==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-FEB-08 2VNK . COMPND 2 MOLECULE: NADPH\:FERREDOXIN REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS; . AUTHOR I.PEREZ-DORADO,J.A.HERMOSO . 1022 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 671 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 13.5 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 . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 44 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 4 0 12 8 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 0 0 4 4 8 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 4 4 0 0 4 8 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 . 0 4 0 4 0 4 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 16 A P 0 0 109 0, 0.0 88,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 124.6 47.6 11.0 41.7 2 17 A D + 0 0 77 1,-0.2 87,-2.7 86,-0.2 2,-0.3 0.887 360.0 178.8 43.7 46.2 44.8 8.8 40.4 3 18 A A E -A 88 0A 36 85,-0.2 2,-0.3 83,-0.1 85,-0.2 -0.614 16.9-179.0 -87.0 139.3 42.8 12.0 40.0 4 19 A Q E -A 87 0A 25 83,-2.1 83,-2.0 -2,-0.3 2,-0.4 -0.926 24.6-118.3-130.6 157.3 39.3 12.1 38.6 5 20 A T E -A 86 0A 41 -2,-0.3 17,-2.1 81,-0.2 2,-0.3 -0.821 18.9-118.4-108.7 138.3 37.1 15.2 38.1 6 21 A V E +E 21 0B 2 79,-3.0 78,-2.6 -2,-0.4 15,-0.3 -0.550 29.2 176.9 -72.0 124.3 33.8 16.1 39.7 7 22 A T E + 0 0 47 13,-2.8 2,-0.3 1,-0.4 14,-0.2 0.626 65.5 1.9-104.4 -23.6 31.1 16.4 37.0 8 23 A S E -E 20 0B 45 12,-1.3 12,-2.4 74,-0.1 2,-0.4 -0.957 56.5-159.4-159.7 155.3 28.1 17.1 39.2 9 24 A V E -E 19 0B 26 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.992 6.5-172.0-135.1 141.9 27.1 17.5 42.9 10 25 A R E -E 18 0B 33 8,-3.3 8,-3.4 -2,-0.4 2,-0.4 -0.980 10.4-152.4-139.2 124.1 23.8 17.1 44.6 11 26 A H E +E 17 0B 20 -2,-0.4 6,-0.2 6,-0.3 909,-0.1 -0.808 17.4 170.8 -95.8 131.4 22.9 18.0 48.2 12 27 A W E - 0 0 15 4,-2.2 773,-0.3 -2,-0.4 2,-0.3 0.805 66.3 -17.6-106.1 -47.9 20.1 16.0 49.9 13 28 A T E > S-E 16 0B 18 3,-1.8 3,-0.9 771,-0.1 -1,-0.4 -0.858 78.4 -83.4-142.7-177.1 20.3 17.1 53.5 14 29 A D T 3 S+ 0 0 91 -2,-0.3 939,-0.2 1,-0.2 3,-0.1 0.464 132.0 35.7 -71.5 -1.1 22.8 18.8 55.9 15 30 A T T 3 S+ 0 0 40 1,-0.1 53,-1.5 52,-0.1 2,-0.4 0.280 114.6 60.4-126.1 6.0 24.3 15.3 56.4 16 31 A L E < +EF 13 67B 4 -3,-0.9 -4,-2.2 51,-0.2 -3,-1.8 -0.994 48.7 152.9-143.0 131.9 24.0 13.8 52.9 17 32 A F E -EF 11 66B 0 49,-2.3 49,-3.2 -2,-0.4 2,-0.3 -0.983 21.9-149.4-147.9 154.6 25.1 14.6 49.4 18 33 A S E +EF 10 65B 9 -8,-3.4 -8,-3.3 -2,-0.3 2,-0.3 -0.893 16.2 177.9-116.8 159.2 25.9 12.7 46.2 19 34 A F E -EF 9 64B 2 45,-2.3 45,-2.6 -2,-0.3 2,-0.4 -0.977 17.9-140.1-150.2 163.6 28.3 13.4 43.4 20 35 A R E -EF 8 63B 43 -12,-2.4 -13,-2.8 -2,-0.3 -12,-1.3 -0.971 17.9-176.0-125.2 144.5 29.6 12.1 40.2 21 36 A V E -EF 6 62B 0 41,-2.5 41,-2.5 -2,-0.4 -15,-0.2 -0.916 36.4 -83.3-131.6 162.9 33.2 12.0 38.8 22 37 A T E - F 0 61B 48 -17,-2.1 39,-0.2 -2,-0.3 -1,-0.0 -0.260 47.0-123.2 -60.1 151.0 35.0 10.9 35.6 23 38 A R - 0 0 45 37,-0.7 -1,-0.1 -19,-0.1 2,-0.1 -0.838 20.8-110.1-101.0 134.6 35.8 7.2 35.3 24 39 A P > - 0 0 7 0, 0.0 3,-1.4 0, 0.0 -20,-0.0 -0.404 30.4-126.8 -57.5 133.1 39.3 5.8 34.8 25 40 A Q T 3 S+ 0 0 163 1,-0.3 -2,-0.0 -2,-0.1 -3,-0.0 0.752 106.6 43.1 -56.5 -29.7 39.3 4.4 31.3 26 41 A T T 3 S+ 0 0 110 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.429 82.7 126.1-100.3 0.8 40.6 1.0 32.4 27 42 A L < + 0 0 4 -3,-1.4 2,-0.4 65,-0.0 65,-0.1 -0.432 33.0 178.5 -62.3 125.0 38.3 0.6 35.5 28 43 A R + 0 0 184 -2,-0.2 2,-0.3 63,-0.2 -2,-0.0 -1.000 12.0 155.2-126.9 131.1 36.3 -2.6 35.4 29 44 A F - 0 0 20 -2,-0.4 2,-0.4 28,-0.1 65,-0.0 -0.952 39.1-119.6-151.7 164.2 34.0 -3.4 38.3 30 45 A R > - 0 0 87 -2,-0.3 3,-2.1 26,-0.0 93,-0.1 -0.921 46.4 -96.0-107.4 135.9 31.0 -5.4 39.3 31 46 A S T 3 S+ 0 0 5 -2,-0.4 68,-0.4 1,-0.2 3,-0.1 -0.261 112.2 37.0 -49.4 127.0 27.9 -3.5 40.7 32 47 A G T 3 S+ 0 0 0 21,-0.5 65,-0.4 1,-0.4 -1,-0.2 0.089 89.2 122.2 110.7 -15.8 28.1 -3.5 44.5 33 48 A E < - 0 0 12 -3,-2.1 20,-2.2 63,-0.1 -1,-0.4 -0.287 48.7-143.0 -76.6 158.6 31.8 -3.2 44.8 34 49 A F E -BC 52 94A 53 60,-3.0 60,-2.0 18,-0.3 2,-0.3 -0.828 10.9-166.4-116.6 159.2 33.7 -0.4 46.7 35 50 A V E -B 51 0A 1 16,-2.3 16,-2.5 -2,-0.3 2,-0.5 -0.908 30.1-100.6-132.0 168.0 36.9 1.6 46.1 36 51 A M E +B 50 0A 72 54,-0.4 54,-2.7 -2,-0.3 2,-0.3 -0.787 41.4 176.7 -87.7 127.5 39.1 3.9 48.1 37 52 A I E +BD 49 89A 1 12,-2.8 12,-2.8 -2,-0.5 2,-0.3 -0.863 7.4 158.3-119.9 165.7 38.7 7.7 47.4 38 53 A G E -BD 48 88A 1 50,-1.7 50,-2.6 -2,-0.3 2,-0.3 -0.983 30.7-136.4-167.9 175.0 40.3 10.6 49.1 39 54 A L E -B 47 0A 29 8,-1.2 8,-2.5 -2,-0.3 2,-0.3 -0.933 39.3 -96.8-135.1 164.7 41.5 14.2 49.3 40 55 A L E -B 46 0A 91 -2,-0.3 2,-0.0 6,-0.2 -2,-0.0 -0.649 35.2-137.5 -84.2 140.1 44.8 15.8 50.5 41 56 A D > - 0 0 43 4,-2.8 3,-1.9 -2,-0.3 -1,-0.1 -0.138 41.4 -79.8 -81.5-174.1 44.9 17.1 54.1 42 57 A D T 3 S+ 0 0 140 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.626 132.2 50.6 -67.7 -15.7 46.6 20.4 55.1 43 58 A N T 3 S- 0 0 132 2,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.298 121.0-104.5-102.3 5.6 50.0 18.7 55.0 44 59 A G S < S+ 0 0 45 -3,-1.9 -2,-0.1 1,-0.3 -4,-0.0 0.649 78.5 134.2 79.9 15.5 49.5 17.3 51.5 45 60 A K - 0 0 128 1,-0.1 -4,-2.8 -6,-0.0 -1,-0.3 -0.783 61.2-104.3 -95.4 141.0 49.0 13.7 52.8 46 61 A P E -B 40 0A 64 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.335 19.7-154.6 -65.9 142.3 46.1 11.6 51.4 47 62 A I E -B 39 0A 13 -8,-2.5 -8,-1.2 26,-0.1 2,-0.4 -0.962 25.3-168.7-111.2 104.9 43.0 11.1 53.5 48 63 A M E +B 38 0A 41 -2,-0.6 2,-0.3 -10,-0.2 -10,-0.2 -0.832 13.3 170.9-107.4 139.8 41.6 7.8 52.1 49 64 A R E -B 37 0A 103 -12,-2.8 -12,-2.8 -2,-0.4 2,-0.2 -0.995 34.3-111.7-143.9 142.0 38.2 6.3 52.8 50 65 A A E +B 36 0A 58 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.554 37.1 178.1 -72.3 135.7 36.2 3.3 51.3 51 66 A Y E -B 35 0A 27 -16,-2.5 -16,-2.3 -2,-0.2 2,-0.1 -0.990 28.2-125.0-138.8 131.4 33.1 4.2 49.3 52 67 A S E -B 34 0A 19 -2,-0.3 2,-0.7 -18,-0.3 13,-0.4 -0.467 33.2-115.0 -65.8 144.0 30.7 2.0 47.4 53 68 A I - 0 0 0 -20,-2.2 -21,-0.5 1,-0.1 11,-0.2 -0.792 27.2-163.5 -83.6 121.1 30.3 3.0 43.9 54 69 A A + 0 0 0 9,-2.5 10,-0.2 -2,-0.7 -1,-0.1 0.507 64.8 79.8 -86.1 -11.9 26.7 4.1 43.7 55 70 A S S S- 0 0 0 8,-0.7 -23,-0.3 1,-0.1 67,-0.2 -0.709 88.7-105.7 -95.2 148.6 26.5 3.9 39.9 56 71 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 67,-0.1 -0.326 35.0-102.5 -70.4 158.7 26.0 0.6 38.0 57 72 A A T 3 S+ 0 0 23 1,-0.3 -28,-0.1 65,-0.1 69,-0.1 0.733 119.3 56.8 -54.9 -27.5 28.9 -1.0 36.2 58 73 A W T 3 S+ 0 0 54 2,-0.0 -1,-0.3 363,-0.0 2,-0.1 0.698 81.4 109.0 -77.3 -18.3 27.6 0.2 32.7 59 74 A D < - 0 0 14 -3,-1.8 -4,-0.1 1,-0.1 4,-0.0 -0.359 65.1-143.1 -71.5 137.1 27.6 3.9 33.7 60 75 A E S S+ 0 0 135 -2,-0.1 -37,-0.7 2,-0.0 2,-0.3 0.595 85.8 46.1 -78.7 -14.8 30.3 6.1 32.1 61 76 A E E S-F 22 0B 52 -39,-0.2 2,-0.5 -54,-0.0 -39,-0.2 -0.845 86.7-118.0-118.0 165.9 30.8 8.2 35.2 62 77 A L E -F 21 0B 0 -41,-2.5 -41,-2.5 -2,-0.3 2,-0.3 -0.911 25.7-157.6-107.5 124.1 31.1 7.0 38.8 63 78 A E E -F 20 0B 20 -2,-0.5 -9,-2.5 -43,-0.2 -8,-0.7 -0.770 7.2-169.9 -99.9 147.3 28.5 8.1 41.4 64 79 A F E -F 19 0B 0 -45,-2.6 -45,-2.3 -2,-0.3 2,-0.5 -0.991 13.4-153.9-135.7 143.0 29.0 8.3 45.2 65 80 A Y E -F 18 0B 7 -13,-0.4 2,-0.4 -2,-0.3 -47,-0.2 -0.985 28.9-170.1-117.6 117.9 26.5 8.9 48.0 66 81 A S E -F 17 0B 0 -49,-3.2 -49,-2.3 -2,-0.5 2,-0.1 -0.887 24.5-135.1-123.9 143.7 28.2 10.4 51.0 67 82 A I E -F 16 0B 45 -2,-0.4 2,-0.5 -51,-0.2 -51,-0.2 -0.397 22.1-136.1 -72.7 159.1 27.6 11.3 54.7 68 83 A K - 0 0 4 -53,-1.5 8,-0.1 -2,-0.1 -52,-0.0 -0.970 21.1-172.4-118.6 109.1 28.7 14.7 56.0 69 84 A V > - 0 0 30 -2,-0.5 3,-2.1 3,-0.1 2,-0.3 -0.918 23.7-132.0-100.7 119.1 30.5 14.4 59.3 70 85 A P T 3 S+ 0 0 92 0, 0.0 5,-0.0 0, 0.0 6,-0.0 -0.593 100.4 12.5 -69.5 126.0 31.2 17.7 61.0 71 86 A D T 3 S+ 0 0 143 -2,-0.3 3,-0.0 1,-0.3 6,-0.0 0.406 93.2 140.9 80.2 0.8 34.9 17.4 62.0 72 87 A G <> - 0 0 9 -3,-2.1 4,-2.6 1,-0.1 5,-0.4 -0.644 55.2-135.3 -71.4 121.4 35.2 14.2 59.8 73 88 A P T 4 S+ 0 0 65 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.862 98.2 28.4 -48.9 -45.8 38.7 14.5 58.2 74 89 A L T >> S+ 0 0 3 2,-0.1 4,-2.7 3,-0.1 3,-0.9 0.956 126.1 40.3 -79.5 -55.1 37.4 13.5 54.7 75 90 A T H 3> S+ 0 0 10 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.736 101.8 67.3 -78.3 -20.7 33.8 14.6 54.6 76 91 A S H 3< S+ 0 0 30 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.1 0.829 118.3 29.8 -60.3 -29.9 34.3 17.9 56.4 77 92 A R H X4 S+ 0 0 77 -3,-0.9 3,-1.8 -5,-0.4 -2,-0.2 0.842 116.3 56.9 -91.0 -45.4 36.2 18.8 53.2 78 93 A L H >< S+ 0 0 1 -4,-2.7 3,-1.9 1,-0.3 -3,-0.2 0.798 93.7 68.6 -65.5 -30.6 34.4 16.6 50.6 79 94 A Q T 3< S+ 0 0 22 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.655 99.6 52.2 -59.7 -18.9 31.0 18.2 51.4 80 95 A H T < S+ 0 0 55 -3,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.272 80.3 131.9 -99.5 7.2 32.3 21.4 49.8 81 96 A I < - 0 0 11 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.285 39.2-157.2 -69.0 150.5 33.5 20.0 46.6 82 97 A K > - 0 0 77 4,-0.1 3,-2.1 1,-0.1 -76,-0.3 -0.853 30.6 -82.5-124.5 156.1 32.6 21.7 43.3 83 98 A V T 3 S+ 0 0 93 -2,-0.3 -76,-0.2 1,-0.2 3,-0.1 -0.325 118.1 29.8 -51.7 135.0 32.3 20.7 39.7 84 99 A G T 3 S+ 0 0 51 -78,-2.6 -1,-0.2 1,-0.4 2,-0.1 0.137 96.3 109.3 93.5 -18.7 35.7 20.8 38.1 85 100 A E < - 0 0 96 -3,-2.1 -79,-3.0 -79,-0.1 -1,-0.4 -0.373 62.8-124.7 -81.1 169.6 37.6 20.0 41.3 86 101 A Q E -A 5 0A 104 -81,-0.2 2,-0.3 -2,-0.1 -81,-0.2 -0.811 18.0-164.7-124.2 153.4 39.3 16.6 41.8 87 102 A I E -A 4 0A 3 -83,-2.0 -83,-2.1 -2,-0.3 2,-0.4 -0.864 31.4-109.8-121.9 163.9 39.3 13.6 44.1 88 103 A I E -AD 3 38A 10 -50,-2.6 -50,-1.7 -2,-0.3 2,-0.4 -0.801 37.6-174.6 -86.2 136.5 41.8 10.8 44.5 89 104 A L E - D 0 37A 1 -87,-2.7 -52,-0.2 -2,-0.4 -2,-0.0 -0.940 18.2-151.6-139.7 116.6 40.3 7.5 43.2 90 105 A R - 0 0 77 -54,-2.7 2,-1.8 -2,-0.4 -54,-0.4 -0.783 13.2-146.9 -82.4 114.7 42.0 4.1 43.5 91 106 A P + 0 0 32 0, 0.0 -63,-0.2 0, 0.0 -1,-0.1 -0.319 64.6 110.9 -81.0 58.6 40.7 2.0 40.6 92 107 A K - 0 0 157 -2,-1.8 -56,-0.2 -56,-0.1 2,-0.2 -0.813 53.3-163.6-132.5 80.4 40.9 -1.3 42.6 93 108 A P + 0 0 29 0, 0.0 2,-0.3 0, 0.0 -58,-0.2 -0.491 19.3 154.4 -74.3 144.7 37.3 -2.4 43.2 94 109 A V B +C 34 0A 72 -60,-2.0 -60,-3.0 -2,-0.2 2,-0.1 -0.907 6.9 108.2-153.7 175.7 36.6 -5.1 45.9 95 110 A G - 0 0 24 -2,-0.3 -62,-0.1 -62,-0.2 154,-0.1 -0.366 58.2-108.8 126.1 158.3 33.8 -6.3 48.2 96 111 A T S S+ 0 0 30 152,-0.2 2,-1.8 1,-0.1 144,-0.1 0.410 85.5 99.2-102.0 -1.1 31.4 -9.1 48.8 97 112 A L + 0 0 0 -65,-0.4 2,-0.4 -3,-0.1 -1,-0.1 -0.412 61.1 117.1 -79.7 63.6 28.1 -7.3 47.8 98 113 A V S > S- 0 0 1 -2,-1.8 3,-2.0 -66,-0.1 142,-0.1 -0.974 75.0-122.4-135.5 146.6 28.1 -8.8 44.4 99 114 A I G > S+ 0 0 13 -68,-0.4 3,-1.6 -2,-0.4 -1,-0.1 0.805 109.9 62.8 -55.9 -34.5 25.7 -11.2 42.6 100 115 A D G 3 S+ 0 0 83 1,-0.3 -1,-0.3 -3,-0.0 139,-0.1 0.663 93.1 65.1 -64.2 -20.8 28.5 -13.7 42.0 101 116 A A G < S+ 0 0 0 -3,-2.0 143,-0.6 -5,-0.1 2,-0.3 0.339 96.7 68.4 -87.9 6.7 28.9 -14.1 45.8 102 117 A L B < S-g 244 0C 8 -3,-1.6 143,-0.2 141,-0.2 3,-0.1 -0.938 89.4-107.9-122.6 147.0 25.4 -15.6 46.1 103 118 A L - 0 0 58 141,-2.8 141,-0.1 -2,-0.3 -2,-0.1 -0.438 52.3 -92.8 -60.3 145.1 24.0 -18.9 44.9 104 119 A P + 0 0 109 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.270 63.8 151.3 -57.5 149.8 21.6 -18.4 42.0 105 120 A G - 0 0 12 27,-0.4 107,-0.2 -3,-0.1 106,-0.1 -0.799 53.1-102.7-157.8-161.6 17.9 -18.0 43.1 106 121 A K S S+ 0 0 108 105,-2.3 28,-2.3 1,-0.3 29,-0.9 0.608 96.2 39.9-113.8 -26.5 14.6 -16.4 42.3 107 122 A R E -hi 135 212D 18 104,-2.1 106,-2.5 26,-0.2 2,-0.5 -0.997 61.2-160.3-134.2 141.9 14.4 -13.4 44.7 108 123 A L E -hi 136 213D 0 27,-2.4 29,-2.6 -2,-0.4 2,-0.4 -0.965 7.5-160.9-125.6 122.3 17.1 -10.9 45.7 109 124 A W E -hi 137 214D 0 104,-2.9 106,-2.3 -2,-0.5 2,-0.5 -0.894 5.3-163.1-108.7 133.4 16.8 -8.8 48.8 110 125 A F E -hi 138 215D 0 27,-3.2 29,-2.7 -2,-0.4 2,-0.6 -0.974 10.3-171.1-111.4 120.7 18.8 -5.6 49.5 111 126 A L E +hi 139 216D 0 104,-2.7 106,-2.5 -2,-0.5 2,-0.3 -0.931 18.9 159.1-122.0 109.7 18.7 -4.7 53.2 112 127 A A E -hi 140 217D 0 27,-2.6 29,-2.1 -2,-0.6 2,-0.4 -0.942 29.0-161.1-138.5 148.9 20.1 -1.3 54.0 113 128 A T E > -h 141 0D 38 104,-1.6 3,-2.2 -2,-0.3 29,-0.2 -0.989 63.7 -32.9-127.3 141.6 20.3 1.5 56.4 114 129 A G G > S- 0 0 16 27,-1.2 3,-1.4 -2,-0.4 4,-0.1 -0.222 132.2 -3.7 57.9-133.9 21.4 5.1 55.9 115 130 A T G > S+ 0 0 31 1,-0.3 3,-2.1 2,-0.1 -1,-0.3 0.526 112.9 93.7 -69.9 -6.2 24.2 5.4 53.3 116 131 A G G < + 0 0 0 -3,-2.2 4,-0.3 1,-0.3 -1,-0.3 0.539 67.6 75.3 -59.2 -8.2 24.2 1.6 53.1 117 132 A I G X> S+ 0 0 0 -3,-1.4 4,-1.8 1,-0.2 3,-1.2 0.745 72.4 91.0 -72.6 -19.8 21.8 2.1 50.2 118 133 A A H <> S+ 0 0 6 -3,-2.1 4,-1.1 1,-0.3 3,-0.5 0.841 84.8 44.3 -43.4 -56.6 24.9 3.1 48.2 119 134 A P H 3> S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.797 114.7 52.5 -64.0 -22.7 25.9 -0.4 46.8 120 135 A F H <> S+ 0 0 0 -3,-1.2 4,-2.6 -4,-0.3 -2,-0.2 0.734 96.3 64.3 -88.1 -18.1 22.2 -0.9 46.1 121 136 A A H < S+ 0 0 0 -4,-1.8 4,-0.3 -3,-0.5 -1,-0.2 0.834 111.7 40.7 -61.1 -32.6 21.9 2.3 44.1 122 137 A S H >< S+ 0 0 0 -4,-1.1 3,-1.3 -5,-0.3 -2,-0.2 0.954 117.4 45.2 -76.1 -56.0 24.4 0.5 41.8 123 138 A L H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 6,-0.3 0.795 105.5 59.5 -64.2 -32.7 22.7 -2.9 42.0 124 139 A M T 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.699 110.5 45.4 -66.8 -20.4 19.2 -1.6 41.5 125 140 A R T < S+ 0 0 51 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.154 90.7 108.4-103.0 12.4 20.5 -0.2 38.2 126 141 A E X> - 0 0 22 -3,-1.6 3,-1.4 1,-0.1 4,-0.8 -0.837 61.6-149.8 -95.0 117.0 22.3 -3.4 37.3 127 142 A P H >> S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 3,-0.8 0.863 94.9 65.6 -50.1 -40.8 20.8 -5.5 34.4 128 143 A E H 3> S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.819 92.3 60.7 -52.0 -38.2 22.1 -8.7 35.9 129 144 A A H <> S+ 0 0 0 -3,-1.4 4,-0.7 -6,-0.3 -1,-0.2 0.895 113.3 36.8 -58.9 -38.9 19.9 -8.3 39.0 130 145 A Y H << S+ 0 0 20 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.2 0.730 115.1 54.4 -86.8 -24.3 16.8 -8.5 36.7 131 146 A E H < S+ 0 0 134 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.847 119.0 32.8 -74.7 -35.3 18.2 -11.1 34.3 132 147 A K H < S+ 0 0 113 -4,-2.2 -27,-0.4 -5,-0.2 2,-0.3 0.531 119.3 52.0-102.1 -10.5 19.0 -13.6 37.1 133 148 A F < - 0 0 4 -4,-0.7 -26,-0.2 -5,-0.2 -27,-0.1 -0.952 58.6-152.6-130.5 150.8 16.2 -12.8 39.5 134 149 A D S S+ 0 0 89 -28,-2.3 2,-0.3 -2,-0.3 -27,-0.2 0.568 88.1 25.1 -93.0 -13.3 12.4 -12.6 39.2 135 150 A E E -h 107 0D 40 -29,-0.9 -27,-2.4 -6,-0.2 2,-0.4 -0.971 60.3-165.1-155.1 133.2 12.0 -10.1 42.1 136 151 A V E -hj 108 172D 0 35,-2.5 37,-2.9 -2,-0.3 2,-0.5 -0.996 12.3-162.7-123.9 121.0 14.3 -7.6 43.7 137 152 A I E -hj 109 173D 0 -29,-2.6 -27,-3.2 -2,-0.4 2,-0.7 -0.926 1.7-165.0-111.3 119.4 13.2 -6.2 47.1 138 153 A M E -hj 110 174D 0 35,-3.0 37,-3.1 -2,-0.5 2,-0.6 -0.889 6.1-176.9-108.9 104.7 14.8 -3.0 48.4 139 154 A M E +hj 111 175D 1 -29,-2.7 -27,-2.6 -2,-0.7 2,-0.4 -0.909 6.7 176.2 -98.9 119.6 14.3 -2.4 52.1 140 155 A H E -hj 112 176D 0 35,-1.4 37,-2.6 -2,-0.6 2,-0.4 -0.985 5.7-173.7-128.2 118.0 15.8 1.0 53.2 141 156 A A E +hj 113 177D 4 -29,-2.1 -27,-1.2 -2,-0.4 2,-0.3 -0.957 10.9 162.8-114.9 129.4 15.4 2.2 56.7 142 157 A C E - j 0 178D 3 35,-2.1 37,-1.4 -2,-0.4 38,-0.3 -0.890 46.9-115.1-134.6 165.4 16.5 5.6 57.9 143 158 A R S S+ 0 0 86 -2,-0.3 38,-2.0 35,-0.2 37,-1.5 0.920 96.7 30.4 -64.7 -42.5 15.7 7.8 61.0 144 159 A T S S- 0 0 47 36,-0.2 4,-0.4 34,-0.1 3,-0.4 -0.791 74.8-120.4-127.0 161.4 14.0 10.5 58.8 145 160 A V S > S+ 0 0 25 -2,-0.3 3,-1.5 1,-0.2 4,-0.4 0.872 110.1 58.4 -64.3 -41.4 12.1 11.0 55.6 146 161 A A G > S+ 0 0 18 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.800 97.4 62.5 -62.7 -28.5 14.7 13.3 54.0 147 162 A E G 3 S+ 0 0 16 -3,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.683 100.5 53.7 -70.6 -18.8 17.3 10.6 54.4 148 163 A L G <> S+ 0 0 5 -3,-1.5 4,-2.4 -4,-0.4 -1,-0.2 0.528 84.3 90.8 -83.7 -10.9 15.3 8.4 52.0 149 164 A E H <> S+ 0 0 8 -3,-1.1 4,-2.6 -4,-0.4 5,-0.2 0.880 79.4 53.5 -62.5 -44.1 15.0 10.9 49.2 150 165 A Y H > S+ 0 0 10 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.940 116.9 39.9 -54.6 -51.0 18.2 10.0 47.2 151 166 A G H > S+ 0 0 0 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.851 111.8 56.6 -68.3 -37.5 17.0 6.4 47.0 152 167 A R H X S+ 0 0 60 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.927 108.8 47.1 -62.0 -40.2 13.3 7.3 46.4 153 168 A Q H X S+ 0 0 31 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.884 110.4 52.4 -71.2 -37.3 14.2 9.4 43.4 154 169 A L H X S+ 0 0 15 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.951 112.8 44.0 -58.2 -52.9 16.4 6.7 42.0 155 170 A V H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.882 112.7 52.4 -63.7 -40.8 13.7 4.1 42.2 156 171 A E H X S+ 0 0 39 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.916 108.3 50.6 -60.8 -45.1 11.0 6.5 40.8 157 172 A A H X S+ 0 0 64 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.899 112.6 48.4 -58.8 -42.9 13.2 7.3 37.8 158 173 A L H < S+ 0 0 22 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.911 115.4 41.4 -61.6 -47.4 13.6 3.6 37.1 159 174 A Q H < S+ 0 0 99 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.776 116.3 48.4 -79.4 -25.4 10.0 2.7 37.5 160 175 A E H < S+ 0 0 106 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.634 83.4 102.1 -91.0 -20.1 8.6 5.7 35.5 161 176 A D S X S- 0 0 66 -4,-1.3 4,-2.4 -5,-0.2 5,-0.3 -0.539 72.0-137.7 -65.4 126.3 10.9 5.4 32.5 162 177 A P H > S+ 0 0 40 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.920 98.7 37.4 -53.4 -49.2 8.9 3.8 29.7 163 178 A L H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.963 117.6 47.1 -68.8 -54.3 11.8 1.5 28.5 164 179 A I H > S+ 0 0 27 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.892 109.3 55.4 -57.9 -44.4 13.3 0.5 31.9 165 180 A G H X S+ 0 0 22 -4,-2.4 4,-2.3 1,-0.2 5,-0.5 0.890 108.4 49.6 -51.4 -44.4 9.9 -0.2 33.3 166 181 A E H < S+ 0 0 108 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.913 114.6 43.3 -60.8 -44.9 9.3 -2.6 30.4 167 182 A L H < S+ 0 0 55 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.874 116.5 46.5 -71.9 -35.2 12.6 -4.4 31.0 168 183 A V H >< S- 0 0 14 -4,-3.0 3,-1.1 -5,-0.2 -2,-0.2 0.858 89.9-162.9 -76.5 -35.9 12.3 -4.5 34.7 169 184 A E T 3< - 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k 0 691M 3 35,-2.2 37,-1.3 -2,-0.4 38,-0.3 -0.897 46.6-114.3-135.6 166.3 16.4 29.2 -5.5 656 158 C R S S+ 0 0 79 -2,-0.3 38,-1.9 35,-0.3 37,-1.6 0.908 96.5 29.6 -66.6 -42.9 15.6 27.0 -8.5 657 159 C T S > S- 0 0 43 36,-0.2 3,-0.6 34,-0.1 4,-0.4 -0.847 75.7-119.6-125.9 160.6 14.0 24.3 -6.4 658 160 C V G > S+ 0 0 18 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 0.854 109.9 59.7 -63.4 -40.1 12.0 23.9 -3.2 659 161 C A G > S+ 0 0 23 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.809 96.4 62.6 -62.5 -29.7 14.6 21.5 -1.6 660 162 C E G < S+ 0 0 16 -3,-0.6 4,-0.3 1,-0.2 -1,-0.3 0.678 100.2 54.4 -69.5 -18.5 17.3 24.2 -1.9 661 163 C L G <> S+ 0 0 5 -3,-1.5 4,-2.5 -4,-0.4 -1,-0.2 0.524 83.5 90.4 -84.6 -9.5 15.2 26.4 0.5 662 164 C E H <> S+ 0 0 8 -3,-1.2 4,-2.8 -4,-0.3 5,-0.3 0.885 79.6 54.2 -65.2 -43.0 15.0 23.9 3.3 663 165 C Y H > S+ 0 0 10 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.941 116.7 39.7 -53.5 -52.4 18.1 24.8 5.2 664 166 C G H > S+ 0 0 0 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.872 112.1 57.0 -66.1 -39.4 17.0 28.4 5.5 665 167 C R H X S+ 0 0 59 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.935 108.5 46.1 -59.4 -43.6 13.3 27.5 6.0 666 168 C Q H X S+ 0 0 35 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.864 110.6 53.3 -70.8 -34.9 14.2 25.4 9.1 667 169 C L H X S+ 0 0 15 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.953 112.6 43.8 -58.6 -52.5 16.4 28.1 10.5 668 170 C V H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.884 113.5 50.9 -64.8 -40.6 13.6 30.7 10.2 669 171 C E H X S+ 0 0 50 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.919 108.5 52.1 -63.0 -44.3 11.0 28.3 11.6 670 172 C A H X S+ 0 0 65 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.884 112.4 46.9 -57.7 -40.7 13.2 27.5 14.6 671 173 C L H < S+ 0 0 24 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.896 115.3 42.6 -67.6 -43.9 13.6 31.2 15.3 672 174 C Q H < S+ 0 0 100 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.778 115.7 48.3 -79.9 -26.2 9.9 32.1 15.0 673 175 C E H < S+ 0 0 108 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.623 83.7 102.7 -90.9 -18.5 8.6 29.1 16.9 674 176 C D S X S- 0 0 67 -4,-1.0 4,-2.5 -5,-0.2 5,-0.3 -0.543 71.3-138.2 -66.4 126.7 10.9 29.4 19.9 675 177 C P H > S+ 0 0 39 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.922 98.9 37.4 -53.8 -49.4 8.9 31.0 22.9 676 178 C L H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.962 118.4 46.7 -67.5 -54.0 11.8 33.3 24.0 677 179 C I H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.882 109.6 55.2 -59.3 -43.6 13.3 34.3 20.6 678 180 C G H X S+ 0 0 23 -4,-2.5 4,-2.4 2,-0.2 5,-0.4 0.910 108.9 48.4 -50.8 -47.6 9.8 35.0 19.2 679 181 C E H < S+ 0 0 88 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.947 115.2 43.9 -58.9 -48.6 9.2 37.4 22.1 680 182 C L H < S+ 0 0 50 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.834 116.6 46.1 -67.4 -32.8 12.6 39.1 21.5 681 183 C V H >< S- 0 0 16 -4,-2.7 3,-1.3 -5,-0.2 -1,-0.2 0.827 88.2-164.4 -82.7 -32.5 12.1 39.2 17.8 682 184 C E T 3< - 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0 0 61 -5,-0.1 -5,-0.1 -2,-0.1 3,-0.0 -0.949 58.7-104.3-163.7 153.3 5.9 26.7 -5.1 697 199 C H S S+ 0 0 136 -2,-0.3 2,-0.4 1,-0.2 -7,-0.1 0.826 112.4 38.7 -62.7 -31.2 3.3 29.0 -3.7 698 200 C H S S+ 0 0 42 -9,-0.1 -7,-1.4 -3,-0.0 2,-0.3 -0.982 78.0 171.7-121.2 128.2 5.6 32.0 -4.2 699 201 C M B +l 691 0M 54 -2,-0.4 -7,-0.2 -9,-0.2 -4,-0.1 -0.788 19.6 68.0-127.7 166.4 7.8 32.2 -7.3 700 202 C G S S- 0 0 21 -9,-2.1 -7,-0.1 -2,-0.3 -8,-0.0 0.006 71.4 -62.2 110.8 156.9 10.1 34.5 -9.2 701 203 C R > - 0 0 142 1,-0.1 4,-2.5 -9,-0.1 5,-0.2 -0.330 41.1-122.4 -67.6 151.1 13.5 36.2 -9.1 702 204 C I H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.868 113.1 53.8 -61.0 -41.2 14.2 38.7 -6.3 703 205 C T H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.958 112.3 42.7 -58.3 -49.6 15.0 41.4 -9.0 704 206 C D H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 6,-0.3 0.889 115.8 47.6 -66.3 -40.1 11.6 40.9 -10.7 705 207 C N H X S+ 0 0 11 -4,-2.5 6,-1.9 2,-0.2 4,-0.6 0.764 115.2 45.3 -78.5 -24.2 9.6 40.7 -7.4 706 208 C L H < S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.889 115.1 47.0 -80.0 -42.8 11.2 43.8 -5.9 707 209 C A H < S+ 0 0 58 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.869 116.1 43.9 -66.9 -40.3 10.9 45.8 -9.1 708 210 C S H < S- 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.708 106.5-125.1 -77.0 -23.1 7.3 44.9 -9.7 709 211 C G S X S+ 0 0 18 -4,-0.6 4,-1.7 -5,-0.2 3,-0.3 0.502 71.3 130.4 86.2 8.1 6.3 45.4 -6.0 710 212 C K H > S+ 0 0 77 -5,-0.3 4,-2.6 -6,-0.3 5,-0.2 0.872 70.3 55.7 -57.9 -40.9 4.9 41.8 -5.8 711 213 C V H > S+ 0 0 0 -6,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.848 103.0 54.9 -63.7 -34.6 6.9 41.3 -2.6 712 214 C F H >>S+ 0 0 19 -7,-0.4 5,-2.1 -3,-0.3 4,-1.2 0.944 113.2 41.2 -63.1 -49.4 5.4 44.4 -0.9 713 215 C E H <5S+ 0 0 153 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.887 114.5 51.9 -61.7 -44.4 1.9 43.0 -1.5 714 216 C D H <5S+ 0 0 50 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.921 119.2 34.6 -64.8 -42.9 2.8 39.4 -0.6 715 217 C L H <5S- 0 0 41 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.578 106.8-123.6 -86.3 -13.4 4.4 40.4 2.7 716 218 C G T <5 + 0 0 66 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.903 64.5 132.1 70.1 43.7 2.0 43.3 3.5 717 219 C I < - 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