==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-SEP-09 3JQQ . COMPND 2 MOLECULE: FERREDOXIN NADP REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR G.CANEVARI,M.MILANI,M.BOLOGNESI . 1565 32 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 75047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1046 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 166 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 128 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 187 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.3 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 7 0 0 10 3 1 20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 12 6 6 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 . 15 3 3 14 0 12 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 . 3 0 0 6 0 4 2 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 5 A N 0 0 155 0, 0.0 42,-0.0 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 172.7 23.2 92.9 0.0 2 6 A F > + 0 0 72 107,-0.0 3,-0.9 2,-0.0 108,-0.6 0.275 360.0 125.3-106.3 8.3 23.3 90.8 3.2 3 7 A I B 3 S-a 110 0A 30 1,-0.2 108,-0.2 106,-0.1 107,-0.1 -0.555 80.9 -5.7 -78.8 125.3 22.5 87.6 1.5 4 8 A N T 3 S+ 0 0 88 106,-2.0 -1,-0.2 -2,-0.4 105,-0.1 0.682 78.6 141.0 68.8 21.3 24.9 84.6 1.9 5 9 A L S < S+ 0 0 75 -3,-0.9 2,-0.4 38,-0.2 -2,-0.1 0.800 78.4 35.2 -59.1 -29.8 27.4 86.7 3.9 6 10 A Y S S+ 0 0 43 -4,-0.2 103,-0.3 104,-0.1 2,-0.2 -0.987 77.4 177.5-126.9 141.1 27.7 83.5 5.9 7 11 A T - 0 0 48 3,-0.5 3,-0.5 -2,-0.4 102,-0.0 -0.691 49.8 -89.0-130.1 179.9 27.4 79.9 4.5 8 12 A V S S+ 0 0 22 1,-0.2 100,-0.0 -2,-0.2 53,-0.0 0.720 129.0 50.9 -67.2 -17.9 27.7 76.4 5.8 9 13 A K S S+ 0 0 114 1,-0.2 -1,-0.2 318,-0.0 99,-0.0 0.652 126.7 21.6 -94.4 -18.2 31.4 76.6 5.1 10 14 A N S S+ 0 0 81 -3,-0.5 -3,-0.5 2,-0.0 -1,-0.2 -0.408 84.0 170.3-142.7 69.1 31.9 79.9 7.0 11 15 A P - 0 0 22 0, 0.0 2,-0.5 0, 0.0 97,-0.2 -0.317 37.6-106.3 -75.8 159.7 29.0 80.2 9.4 12 16 A L E -B 107 0B 18 95,-2.5 95,-2.2 -2,-0.0 2,-0.7 -0.753 26.5-133.1 -88.3 129.1 28.9 82.9 12.2 13 17 A K E +B 106 0B 116 -2,-0.5 2,-0.2 93,-0.2 93,-0.2 -0.737 37.3 172.0 -83.7 115.4 29.5 81.7 15.7 14 18 A C E -B 105 0B 4 91,-3.1 91,-2.2 -2,-0.7 2,-0.4 -0.723 24.8-127.0-121.4 170.2 26.8 83.1 18.0 15 19 A K E -BC 104 37B 77 22,-2.5 22,-3.5 -2,-0.2 2,-0.5 -0.962 18.1-121.9-125.3 137.2 25.6 82.8 21.6 16 20 A I E + C 0 36B 3 87,-1.9 86,-2.4 -2,-0.4 20,-0.2 -0.609 28.2 174.5 -71.3 118.9 22.2 82.0 23.1 17 21 A V E + 0 0 62 18,-3.5 2,-0.3 -2,-0.5 -1,-0.2 0.835 67.1 3.9 -91.5 -42.0 21.2 84.9 25.5 18 22 A D E - C 0 35B 60 17,-1.2 17,-2.0 82,-0.1 2,-0.3 -0.974 50.6-163.0-143.6 158.8 17.7 83.6 26.3 19 23 A K E - C 0 34B 43 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.903 22.0-179.3-143.9 109.4 15.4 80.7 25.6 20 24 A I E - C 0 33B 72 13,-2.6 13,-3.0 -2,-0.3 2,-0.6 -0.921 33.2-120.3-122.5 132.6 11.7 81.3 26.3 21 25 A N E - C 0 32B 92 -2,-0.4 11,-0.2 11,-0.2 -2,-0.0 -0.599 27.0-166.2 -67.3 115.8 8.6 79.1 26.0 22 26 A L + 0 0 21 9,-3.4 158,-0.3 -2,-0.6 157,-0.3 0.664 61.3 66.3 -82.9 -20.8 6.5 81.0 23.5 23 27 A V S S- 0 0 11 8,-0.6 153,-0.2 155,-0.1 152,-0.1 -0.615 76.4-124.8-102.0 164.5 3.2 79.2 24.0 24 28 A R > - 0 0 69 151,-2.4 3,-2.6 -2,-0.2 5,-0.2 -0.648 40.3 -89.9-108.8 166.9 0.9 79.0 27.0 25 29 A P T 3 S+ 0 0 123 0, 0.0 151,-0.0 0, 0.0 -2,-0.0 0.605 119.0 61.3 -64.8 -16.2 -0.2 75.8 28.7 26 30 A N T 3 S+ 0 0 122 2,-0.0 150,-0.1 0, 0.0 149,-0.1 0.468 84.5 102.4 -83.8 -1.1 -3.4 75.1 26.6 27 31 A S < - 0 0 19 -3,-2.6 -4,-0.0 148,-0.3 149,-0.0 -0.611 63.0-153.3 -80.1 139.7 -1.3 74.9 23.5 28 32 A P S S+ 0 0 72 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.349 74.4 89.7 -86.5 3.6 -0.5 71.4 22.0 29 33 A N - 0 0 47 -5,-0.2 2,-0.5 2,-0.0 -2,-0.1 -0.634 65.9-148.3 -99.3 157.8 2.6 73.1 20.5 30 34 A E + 0 0 28 52,-0.3 52,-3.4 -2,-0.2 2,-0.4 -0.957 29.4 164.6-123.1 112.1 6.1 73.5 21.9 31 35 A V E - D 0 81B 2 -2,-0.5 -9,-3.4 50,-0.3 -8,-0.6 -0.989 18.6-159.4-134.2 127.9 7.8 76.6 20.6 32 36 A Y E -CD 21 80B 36 48,-2.2 48,-2.8 -2,-0.4 2,-0.5 -0.884 10.0-147.0-109.5 136.1 10.9 78.5 21.9 33 37 A H E -CD 20 79B 26 -13,-3.0 -13,-2.6 -2,-0.4 2,-0.5 -0.862 21.0-158.3 -90.6 127.8 11.9 82.1 21.3 34 38 A L E -CD 19 78B 0 44,-2.4 44,-1.2 -2,-0.5 2,-0.6 -0.949 10.8-155.8-112.1 126.6 15.7 82.3 21.1 35 39 A E E -CD 18 77B 54 -17,-2.0 -18,-3.5 -2,-0.5 -17,-1.2 -0.905 22.2-164.4 -94.8 120.0 17.6 85.6 21.8 36 40 A I E -CD 16 76B 0 40,-4.0 40,-2.6 -2,-0.6 2,-0.6 -0.925 15.7-148.2-116.0 123.9 20.9 85.2 19.9 37 41 A N E +C 15 0B 54 -22,-3.5 -22,-2.5 -2,-0.5 38,-0.1 -0.792 22.4 168.4 -85.5 120.7 24.0 87.4 20.4 38 42 A H > - 0 0 7 -2,-0.6 3,-2.1 36,-0.4 4,-0.4 0.132 53.1-112.4-119.7 16.2 25.9 87.7 17.1 39 43 A N T 3 - 0 0 115 1,-0.3 36,-0.1 2,-0.2 -2,-0.1 0.754 66.2 -70.1 58.1 27.9 28.3 90.4 18.1 40 44 A G T 3 S+ 0 0 45 34,-0.4 -1,-0.3 1,-0.1 35,-0.1 0.521 118.2 107.5 71.8 6.2 26.6 92.9 15.7 41 45 A L < + 0 0 88 -3,-2.1 2,-0.6 2,-0.1 -2,-0.2 0.744 45.5 88.7 -93.2 -26.6 28.1 90.8 12.8 42 46 A F - 0 0 4 -4,-0.4 2,-0.4 67,-0.1 -4,-0.1 -0.655 68.1-154.8 -75.5 119.3 25.0 89.0 11.4 43 47 A K + 0 0 97 -2,-0.6 67,-0.7 -41,-0.2 2,-0.3 -0.790 26.3 144.2-100.7 136.0 23.6 91.3 8.8 44 48 A Y - 0 0 1 -2,-0.4 2,-0.3 65,-0.1 6,-0.0 -0.995 39.1-132.2-162.7 159.4 19.9 91.2 7.9 45 49 A L > - 0 0 72 -2,-0.3 3,-2.3 25,-0.1 22,-0.2 -0.862 52.1 -82.2-110.2 154.3 16.7 93.0 6.8 46 50 A E T 3 S+ 0 0 11 -2,-0.3 70,-0.5 1,-0.3 3,-0.1 -0.322 119.8 31.3 -54.6 128.2 13.3 92.5 8.4 47 51 A G T 3 S+ 0 0 0 20,-0.5 67,-0.3 1,-0.4 -1,-0.3 0.014 89.4 126.7 107.6 -25.9 11.8 89.4 6.8 48 52 A H < - 0 0 5 -3,-2.3 19,-2.0 18,-0.1 -1,-0.4 -0.252 50.9-139.9 -60.1 150.1 15.1 87.6 6.2 49 53 A T E -EF 66 111B 6 62,-2.1 62,-2.0 17,-0.2 2,-0.3 -0.722 9.0-147.6-103.1 160.0 15.6 84.1 7.4 50 54 A C E -E 65 0B 0 15,-2.9 15,-2.5 -2,-0.3 2,-0.4 -0.892 12.2-128.2-119.7 159.1 18.7 82.7 9.0 51 55 A G E -EF 64 108B 0 57,-1.2 57,-1.6 -2,-0.3 2,-0.4 -0.871 15.3-158.6-103.3 141.0 20.0 79.2 8.8 52 56 A I E -EF 63 107B 0 11,-2.1 11,-1.9 -2,-0.4 55,-0.2 -0.983 7.6-149.2-116.4 131.1 21.0 77.2 11.9 53 57 A I > - 0 0 1 53,-2.1 3,-1.5 -2,-0.4 53,-0.4 -0.872 23.2-133.1-101.3 105.1 23.4 74.3 11.6 54 58 A P T 3 S- 0 0 1 0, 0.0 6,-0.3 0, 0.0 7,-0.3 -0.309 80.8 -3.2 -62.7 135.7 22.5 71.8 14.3 55 59 A Y T 3 S+ 0 0 127 1,-0.2 2,-0.1 37,-0.1 50,-0.1 0.711 88.0 178.2 58.6 24.9 25.4 70.4 16.3 56 60 A Y < 0 0 39 -3,-1.5 -1,-0.2 50,-0.1 48,-0.1 -0.365 360.0 360.0 -61.7 131.1 27.9 72.3 14.3 57 61 A N 0 0 150 -2,-0.1 -1,-0.1 49,-0.0 -2,-0.0 0.258 360.0 360.0 26.8 360.0 31.5 71.9 15.4 58 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 59 97 A Q 0 0 113 0, 0.0 271,-1.0 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 -17.8 26.0 66.4 9.1 60 98 A R + 0 0 104 -6,-0.3 2,-0.4 1,-0.2 271,-0.1 0.957 360.0 149.9 51.7 59.5 26.4 70.1 8.3 61 99 A a - 0 0 2 -7,-0.3 2,-0.3 268,-0.1 -1,-0.2 -0.987 32.6-148.2-124.7 127.0 22.8 70.6 7.3 62 100 A A - 0 0 35 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.677 4.9-156.2-100.2 151.6 21.1 74.0 7.8 63 101 A R E -E 52 0B 75 -11,-1.9 -11,-2.1 -2,-0.3 2,-0.3 -0.959 20.8-122.9-119.8 142.5 17.5 74.8 8.6 64 102 A L E +E 51 0B 108 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.609 28.2 179.5 -86.2 142.1 15.8 78.2 7.9 65 103 A Y E -E 50 0B 38 -15,-2.5 -15,-2.9 -2,-0.3 2,-0.2 -0.989 28.9-118.5-143.6 131.6 14.2 80.3 10.6 66 104 A S E -E 49 0B 11 -2,-0.3 13,-0.6 -17,-0.2 2,-0.4 -0.494 29.5-121.4 -70.7 133.5 12.5 83.6 10.2 67 105 A I B -G 78 0B 0 -19,-2.0 -20,-0.5 -2,-0.2 74,-0.3 -0.650 22.1-168.4 -79.6 126.4 14.1 86.4 12.2 68 106 A S + 0 0 0 9,-3.0 2,-0.3 -2,-0.4 10,-0.2 0.248 60.0 77.5-102.4 11.0 11.6 87.9 14.6 69 107 A S S S- 0 0 2 8,-0.5 2,-0.2 4,-0.1 72,-0.1 -0.800 78.2-111.3-119.0 159.5 13.6 91.0 15.6 70 108 A S > - 0 0 0 -2,-0.3 3,-1.9 -24,-0.1 72,-0.1 -0.603 30.5-109.6 -91.5 156.7 14.3 94.3 13.9 71 109 A N T 3 S+ 0 0 70 1,-0.3 -1,-0.1 -2,-0.2 -27,-0.1 0.735 113.3 60.5 -50.1 -34.0 17.7 95.5 12.5 72 110 A N T 3 S+ 0 0 109 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.654 82.8 100.0 -75.7 -18.3 18.2 98.1 15.2 73 111 A M S < S- 0 0 46 -3,-1.9 -4,-0.1 1,-0.1 77,-0.0 -0.456 72.7-135.3 -75.0 142.6 18.2 95.6 18.0 74 112 A E S S+ 0 0 159 -2,-0.1 -34,-0.4 -37,-0.0 -36,-0.4 0.949 89.4 36.2 -61.5 -53.6 21.5 94.4 19.5 75 113 A N S S- 0 0 18 -38,-0.1 2,-0.3 -36,-0.1 -38,-0.2 -0.581 80.4-133.6 -96.6 162.3 20.5 90.7 19.6 76 114 A L E -D 36 0B 0 -40,-2.6 -40,-4.0 -2,-0.2 2,-0.3 -0.767 18.1-156.1-112.1 163.5 18.5 88.8 17.1 77 115 A S E -D 35 0B 7 -2,-0.3 -9,-3.0 -42,-0.2 -8,-0.5 -0.970 11.1-176.3-141.7 155.4 15.6 86.4 17.7 78 116 A V E -DG 34 67B 0 -44,-1.2 -44,-2.4 -2,-0.3 2,-0.5 -0.951 21.8-132.6-143.5 157.5 13.8 83.5 16.1 79 117 A A E -D 33 0B 5 -13,-0.6 2,-0.6 -2,-0.3 -13,-0.2 -0.976 24.0-170.0-118.1 121.5 10.8 81.3 17.0 80 118 A I E -D 32 0B 1 -48,-2.8 -48,-2.2 -2,-0.5 2,-0.3 -0.923 13.1-149.9-121.3 111.5 11.3 77.6 16.6 81 119 A K E -D 31 0B 59 -2,-0.6 2,-0.8 -50,-0.2 -50,-0.3 -0.586 23.8-127.9 -70.1 134.2 8.6 75.0 16.8 82 120 A I - 0 0 6 -52,-3.4 2,-0.3 -2,-0.3 -52,-0.3 -0.788 21.6-144.9 -91.3 110.9 9.8 71.7 18.2 83 121 A H - 0 0 94 -2,-0.8 7,-2.0 -54,-0.1 2,-0.3 -0.587 20.6-175.8 -82.8 135.4 8.9 68.9 15.9 84 122 A K B H 89 0C 95 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.974 360.0 360.0-135.6 140.6 8.0 65.5 17.4 85 123 A Y 0 0 177 3,-2.4 3,-1.0 -2,-0.3 447,-0.1 -0.511 360.0 360.0-143.8 360.0 7.1 62.0 16.2 86 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 87 133 A T 0 0 118 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 144.9 9.5 60.4 21.6 88 134 A N - 0 0 93 -3,-1.0 -3,-2.4 0, 0.0 2,-0.3 -0.823 360.0-150.4-108.0 154.9 11.8 61.4 18.7 89 135 A Y B -H 84 0C 72 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.791 26.3 -91.7-119.2 163.0 12.4 64.9 17.5 90 136 A G > - 0 0 23 -7,-2.0 4,-3.6 -2,-0.3 5,-0.3 -0.300 48.5-105.0 -60.1 159.5 13.3 66.6 14.3 91 137 A Y H > S+ 0 0 63 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.969 122.2 28.8 -56.5 -60.8 17.0 67.0 13.7 92 138 A C H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.917 117.9 62.0 -65.7 -41.2 17.2 70.7 14.5 93 139 A S H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.930 105.2 45.2 -47.6 -54.2 14.2 70.3 16.8 94 140 A G H X S+ 0 0 8 -4,-3.6 4,-1.5 1,-0.2 -1,-0.2 0.890 113.3 52.4 -58.5 -39.9 16.1 68.0 19.1 95 141 A F H < S+ 0 0 26 -4,-1.5 4,-0.4 -5,-0.3 3,-0.3 0.935 110.3 45.1 -61.4 -50.3 19.1 70.3 18.9 96 142 A I H >< S+ 0 0 0 -4,-3.0 3,-0.6 1,-0.2 -1,-0.2 0.823 108.7 59.7 -64.2 -32.1 17.1 73.4 19.9 97 143 A K H 3< S+ 0 0 66 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.879 109.7 39.7 -64.0 -42.5 15.4 71.5 22.7 98 144 A N T 3< S+ 0 0 120 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.366 89.2 124.9 -93.7 4.5 18.6 70.6 24.5 99 145 A L < - 0 0 10 -3,-0.6 2,-0.3 -4,-0.4 -3,-0.1 -0.306 46.5-154.3 -57.7 146.8 20.2 74.0 23.9 100 146 A K > - 0 0 136 4,-0.1 3,-1.9 -82,-0.0 -84,-0.2 -0.885 29.7 -87.0-123.2 153.5 21.3 75.8 27.0 101 147 A I T 3 S+ 0 0 95 -2,-0.3 -84,-0.2 1,-0.3 3,-0.1 -0.398 116.7 21.7 -53.6 129.5 21.7 79.5 27.7 102 148 A N T 3 S+ 0 0 98 -86,-2.4 -1,-0.3 1,-0.3 2,-0.1 0.487 91.2 140.7 82.1 6.5 25.2 80.6 26.5 103 149 A D < - 0 0 55 -3,-1.9 -87,-1.9 1,-0.1 -1,-0.3 -0.477 58.3-103.4 -73.6 152.0 25.6 77.7 24.2 104 150 A D E -B 15 0B 59 -89,-0.2 2,-0.3 -2,-0.1 -89,-0.2 -0.459 38.3-175.8 -72.8 148.2 27.2 78.2 20.9 105 151 A I E -B 14 0B 0 -91,-2.2 -91,-3.1 -2,-0.1 2,-0.5 -0.966 15.2-142.8-149.6 133.9 25.0 78.4 17.8 106 152 A Y E -B 13 0B 19 -53,-0.4 -53,-2.1 -2,-0.3 2,-0.3 -0.864 17.7-170.2-109.1 122.1 26.1 78.7 14.2 107 153 A L E -BF 12 52B 0 -95,-2.2 -95,-2.5 -2,-0.5 2,-0.4 -0.757 15.3-137.3-109.3 152.8 24.1 80.8 11.6 108 154 A T E - F 0 51B 4 -57,-1.6 -57,-1.2 -2,-0.3 -101,-0.2 -0.914 43.0 -83.9-110.4 140.2 24.3 81.2 7.9 109 155 A G E - 0 0 1 -2,-0.4 -105,-0.2 -103,-0.3 -1,-0.1 0.204 68.3 -59.8 -42.7 152.7 24.1 84.6 6.2 110 156 A A E -a 3 0A 0 -67,-0.7 -106,-2.0 -108,-0.6 2,-0.3 0.110 58.6-167.8 -35.4 138.4 20.8 86.2 5.4 111 157 A H E + F 0 49B 38 -62,-2.0 -62,-2.1 -108,-0.2 -1,-0.1 -0.932 36.2 24.7-128.4 155.8 18.5 84.3 3.1 112 158 A G - 0 0 23 -2,-0.3 -64,-0.1 -64,-0.2 151,-0.0 -0.033 62.2-111.8 89.7 173.4 15.3 85.1 1.2 113 159 A Y + 0 0 171 -66,-0.1 2,-1.4 2,-0.1 -1,-0.1 -0.094 64.7 127.8-137.5 33.5 13.5 88.2 -0.2 114 160 A F + 0 0 6 -67,-0.3 2,-0.1 147,-0.1 147,-0.1 -0.387 45.9 136.3 -91.7 57.9 10.4 88.4 2.1 115 161 A N - 0 0 30 -2,-1.4 -68,-0.2 1,-0.1 3,-0.1 -0.434 58.8 -96.5-106.9 171.2 11.1 92.0 2.9 116 162 A L - 0 0 21 -70,-0.5 2,-0.1 -2,-0.1 -1,-0.1 -0.501 54.2 -88.9 -76.8 153.6 9.3 95.3 3.3 117 163 A P > - 0 0 30 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.491 45.2-115.9 -60.4 138.3 9.2 97.8 0.4 118 164 A N T 3 S+ 0 0 144 1,-0.3 3,-0.1 -2,-0.1 4,-0.1 0.539 111.3 43.1 -66.3 -6.8 12.3 99.9 0.9 119 165 A D T 3> S+ 0 0 52 1,-0.1 4,-2.6 2,-0.1 -1,-0.3 -0.129 73.5 128.0-124.2 38.7 10.4 103.1 1.4 120 166 A A H <>>S+ 0 0 0 -3,-1.7 5,-1.1 2,-0.2 4,-0.9 0.860 75.7 43.0 -64.4 -41.1 7.6 101.8 3.7 121 167 A I H 45S+ 0 0 56 2,-0.2 41,-0.2 3,-0.2 -1,-0.2 0.901 116.0 48.3 -73.5 -41.7 8.1 104.3 6.5 122 168 A Q H 45S+ 0 0 135 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.924 121.1 36.3 -59.8 -45.7 8.4 107.2 4.1 123 169 A K H <5S- 0 0 139 -4,-2.6 -1,-0.2 38,-0.0 -2,-0.2 0.549 96.3-136.1 -87.8 -9.5 5.3 106.2 2.1 124 170 A N T <5 - 0 0 53 -4,-0.9 40,-0.3 -5,-0.2 -3,-0.2 0.845 34.4-164.5 53.2 34.0 3.3 104.9 5.0 125 171 A T < - 0 0 32 -5,-1.1 2,-0.2 -6,-0.3 38,-0.2 -0.159 12.9-123.2 -54.1 140.8 2.5 101.9 2.8 126 172 A N - 0 0 32 103,-0.5 106,-2.6 104,-0.3 2,-0.4 -0.519 28.5-151.2 -86.0 155.1 -0.5 99.9 4.0 127 173 A F E -ij 165 232D 0 37,-2.2 39,-2.7 104,-0.3 2,-0.5 -0.954 23.5-163.4-134.6 146.7 -0.1 96.1 4.7 128 174 A I E -ij 166 233D 0 104,-2.1 106,-2.8 -2,-0.4 2,-0.5 -0.986 20.0-171.7-119.1 115.3 -2.0 92.9 4.7 129 175 A F E -ij 167 234D 0 37,-3.1 39,-3.1 -2,-0.5 2,-0.4 -0.949 2.3-175.2-109.0 121.2 -0.1 90.2 6.7 130 176 A I E +ij 168 235D 0 104,-1.7 106,-2.6 -2,-0.5 2,-0.3 -0.963 16.2 158.6-116.9 130.7 -1.4 86.7 6.5 131 177 A A E -ij 169 236D 0 37,-3.0 39,-2.6 -2,-0.4 2,-0.3 -0.959 29.2-160.8-147.8 160.7 0.1 83.9 8.7 132 178 A T E > -i 170 0D 18 104,-1.5 3,-2.5 -2,-0.3 39,-0.2 -0.984 66.6 -30.9-138.7 145.8 -0.1 80.5 10.3 133 179 A G G > S- 0 0 33 37,-1.8 3,-1.1 -2,-0.3 45,-0.2 -0.179 134.3 -1.5 51.8-131.5 2.0 79.2 13.2 134 180 A T G > S+ 0 0 27 1,-0.3 3,-1.9 2,-0.1 -1,-0.3 0.527 110.8 97.2 -67.9 -4.7 5.6 80.5 13.2 135 181 A G G < + 0 0 0 -3,-2.5 4,-0.4 1,-0.3 -1,-0.3 0.557 69.0 70.6 -61.1 -6.7 4.6 82.4 10.0 136 182 A I G X> S+ 0 0 0 -3,-1.1 4,-1.9 1,-0.2 3,-0.6 0.725 74.5 87.7 -83.0 -20.9 4.0 85.4 12.2 137 183 A S H <> S+ 0 0 2 -3,-1.9 4,-2.0 1,-0.3 3,-0.2 0.851 86.8 45.9 -47.5 -53.2 7.7 85.9 12.9 138 184 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.859 111.0 54.3 -63.9 -33.0 8.6 88.1 9.9 139 185 A Y H <> S+ 0 0 1 -3,-0.6 4,-2.7 -4,-0.4 -2,-0.2 0.845 105.6 53.2 -67.3 -34.1 5.5 90.3 10.6 140 186 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.915 109.3 48.1 -65.2 -42.3 6.8 90.8 14.2 141 187 A S H X S+ 0 0 0 -4,-2.0 4,-1.3 -74,-0.3 -2,-0.2 0.870 111.5 52.0 -63.6 -36.3 10.1 91.9 12.7 142 188 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.933 111.6 44.7 -62.6 -49.2 8.1 94.2 10.4 143 189 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 6,-0.3 0.878 107.8 57.8 -64.6 -40.9 6.1 95.8 13.2 144 190 A K H <>S+ 0 0 12 -4,-2.4 5,-1.9 1,-0.2 -1,-0.2 0.854 114.2 40.2 -59.4 -34.6 9.2 96.2 15.4 145 191 A K H ><5S+ 0 0 69 -4,-1.3 3,-1.3 3,-0.2 -2,-0.2 0.953 116.9 45.6 -76.9 -54.1 10.7 98.3 12.6 146 192 A L H 3<5S+ 0 0 4 -4,-2.8 15,-0.6 1,-0.3 14,-0.4 0.856 122.1 37.1 -60.2 -38.2 7.6 100.3 11.5 147 193 A F T 3<5S- 0 0 2 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.240 105.8-123.3-101.3 13.3 6.6 101.1 15.1 148 194 A A T < 5 - 0 0 39 -3,-1.3 -3,-0.2 1,-0.1 -4,-0.1 0.907 38.9-160.9 45.0 54.6 10.1 101.6 16.5 149 195 A Y < + 0 0 24 -5,-1.9 2,-0.3 -6,-0.3 -1,-0.1 -0.323 18.0 177.7 -67.0 144.7 9.5 99.0 19.2 150 196 A D > - 0 0 55 6,-0.1 3,-1.5 1,-0.1 6,-0.2 -0.866 21.1-159.5-152.2 112.5 11.8 98.9 22.2 151 197 A K G > S+ 0 0 132 -2,-0.3 3,-0.6 1,-0.3 -1,-0.1 0.837 98.1 48.6 -62.4 -33.8 11.2 96.4 25.1 152 198 A N G 3 S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.398 121.8 34.8 -87.5 2.5 13.2 98.6 27.5 153 199 A N G X + 0 0 62 -3,-1.5 3,-1.1 3,-0.1 -1,-0.2 -0.125 67.6 141.6-148.2 43.0 11.3 101.8 26.5 154 200 A L T < + 0 0 53 -3,-0.6 -3,-0.1 1,-0.3 -2,-0.1 0.720 61.9 73.7 -62.2 -23.9 7.7 100.6 25.8 155 201 A Y T 3 S+ 0 0 183 -3,-0.0 2,-0.3 -5,-0.0 -1,-0.3 0.198 90.7 67.7 -82.8 18.0 6.2 103.8 27.3 156 202 A N < - 0 0 57 -3,-1.1 2,-0.3 -6,-0.2 -6,-0.1 -0.983 67.7-138.1-140.2 153.3 7.2 106.1 24.4 157 203 A R + 0 0 139 -2,-0.3 -9,-0.1 1,-0.1 -8,-0.0 -0.875 29.4 157.3-157.4 114.7 6.3 106.6 20.8 158 204 A N + 0 0 90 -2,-0.3 2,-0.5 -10,-0.1 -1,-0.1 -0.865 28.2 131.8 108.1 -25.7 8.4 107.1 18.7 159 205 A S + 0 0 28 1,-0.1 -12,-0.1 2,-0.1 -13,-0.1 -0.890 26.7 179.1-108.0 132.4 6.6 106.0 15.5 160 206 A N + 0 0 135 -2,-0.5 2,-0.5 -14,-0.4 -1,-0.1 0.324 55.4 109.3-102.9 2.4 6.4 108.0 12.3 161 207 A Y + 0 0 3 -15,-0.6 -40,-0.1 1,-0.1 -39,-0.1 -0.703 34.6 167.8 -85.4 124.7 4.5 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-1,-0.2 0.965 112.6 37.8 -52.8 -55.1 2.8 90.0 24.2 182 228 A E H > S+ 0 0 30 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.926 116.7 51.2 -62.0 -49.9 4.0 92.1 21.2 183 229 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.915 113.1 44.8 -57.0 -46.5 0.8 91.6 19.2 184 230 A E H X S+ 0 0 114 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.870 113.1 53.4 -67.8 -34.5 -1.4 92.7 22.1 185 231 A Y H >X S+ 0 0 41 -4,-2.0 4,-2.9 -5,-0.3 3,-0.7 0.973 109.8 44.4 -61.7 -57.3 1.0 95.6 22.8 186 232 A F H 3X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.870 112.0 55.6 -55.6 -38.1 1.0 97.0 19.2 187 233 A Q H 3< S+ 0 0 61 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.824 113.7 39.8 -64.0 -34.4 -2.8 96.6 19.2 188 234 A K H << S+ 0 0 177 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.2 0.863 119.3 44.4 -83.9 -40.1 -3.2 98.7 22.4 189 235 A M H < S+ 0 0 50 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.799 127.2 27.0 -75.5 -32.3 -0.5 101.3 21.5 190 236 A Y >X + 0 0 5 -4,-2.5 3,-1.2 -5,-0.3 4,-1.1 -0.503 64.8 154.1-133.8 65.4 -1.6 101.8 17.9 191 237 A P T 34 S+ 0 0 78 0, 0.0 -1,-0.1 0, 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247 A S G > S+ 0 0 37 -30,-1.7 3,-1.4 -2,-0.5 -29,-0.2 0.670 84.3 76.1 -74.1 -17.6 -8.5 75.7 14.1 202 248 A Y G 3 S+ 0 0 95 -30,-2.1 -1,-0.2 -31,-0.3 -29,-0.1 0.801 75.5 77.1 -66.1 -27.5 -9.8 74.2 17.4 203 249 A K G < S+ 0 0 129 -3,-0.8 2,-0.3 -31,-0.3 -1,-0.3 0.744 83.6 82.6 -53.9 -22.9 -13.3 75.5 16.7 204 250 A Q < 0 0 58 -3,-1.4 4,-0.1 -4,-0.1 -3,-0.0 -0.659 360.0 360.0 -93.7 145.2 -13.7 72.6 14.2 205 251 A N 0 0 79 -2,-0.3 -2,-0.1 2,-0.3 -3,-0.1 -0.593 360.0 360.0 68.7 360.0 -14.6 69.1 15.4 206 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 207 255 A T 0 0 79 0, 0.0 2,-0.3 0, 0.0 -2,-0.3 0.000 360.0 360.0 360.0 129.4 -16.1 71.4 8.1 208 256 A S B -M 477 0E 2 269,-2.2 269,-2.5 -4,-0.1 2,-0.4 -0.816 360.0-165.5 -97.9 148.0 -12.6 72.7 8.4 209 257 A F + 0 0 50 -2,-0.3 2,-0.1 267,-0.2 -5,-0.1 -0.903 16.5 163.8-140.3 110.1 -12.2 76.5 8.7 210 258 A Y > - 0 0 55 -2,-0.4 4,-1.4 -40,-0.0 3,-0.3 -0.456 54.4 -78.5-118.9-173.4 -8.8 78.2 8.3 211 259 A V H > S+ 0 0 1 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