90.2 114.3 87 87 A G >> - 0 0 2 -2,-0.8 3,-1.6 -4,-0.1 4,-0.8 -0.201 41.0 -61.1-102.8-166.1 64.3 91.1 111.4 88 88 A C H >> S+ 0 0 26 1,-0.3 4,-2.9 2,-0.2 3,-0.8 0.828 128.1 49.1 -45.3 -47.2 63.5 90.2 107.8 89 89 A E H 3> S+ 0 0 4 1,-0.2 4,-1.7 3,-0.2 -1,-0.3 0.713 93.8 73.0 -72.5 -18.2 67.0 90.9 106.5 90 90 A S H <4 S+ 0 0 26 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 119.2 19.2 -65.7 -27.0 68.7 88.9 109.2 91 91 A C H << S+ 0 0 36 -3,-0.8 39,-0.3 -4,-0.8 38,-0.2 0.785 133.6 41.2-105.4 -42.3 67.4 85.8 107.4 92 92 A H H < S- 0 0 60 -4,-2.9 35,-2.6 -5,-0.2 -3,-0.2 0.586 109.5-115.8 -84.8 -12.9 66.6 87.1 103.9 93 93 A G < - 0 0 0 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.024 46.3 -43.8 98.2 159.7 69.6 89.3 103.5 94 94 A P - 0 0 5 0, 0.0 -89,-0.2 0, 0.0 3,-0.2 -0.359 57.0-164.8 -55.9 133.8 70.2 93.0 103.1 95 95 A G > + 0 0 4 1,-0.1 4,-2.0 2,-0.1 5,-0.3 0.259 53.2 111.0-115.8 19.8 67.5 94.1 100.6 96 96 A R T 4 S+ 0 0 138 -92,-1.3 4,-0.3 1,-0.2 -1,-0.1 0.918 94.8 33.5 -56.6 -39.9 68.4 97.5 99.3 97 97 A N T 4 S+ 0 0 79 27,-0.3 4,-0.4 -93,-0.2 -1,-0.2 0.665 121.1 44.5 -92.3 -16.0 69.1 95.9 95.9 98 98 A F T > S+ 0 0 11 26,-0.2 4,-1.2 -4,-0.2 3,-0.4 0.723 95.4 67.4-104.9 -18.3 66.6 93.1 95.7 99 99 A R H X S+ 0 0 81 -4,-2.0 4,-1.6 1,-0.2 5,-0.1 0.826 91.3 69.0 -69.4 -26.0 63.3 94.6 96.9 100 100 A G H > S+ 0 0 38 -5,-0.3 4,-2.0 -4,-0.3 3,-0.5 0.935 101.7 44.7 -53.8 -47.2 63.4 96.7 93.8 101 101 A D H > S+ 0 0 30 -3,-0.4 4,-2.5 -4,-0.4 5,-0.4 0.799 103.3 64.9 -68.6 -27.7 62.8 93.5 91.8 102 102 A H H X S+ 0 0 43 -4,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.877 108.7 41.1 -63.2 -32.8 60.1 92.3 94.2 103 103 A R H X S+ 0 0 159 -4,-1.6 4,-2.3 -3,-0.5 3,-0.4 0.987 116.6 45.4 -74.1 -63.2 58.1 95.3 93.1 104 104 A K H X S+ 0 0 159 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.892 116.4 46.3 -44.7 -54.5 58.8 95.3 89.4 105 105 A S H X S+ 0 0 7 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.838 107.9 57.0 -60.5 -37.5 58.2 91.5 89.1 106 106 A G H X S+ 0 0 15 -4,-1.1 4,-2.0 -3,-0.4 -1,-0.2 0.941 111.8 42.4 -59.2 -47.7 55.1 91.7 91.1 107 107 A Q H X S+ 0 0 92 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.868 114.0 50.8 -65.9 -41.7 53.6 94.2 88.7 108 108 A A H X S+ 0 0 38 -4,-2.5 4,-2.0 -5,-0.2 6,-0.8 0.953 113.0 46.5 -61.8 -49.1 54.9 92.3 85.6 109 109 A F H X S+ 0 0 40 -4,-3.1 4,-1.4 4,-0.2 -2,-0.2 0.862 114.6 46.7 -62.1 -36.8 53.4 89.1 86.9 110 110 A E H < S+ 0 0 83 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.935 117.7 42.5 -73.6 -42.7 50.1 90.8 87.8 111 111 A K H < S+ 0 0 191 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.998 137.3 3.4 -64.3 -67.2 49.8 92.6 84.4 112 112 A S H < S- 0 0 66 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.141 95.5-105.6-112.2 21.9 50.9 89.9 82.0 113 113 A G < + 0 0 48 -4,-1.4 -4,-0.2 -5,-0.3 -3,-0.1 0.523 65.8 155.2 71.1 3.2 51.5 86.6 83.9 114 114 A K - 0 0 131 -6,-0.8 2,-0.3 -7,-0.1 -1,-0.2 -0.231 26.9-153.4 -64.2 152.1 55.4 86.9 83.6 115 115 A K - 0 0 107 -7,-0.1 73,-0.2 -6,-0.0 72,-0.1 -0.886 3.5-140.2-128.9 156.3 57.7 85.3 86.1 116 116 A T E -c 188 0B 18 71,-3.2 73,-2.0 -2,-0.3 2,-0.2 -0.922 20.6-117.8-119.5 141.5 61.2 86.1 87.3 117 117 A P E >> -c 189 0B 59 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.549 17.1-132.3 -76.1 141.7 64.1 83.7 88.1 118 118 A R H >> S+ 0 0 19 71,-2.2 4,-3.2 1,-0.3 3,-0.5 0.776 100.9 79.4 -61.2 -26.4 65.3 83.6 91.7 119 119 A K H 3> S+ 0 0 120 72,-0.7 4,-2.2 70,-0.3 -1,-0.3 0.868 90.0 51.9 -49.3 -41.0 68.8 83.9 90.2 120 120 A D H <> S+ 0 0 55 -3,-1.3 4,-1.4 2,-0.2 -1,-0.3 0.878 111.5 46.4 -65.3 -38.7 68.3 87.6 89.7 121 121 A L H <<>S+ 0 0 1 -4,-0.6 5,-2.6 -3,-0.5 -2,-0.2 0.927 112.5 49.4 -70.7 -45.1 67.2 88.0 93.3 122 122 A A H ><5S+ 0 0 35 -4,-3.2 3,-1.5 3,-0.2 -2,-0.2 0.868 108.3 54.5 -61.4 -35.9 70.2 85.9 94.6 123 123 A K H 3<5S+ 0 0 134 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.904 107.9 49.9 -64.5 -36.6 72.6 88.0 92.4 124 124 A K T 3<5S- 0 0 79 -4,-1.4 -27,-0.3 -5,-0.2 -1,-0.3 0.241 133.3 -91.1 -86.8 15.3 71.2 91.2 94.1 125 125 A G T < 5S+ 0 0 15 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.428 72.0 148.8 96.9 -1.5 71.8 89.6 97.5 126 126 A Q < - 0 0 26 -5,-2.6 2,-0.5 -8,-0.1 -1,-0.3 -0.463 42.0-131.1 -69.5 144.3 68.6 87.8 98.5 127 127 A D + 0 0 30 -35,-2.6 -1,-0.1 -2,-0.1 -5,-0.0 -0.839 32.4 167.6-100.2 123.5 69.2 84.7 100.7 128 128 A F S S+ 0 0 27 -2,-0.5 67,-0.2 65,-0.1 -1,-0.1 0.049 75.5 44.7-118.2 26.4 67.6 81.4 99.8 129 129 A H - 0 0 112 -38,-0.2 66,-0.2 65,-0.1 2,-0.2 0.897 68.6-178.0-121.5 -40.3 69.6 79.1 102.1 130 130 A F >> + 0 0 32 -39,-0.3 4,-1.8 64,-0.1 3,-0.8 -0.620 45.2 104.9-141.9 5.6 69.8 80.6 105.2 131 131 A E H 3> S+ 0 0 69 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.734 80.2 56.0 -45.7 -38.6 71.9 78.4 107.4 132 132 A E H 3> S+ 0 0 122 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.937 108.0 50.2 -66.2 -41.6 75.1 80.5 107.4 133 133 A R H X> S+ 0 0 77 -3,-0.8 4,-0.8 1,-0.2 3,-0.6 0.966 113.0 44.2 -59.2 -54.5 73.1 83.5 108.6 134 134 A C H >X S+ 0 0 27 -4,-1.8 4,-3.0 1,-0.2 3,-1.0 0.902 110.4 57.9 -55.0 -44.2 71.5 81.7 111.5 135 135 A S H 3X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.835 93.8 63.3 -56.1 -37.8 74.8 80.0 112.4 136 136 A A H << S+ 0 0 41 -4,-1.7 -1,-0.2 -3,-0.6 -2,-0.2 0.862 118.3 29.6 -57.4 -33.7 76.7 83.3 112.8 137 137 A C H << S+ 0 0 39 -3,-1.0 3,-0.4 -4,-0.8 -2,-0.2 0.882 129.7 35.3 -92.6 -46.0 74.3 84.0 115.8 138 138 A H H < S+ 0 0 75 -4,-3.0 -3,-0.2 1,-0.2 28,-0.2 0.746 123.3 36.5 -84.4 -29.1 73.5 80.5 117.0 139 139 A L S < S+ 0 0 10 -4,-2.4 2,-1.6 -5,-0.3 7,-0.4 0.037 75.2 123.6-115.8 29.8 76.6 78.6 116.6 140 140 A N + 0 0 15 -3,-0.4 14,-2.2 9,-0.1 2,-0.3 -0.500 48.2 100.6 -88.0 67.4 79.2 81.3 117.4 141 141 A Y S > S- 0 0 35 -2,-1.6 3,-1.8 12,-0.2 5,-0.2 -0.986 82.7 -91.7-147.3 147.7 80.9 79.3 120.2 142 142 A E T 3 S+ 0 0 130 -2,-0.3 5,-0.1 1,-0.2 -2,-0.0 -0.355 112.4 25.4 -59.3 134.5 84.1 77.4 120.3 143 143 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 3,-0.1 -3,-0.1 0.390 91.1 123.8 92.8 -6.0 83.5 73.7 119.6 144 144 A S S < S- 0 0 17 -3,-1.8 -1,-0.3 2,-0.2 5,-0.1 -0.408 77.2-106.8 -81.5 167.5 80.3 74.2 117.5 145 145 A P S S+ 0 0 114 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.490 93.6 96.7 -73.0 -5.0 80.1 72.9 113.9 146 146 A W - 0 0 45 -7,-0.4 3,-0.3 -5,-0.2 -2,-0.2 -0.777 69.7-140.4 -92.9 124.0 80.4 76.4 112.6 147 147 A K S S+ 0 0 196 -2,-0.5 -8,-0.1 1,-0.2 -5,-0.0 -0.392 79.1 40.9 -75.9 156.2 83.9 77.6 111.4 148 148 A G + 0 0 55 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.896 69.1 164.3 76.1 37.7 85.0 81.1 112.2 149 149 A A + 0 0 18 -3,-0.3 2,-0.3 -5,-0.1 -1,-0.2 -0.724 8.5 159.3 -87.6 134.4 83.7 81.5 115.7 150 150 A K - 0 0 160 -2,-0.4 -10,-0.0 2,-0.2 0, 0.0 -0.987 37.0 -40.8-156.4 150.0 85.2 84.5 117.6 151 151 A A S S+ 0 0 71 -2,-0.3 -10,-0.1 1,-0.1 2,-0.0 -0.215 105.9 61.4 -53.8 141.8 84.3 86.7 120.5 152 152 A P S S- 0 0 61 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.237 85.0-163.7 -77.0 126.3 81.7 87.9 121.4 153 153 A Y - 0 0 102 1,-0.1 -12,-0.2 -4,-0.1 -2,-0.1 -0.349 30.6 -96.3 -76.0 154.3 80.5 84.3 121.7 154 154 A T - 0 0 27 -14,-2.2 -1,-0.1 1,-0.2 -94,-0.1 -0.565 31.9-153.3 -67.4 123.8 76.9 83.2 122.0 155 155 A P S S+ 0 0 58 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.721 78.1 73.2 -76.4 -14.4 76.4 82.9 125.8 156 156 A F + 0 0 57 4,-0.1 -2,-0.1 3,-0.1 -110,-0.0 -0.814 63.8 137.1-106.5 101.4 73.6 80.3 125.3 157 157 A T S >> S- 0 0 18 -2,-0.8 4,-1.9 8,-0.1 3,-1.6 -0.769 70.4 -84.9-130.4 173.4 75.0 77.0 124.2 158 158 A P T 34 S+ 0 0 44 0, 0.0 7,-0.1 0, 0.0 5,-0.1 0.825 122.7 63.6 -52.9 -33.9 74.4 73.3 125.0 159 159 A E T 34 S+ 0 0 183 1,-0.2 3,-0.2 2,-0.1 -3,-0.1 0.818 106.8 43.1 -60.9 -30.0 76.8 73.6 128.0 160 160 A V T <4 S- 0 0 36 -3,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.947 141.3 -21.5 -78.8 -52.6 74.5 76.1 129.6 161 161 A D >< - 0 0 44 -4,-1.9 3,-1.9 1,-0.0 -1,-0.3 -0.934 56.0-125.6-160.9 135.1 71.4 74.1 128.8 162 162 A A G > S+ 0 0 69 -2,-0.3 3,-1.6 1,-0.3 -3,-0.1 0.679 101.3 76.6 -57.3 -22.3 70.6 71.4 126.2 163 163 A K G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -6,-0.1 0, 0.0 0.847 86.5 66.6 -59.5 -26.3 67.6 73.4 124.9 164 164 A Y G < + 0 0 54 -3,-1.9 2,-0.8 -7,-0.3 -1,-0.3 0.189 65.4 121.5 -79.3 16.7 70.2 75.6 123.1 165 165 A T < - 0 0 52 -3,-1.6 2,-0.5 -8,-0.2 -26,-0.1 -0.757 58.7-143.5 -83.4 117.9 71.5 72.9 120.8 166 166 A F + 0 0 24 -2,-0.8 2,-0.4 -28,-0.2 -2,-0.1 -0.698 25.6 174.6 -88.5 125.3 70.8 74.4 117.4 167 167 A K >> - 0 0 98 -2,-0.5 4,-3.8 1,-0.2 3,-1.3 -0.894 14.1-163.9-131.5 99.5 69.7 72.2 114.5 168 168 A F H 3> S+ 0 0 6 -2,-0.4 4,-3.2 1,-0.3 5,-0.4 0.918 86.5 58.2 -48.0 -52.7 68.8 74.1 111.4 169 169 A D H 34 S+ 0 0 85 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.751 118.8 32.3 -56.7 -23.1 67.0 71.3 109.7 170 170 A E H X4 S+ 0 0 111 -3,-1.3 3,-1.1 2,-0.1 -2,-0.2 0.842 119.6 50.5 -98.1 -44.4 64.6 71.1 112.6 171 171 A M H >< S+ 0 0 50 -4,-3.8 3,-1.8 1,-0.3 6,-0.2 0.835 99.8 61.1 -68.1 -32.8 64.5 74.6 113.7 172 172 A V T 3< S+ 0 0 9 -4,-3.2 -1,-0.3 1,-0.3 -3,-0.1 0.737 100.2 62.7 -62.8 -18.7 63.8 76.2 110.2 173 173 A K T < S+ 0 0 85 -3,-1.1 2,-0.8 -5,-0.4 -1,-0.3 0.296 78.5 94.0 -90.9 12.5 60.6 74.2 110.4 174 174 A E X> - 0 0 76 -3,-1.8 3,-2.6 1,-0.1 4,-2.2 -0.839 54.1-167.5-107.3 96.7 59.1 75.9 113.5 175 175 A V T 34 S+ 0 0 39 -2,-0.8 -1,-0.1 1,-0.3 5,-0.1 0.676 88.5 63.2 -55.3 -18.3 56.8 78.7 112.3 176 176 A K T 34 S+ 0 0 146 3,-0.1 -150,-0.4 1,-0.1 -1,-0.3 0.746 111.6 37.5 -78.4 -19.9 56.8 80.0 116.0 177 177 A A T <4 S+ 0 0 30 -3,-2.6 -150,-0.3 -6,-0.2 -2,-0.2 0.802 135.7 19.5 -95.8 -39.0 60.5 80.6 115.6 178 178 A M S < S- 0 0 40 -4,-2.2 2,-0.2 -7,-0.2 -3,-0.2 0.855 113.7 -95.6 -89.3 -83.3 60.6 81.8 112.0 179 179 A H - 0 0 29 -155,-0.1 -3,-0.1 -156,-0.0 -1,-0.1 -0.821 42.2 -66.5 169.8 159.3 57.0 82.9 111.2 180 180 A E - 0 0 47 -2,-0.2 2,-0.4 -162,-0.2 -159,-0.1 -0.331 49.5-131.4 -60.5 141.4 53.9 81.5 109.6 181 181 A H - 0 0 33 19,-0.1 24,-2.0 22,-0.1 2,-0.3 -0.831 21.4-163.9-100.3 135.0 54.2 80.8 105.9 182 182 A Y B -d 205 0C 18 -2,-0.4 22,-0.1 22,-0.2 25,-0.1 -0.855 32.1 -79.5-117.7 154.0 51.5 82.1 103.5 183 183 A K - 0 0 91 22,-2.1 2,-0.3 -2,-0.3 25,-0.1 -0.239 38.1-153.0 -59.1 128.1 50.6 81.2 99.9 184 184 A L - 0 0 90 1,-0.1 -1,-0.1 -2,-0.1 20,-0.0 -0.706 15.8-147.1 -99.3 148.6 52.7 82.6 97.0 185 185 A E - 0 0 162 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.625 50.1-116.4 -86.0 -18.2 51.3 83.0 93.6 186 186 A G + 0 0 26 -71,-0.0 -2,-0.0 3,-0.0 -3,-0.0 0.929 57.3 157.7 86.7 50.4 54.8 82.2 92.4 187 187 A V S S+ 0 0 29 -72,-0.1 -71,-3.2 -85,-0.0 2,-0.4 0.777 72.4 54.4 -74.0 -22.8 56.1 85.3 90.6 188 188 A F E S+c 116 0B 41 -73,-0.2 2,-0.3 -70,-0.0 -73,-0.0 -0.869 71.3 163.8-111.8 144.0 59.6 84.0 91.3 189 189 A E E +c 117 0B 89 -73,-2.0 -71,-2.2 -2,-0.4 -70,-0.3 -0.954 27.2 36.3-151.4 166.6 60.8 80.5 90.3 190 190 A G S S+ 0 0 40 -2,-0.3 -74,-0.0 -73,-0.2 -2,-0.0 -0.154 76.2 11.9 84.5-179.3 63.8 78.4 89.8 191 191 A E S S+ 0 0 130 1,-0.2 -72,-0.7 2,-0.1 -2,-0.1 -0.458 99.5 51.1 -79.1 150.4 67.2 78.0 91.5 192 192 A P S S+ 0 0 52 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.320 82.2 166.2 -77.3 121.2 68.5 78.9 94.1 193 193 A K - 0 0 70 -64,-0.0 -2,-0.1 2,-0.0 -65,-0.1 -0.932 41.4-109.6-111.6 126.5 65.4 77.4 95.6 194 194 A F > - 0 0 15 -2,-0.5 3,-2.0 1,-0.1 4,-0.4 -0.220 26.6-125.3 -51.8 134.3 65.2 76.8 99.4 195 195 A K T 3 S+ 0 0 108 1,-0.3 4,-0.1 -67,-0.2 -1,-0.1 0.656 109.0 36.7 -59.2 -21.0 65.1 73.0 100.1 196 196 A F T 3> S+ 0 0 26 2,-0.1 4,-3.1 1,-0.1 -1,-0.3 0.170 87.5 106.4-113.8 10.8 61.9 73.1 102.2 197 197 A H H <> S+ 0 0 42 -3,-2.0 4,-2.7 2,-0.2 5,-0.2 0.932 81.0 43.8 -58.6 -49.5 60.2 75.8 100.0 198 198 A D H > S+ 0 0 96 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.893 114.9 51.2 -66.1 -36.5 57.8 73.4 98.3 199 199 A E H > S+ 0 0 98 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.955 111.8 45.9 -66.0 -44.8 57.0 71.8 101.6 200 200 A F H >< S+ 0 0 25 -4,-3.1 3,-0.5 1,-0.2 4,-0.3 0.945 116.5 44.7 -61.4 -48.4 56.4 75.2 103.3 201 201 A Q H >< S+ 0 0 28 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.796 104.7 63.4 -65.3 -32.4 54.2 76.4 100.5 202 202 A A H 3< S+ 0 0 78 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.845 116.3 30.7 -62.8 -31.1 52.4 73.1 100.2 203 203 A S T << S+ 0 0 94 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.286 92.0 134.1-111.6 13.7 51.0 73.7 103.7 204 204 A A < - 0 0 12 -3,-0.7 -22,-0.2 -4,-0.3 3,-0.1 -0.256 59.6-111.1 -69.6 150.3 50.8 77.5 103.8 205 205 A K B -d 182 0C 83 -24,-2.0 -22,-2.1 1,-0.1 -1,-0.1 -0.428 52.9 -84.8 -69.9 150.4 47.9 79.5 105.2 206 206 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 -0.225 51.7 -95.5 -62.2 149.9 46.0 81.3 102.4 207 207 A A + 0 0 62 -3,-0.1 2,-0.2 -25,-0.1 -23,-0.1 -0.018 49.7 163.6 -58.1 164.5 47.3 84.7 101.3 208 208 A K + 0 0 117 2,-0.1 -191,-0.5 -25,-0.1 -26,-0.0 -0.805 35.5 57.2 175.7 142.0 45.8 88.0 102.6 209 209 A K S S- 0 0 91 -2,-0.2 -193,-0.2 -193,-0.1 -2,-0.0 0.621 87.4 -92.6 105.9 21.8 46.4 91.8 103.0 210 210 A G 0 0 69 -195,-0.1 -194,-0.2 -194,-0.0 -2,-0.1 0.160 360.0 360.0 71.1 173.0 46.9 93.2 99.4 211 211 A K 0 0 176 -196,-0.1 -105,-0.0 -105,-0.0 -196,-0.0 0.076 360.0 360.0-170.8 360.0 49.8 94.0 97.0