==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(H2O2(A)) 11-JUN-85 1GP1 . COMPND 2 MOLECULE: GLUTATHIONE PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR O.EPP,R.LADENSTEIN . 368 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 12 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 0 0 1 2 2 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 0 0 0 2 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 . 2 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 10 A R 0 0 201 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.7 43.4 68.6 32.8 2 11 A T > - 0 0 38 159,-0.1 3,-1.0 154,-0.0 159,-0.2 -0.906 360.0-105.9-128.5 169.8 39.9 67.3 31.9 3 12 A V G > S+ 0 0 0 157,-2.2 3,-1.9 -2,-0.3 16,-0.3 0.511 98.7 90.7 -69.3 -8.7 38.0 64.2 31.2 4 13 A Y G 3 S+ 0 0 23 1,-0.3 16,-0.6 15,-0.2 -1,-0.2 0.593 71.7 69.4 -73.3 -6.9 37.9 65.1 27.5 5 14 A A G < S+ 0 0 58 -3,-1.0 -1,-0.3 14,-0.1 2,-0.3 0.560 91.7 79.7 -76.1 -17.3 41.1 63.3 26.8 6 15 A F < - 0 0 18 -3,-1.9 13,-2.2 105,-0.0 14,-0.5 -0.660 52.4-172.2-102.0 159.9 39.4 59.9 27.4 7 16 A S E -A 18 0A 51 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.963 1.1-171.0-138.5 159.7 37.3 57.5 25.6 8 17 A A E -A 17 0A 8 9,-2.1 9,-2.2 -2,-0.3 7,-0.0 -0.982 28.1-109.9-142.4 157.7 35.4 54.3 26.4 9 18 A R - 0 0 116 -2,-0.3 91,-2.5 7,-0.2 5,-0.1 -0.692 37.7-113.8 -86.4 134.3 33.6 51.6 24.4 10 19 A P B > -B 99 0B 26 0, 0.0 3,-1.5 0, 0.0 89,-0.3 -0.313 19.2-125.4 -66.9 142.4 29.8 51.5 24.8 11 20 A L T 3 S+ 0 0 17 87,-2.2 3,-0.2 1,-0.3 88,-0.2 0.891 106.7 65.6 -50.4 -46.0 28.5 48.3 26.5 12 21 A A T 3 S- 0 0 98 86,-0.4 -1,-0.3 1,-0.2 2,-0.1 0.417 125.0 -46.8 -57.4 -13.6 26.2 47.8 23.5 13 22 A G S < S- 0 0 38 -3,-1.5 -1,-0.2 2,-0.0 -2,-0.1 -0.034 72.6 -71.0 130.8 117.4 29.0 47.2 21.2 14 23 A G + 0 0 41 -3,-0.2 -5,-0.1 -5,-0.1 -3,-0.1 0.128 65.4 115.8 -39.8 144.1 32.2 48.7 20.3 15 24 A E S S- 0 0 149 2,-0.0 2,-0.1 -7,-0.0 -7,-0.1 -0.049 72.8-108.7 144.4 87.8 32.9 52.0 18.5 16 25 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.252 23.9-145.5 -56.0 118.7 34.6 54.2 21.0 17 26 A F E -A 8 0A 45 -9,-2.2 -9,-2.1 -2,-0.1 2,-0.6 -0.636 14.4-143.0 -79.7 125.1 32.7 57.1 22.5 18 27 A N E > -A 7 0A 73 -2,-0.3 3,-2.2 -11,-0.2 -11,-0.2 -0.951 6.9-142.2 -99.0 127.3 34.9 60.1 23.1 19 28 A L G > S+ 0 0 0 -13,-2.2 3,-2.8 -2,-0.6 -15,-0.2 0.769 96.1 77.1 -60.8 -23.4 34.1 62.1 26.3 20 29 A S G > S+ 0 0 49 -16,-0.6 3,-1.2 -14,-0.5 -1,-0.3 0.731 81.0 70.0 -59.5 -17.7 34.9 65.3 24.3 21 30 A S G < S+ 0 0 77 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.691 95.2 55.6 -61.0 -30.1 31.5 64.8 22.7 22 31 A L G X S+ 0 0 19 -3,-2.8 3,-2.3 -4,-0.1 -1,-0.2 0.115 75.5 144.9 -96.9 13.2 30.0 65.7 26.1 23 32 A R T < + 0 0 155 -3,-1.2 136,-0.1 1,-0.3 3,-0.1 -0.294 67.2 26.8 -57.0 126.6 31.7 69.0 26.4 24 33 A G T 3 S+ 0 0 48 134,-1.3 2,-0.4 1,-0.4 -1,-0.3 0.394 100.7 111.9 91.0 -2.7 29.6 71.6 28.1 25 34 A K S < S- 0 0 88 -3,-2.3 2,-0.4 132,-0.2 -1,-0.4 -0.840 70.5-123.5 -98.1 157.5 27.7 68.9 29.9 26 35 A V E -c 58 0C 4 31,-1.8 33,-2.9 -2,-0.4 2,-0.4 -0.761 34.2-152.9 -88.6 120.9 27.7 68.1 33.7 27 36 A L E -cD 59 156C 1 129,-1.8 129,-3.0 -2,-0.4 2,-0.5 -0.906 18.6-166.0-104.4 137.3 28.7 64.5 34.1 28 37 A L E -cD 60 155C 0 31,-1.9 33,-2.6 -2,-0.4 2,-0.5 -0.967 18.8-169.7-113.9 98.9 27.8 62.1 36.9 29 38 A I E +cD 61 154C 0 125,-2.8 125,-2.4 -2,-0.5 2,-0.4 -0.836 7.3 177.1 -90.8 131.4 30.1 59.1 36.6 30 39 A E E -cD 62 153C 0 31,-2.4 33,-2.9 -2,-0.5 2,-0.4 -0.997 28.9-135.4-124.9 145.9 29.6 55.9 38.6 31 40 A N E -c 63 0C 0 121,-1.1 120,-2.3 -2,-0.4 2,-0.3 -0.806 40.9-166.8 -93.3 126.7 31.3 52.5 38.8 32 41 A V E -c 64 0C 0 31,-1.9 33,-1.8 -2,-0.4 2,-0.3 -0.809 24.8-173.0-119.9 160.3 28.5 50.0 38.9 33 42 A A - 0 0 0 -2,-0.3 3,-0.5 31,-0.2 39,-0.2 -0.966 23.2-138.6-146.9 152.2 27.7 46.4 39.5 34 43 A S S S+ 0 0 1 37,-0.7 38,-0.2 -2,-0.3 6,-0.0 0.649 96.9 46.1 -87.9 -19.9 24.5 44.4 39.0 35 44 A L S S+ 0 0 14 36,-1.8 2,-0.3 4,-0.1 -1,-0.2 -0.260 82.0 122.2-123.7 48.3 24.6 42.3 42.2 36 45 A X S > S- 0 0 21 -3,-0.5 3,-1.2 1,-0.1 4,-0.4 -0.667 71.7-117.0 -93.4 162.5 25.4 44.8 44.9 37 46 A G T 3 S+ 0 0 66 1,-0.3 4,-0.3 -2,-0.3 3,-0.2 0.813 119.8 42.0 -69.2 -26.2 23.4 45.7 47.9 38 47 A T T 3> S+ 0 0 23 1,-0.2 4,-2.7 2,-0.1 5,-0.3 0.334 84.2 110.7-102.3 11.3 22.9 49.2 46.7 39 48 A T H <> S+ 0 0 0 -3,-1.2 4,-2.5 1,-0.2 5,-0.3 0.916 81.5 39.9 -42.8 -54.8 22.3 48.0 43.1 40 49 A V H > S+ 0 0 67 -4,-0.4 4,-2.7 -3,-0.2 5,-0.3 0.923 114.5 51.4 -71.0 -41.9 18.7 49.0 43.0 41 50 A R H > S+ 0 0 77 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.916 115.5 40.7 -61.2 -50.3 19.0 52.3 44.9 42 51 A D H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.873 116.3 48.3 -73.0 -36.6 21.7 53.7 42.8 43 52 A Y H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.930 114.1 46.8 -69.4 -39.5 20.3 52.4 39.4 44 53 A T H X S+ 0 0 70 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.965 115.3 46.7 -62.4 -48.1 16.8 53.8 40.2 45 54 A Q H X S+ 0 0 32 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.814 109.3 52.9 -65.3 -36.1 18.3 57.1 41.3 46 55 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.922 110.3 48.4 -69.7 -38.2 20.6 57.4 38.3 47 56 A N H X S+ 0 0 22 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.866 111.7 50.4 -64.4 -41.1 17.6 56.9 35.9 48 57 A D H X S+ 0 0 36 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.969 112.7 45.7 -61.0 -51.3 15.6 59.5 37.9 49 58 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.4 0.870 113.4 50.3 -56.2 -45.5 18.4 62.0 37.7 50 59 A Q H X S+ 0 0 29 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.949 112.6 45.4 -63.6 -41.1 18.9 61.4 34.1 51 60 A R H < S+ 0 0 150 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.962 121.4 36.4 -69.6 -48.9 15.2 61.8 33.2 52 61 A R H < S+ 0 0 92 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.812 129.8 27.6 -71.1 -44.3 14.6 64.9 35.2 53 62 A L H >X>S+ 0 0 3 -4,-2.6 5,-2.0 -5,-0.3 3,-0.7 0.490 94.8 90.3-102.2 -14.8 17.9 66.8 34.8 54 63 A G G ><5S+ 0 0 19 -4,-1.8 3,-1.7 -5,-0.4 -3,-0.1 0.921 85.6 53.9 -44.8 -55.2 19.1 65.4 31.4 55 64 A P G 345S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.756 105.9 55.1 -62.3 -14.0 17.4 68.2 29.4 56 65 A R G <45S- 0 0 137 -3,-0.7 -2,-0.2 -4,-0.1 -3,-0.1 0.552 134.9 -78.8 -95.8 -0.7 19.2 70.8 31.5 57 66 A G T <<5S+ 0 0 12 -3,-1.7 -31,-1.8 -4,-0.6 2,-0.4 0.429 84.5 133.9 125.8 -1.9 22.6 69.5 30.8 58 67 A L E < -c 26 0C 1 -5,-2.0 2,-0.4 -33,-0.2 -1,-0.3 -0.694 27.5-175.3 -82.1 133.6 23.2 66.4 33.0 59 68 A V E -c 27 0C 20 -33,-2.9 -31,-1.9 -2,-0.4 2,-0.4 -0.974 12.3-152.1-123.8 119.1 24.6 63.2 31.5 60 69 A V E -c 28 0C 0 -2,-0.4 37,-0.9 -33,-0.2 2,-0.4 -0.700 12.1-166.3 -88.3 126.4 24.9 60.0 33.7 61 70 A L E -ce 29 97C 0 -33,-2.6 -31,-2.4 -2,-0.4 2,-0.5 -0.977 1.3-160.6-116.7 123.5 27.8 57.6 32.8 62 71 A G E -ce 30 98C 0 35,-2.8 37,-1.9 -2,-0.4 -31,-0.2 -0.961 6.3-170.7-115.5 131.3 28.0 54.1 34.1 63 72 A F E -c 31 0C 10 -33,-2.9 -31,-1.9 -2,-0.5 38,-0.1 -0.913 17.1-142.4-124.7 98.8 31.1 51.9 34.2 64 73 A P E -c 32 0C 1 0, 0.0 38,-2.1 0, 0.0 2,-0.3 -0.312 23.8-179.1 -61.2 137.3 30.6 48.2 35.2 65 74 A C - 0 0 0 -33,-1.8 3,-0.3 36,-0.2 6,-0.2 -0.981 27.9-163.4-149.2 130.5 33.4 46.8 37.2 66 75 A N > + 0 0 39 36,-0.3 4,-0.5 -2,-0.3 37,-0.1 0.147 67.1 97.8 -98.7 14.5 34.1 43.4 38.7 67 76 A Q T 4 + 0 0 12 1,-0.2 2,-0.7 3,-0.1 71,-0.4 0.564 66.1 72.9 -79.1 -14.8 36.7 44.3 41.3 68 77 A F T >4 S- 0 0 1 -3,-0.3 3,-0.6 1,-0.1 82,-0.2 -0.814 130.5 -35.9-115.7 86.4 34.5 44.6 44.4 69 78 A G T 34 S- 0 0 4 -2,-0.7 -1,-0.1 67,-0.3 -2,-0.1 0.717 102.5 -84.4 73.4 20.5 33.4 41.3 45.8 70 79 A H T 3< S+ 0 0 37 -4,-0.5 3,-0.3 1,-0.1 -1,-0.2 0.878 77.6 161.5 46.1 49.5 33.2 40.3 42.0 71 80 A Q < + 0 0 23 -3,-0.6 -36,-1.8 1,-0.2 -37,-0.7 0.313 64.5 50.1 -85.5 18.6 29.7 41.8 41.8 72 81 A E + 0 0 3 -39,-0.2 -1,-0.2 -38,-0.2 -2,-0.1 -0.621 64.7 145.7-142.4 51.0 29.7 42.2 38.0 73 82 A N + 0 0 27 -3,-0.3 -1,-0.1 182,-0.1 -2,-0.1 0.726 40.6 96.0 -67.3 -29.5 30.7 38.7 37.0 74 83 A A S S- 0 0 1 1,-0.1 5,-0.1 -3,-0.1 146,-0.1 -0.182 81.1 -99.2 -60.0 166.7 28.6 38.4 33.8 75 84 A K >> - 0 0 100 1,-0.1 3,-2.2 3,-0.0 4,-1.2 -0.362 36.9-101.9 -76.0 163.2 29.9 39.2 30.3 76 85 A N H >> S+ 0 0 35 1,-0.3 3,-0.6 2,-0.2 4,-0.6 0.882 124.8 55.3 -49.2 -38.6 29.3 42.5 28.6 77 86 A E H 34 S+ 0 0 142 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.606 109.9 45.1 -71.5 -17.6 26.6 40.8 26.6 78 87 A E H <> S+ 0 0 25 -3,-2.2 4,-1.6 2,-0.1 -1,-0.2 0.549 87.6 86.6-104.1 -17.2 24.8 39.6 29.7 79 88 A I H XX S+ 0 0 0 -4,-1.2 4,-1.9 -3,-0.6 3,-0.6 0.938 87.3 51.8 -54.3 -44.7 24.8 42.7 31.8 80 89 A L H 3X S+ 0 0 81 -4,-0.6 4,-2.6 1,-0.3 -1,-0.2 0.896 108.3 52.8 -63.4 -32.5 21.6 44.2 30.4 81 90 A N H 3> S+ 0 0 59 -4,-0.2 4,-2.7 1,-0.2 5,-0.3 0.801 106.0 53.5 -70.4 -32.1 19.7 41.0 31.0 82 91 A C H S+ 0 0 6 -4,-1.6 4,-2.7 -3,-0.6 5,-2.2 0.900 111.5 45.0 -62.0 -46.8 20.8 41.0 34.7 83 92 A L H <5S+ 0 0 0 -4,-1.9 6,-3.7 1,-0.2 9,-0.4 0.954 119.8 41.9 -62.1 -45.8 19.5 44.5 35.2 84 93 A K H <5S+ 0 0 65 -4,-2.6 7,-2.2 -5,-0.2 8,-0.5 0.835 129.7 21.3 -67.4 -48.5 16.3 43.7 33.4 85 94 A Y H <5S+ 0 0 81 -4,-2.7 5,-0.3 4,-0.2 -3,-0.2 0.726 130.8 24.2-102.0 -24.5 15.5 40.3 34.7 86 95 A V T <5S+ 0 0 11 -4,-2.7 -3,-0.2 -5,-0.3 -4,-0.1 0.777 113.9 30.6-107.3 -61.4 17.4 39.7 38.1 87 96 A R S + 0 0 9 -6,-3.7 3,-2.0 -7,-0.2 -4,-0.2 -0.396 30.6 102.9 73.3-161.5 14.6 43.1 37.6 90 99 A G T 3 S- 0 0 92 -5,-0.3 -5,-0.2 1,-0.3 -6,-0.1 0.633 120.1 -54.4 60.5 20.1 10.9 43.9 36.7 91 100 A G T 3 S+ 0 0 40 -7,-2.2 -1,-0.3 1,-0.2 -7,-0.2 0.538 86.6 174.9 91.5 8.9 11.8 45.0 33.2 92 101 A F < + 0 0 30 -3,-2.0 -1,-0.2 -8,-0.5 -3,-0.1 -0.125 7.9 179.4 -50.9 132.9 14.4 47.6 34.5 93 102 A E - 0 0 129 -10,-0.1 2,-0.2 -9,-0.1 -13,-0.0 -0.998 29.7-122.8-134.7 128.0 16.4 49.4 31.7 94 103 A P - 0 0 26 0, 0.0 4,-0.1 0, 0.0 -50,-0.1 -0.544 14.2-152.5 -58.8 131.6 19.1 52.1 32.5 95 104 A N S S+ 0 0 75 -2,-0.2 2,-0.3 2,-0.1 -35,-0.1 0.262 71.4 63.1 -85.1 6.0 18.1 55.2 30.7 96 105 A F S S- 0 0 18 -37,-0.1 2,-0.4 -35,-0.0 -35,-0.1 -0.829 95.6 -66.3-127.5 172.9 21.7 56.3 30.5 97 106 A M E -e 61 0C 61 -37,-0.9 -35,-2.8 -2,-0.3 2,-0.3 -0.447 39.9-175.4 -69.0 126.0 25.0 55.3 29.0 98 107 A L E -e 62 0C 14 -2,-0.4 -87,-2.2 -37,-0.2 -86,-0.4 -0.869 10.0-157.0-110.3 145.3 26.8 52.1 30.1 99 108 A F B -B 10 0B 1 -37,-1.9 -88,-0.1 -2,-0.3 2,-0.1 -0.457 34.6 -69.1-111.2 175.9 30.3 51.2 28.8 100 109 A E - 0 0 65 -91,-2.5 -1,-0.2 -2,-0.2 -89,-0.1 -0.413 64.1 -86.6 -64.0 154.8 32.1 47.9 28.6 101 110 A K + 0 0 53 -90,-0.1 2,-0.2 -38,-0.1 -36,-0.2 -0.383 64.3 157.6 -62.5 120.5 33.3 46.2 31.8 102 111 A C - 0 0 63 -38,-2.1 -36,-0.3 -2,-0.1 2,-0.3 -0.840 40.7 -95.3-138.5 174.1 36.8 47.6 32.8 103 112 A E B -g 109 0D 81 5,-0.5 7,-2.9 -2,-0.2 10,-0.2 -0.705 20.8-172.1 -94.6 145.1 39.0 48.0 36.0 104 113 A V S S+ 0 0 3 -2,-0.3 2,-0.3 5,-0.2 13,-0.1 0.634 71.2 42.9-108.5 -20.0 39.0 51.1 38.1 105 114 A N S S+ 0 0 0 41,-0.1 3,-0.3 3,-0.1 -1,-0.2 -0.838 93.5 28.3-124.6 153.4 41.9 50.2 40.5 106 115 A G S > S- 0 0 15 35,-0.4 3,-1.5 -2,-0.3 36,-0.1 -0.175 103.7 -45.6 90.3 179.5 45.3 48.7 39.9 107 116 A E T 3 S+ 0 0 151 33,-2.5 -1,-0.2 1,-0.3 32,-0.0 0.725 134.2 48.9 -60.5 -24.1 47.7 48.5 37.0 108 117 A K T 3 S+ 0 0 148 -3,-0.3 -5,-0.5 32,-0.3 -1,-0.3 0.155 81.1 136.7 -97.8 6.3 45.0 47.7 34.4 109 118 A A B < -g 103 0D 17 -3,-1.5 -5,-0.2 1,-0.1 -3,-0.1 -0.363 66.0 -98.9 -54.9 142.6 42.6 50.5 35.5 110 119 A H >> - 0 0 31 -7,-2.9 4,-2.3 1,-0.1 3,-0.6 -0.314 31.7-124.2 -61.5 130.7 40.9 52.6 32.8 111 120 A P H 3> S+ 0 0 77 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.830 110.8 62.4 -58.7 -23.1 42.8 55.8 32.4 112 121 A L H 3> S+ 0 0 1 2,-0.2 4,-2.1 -105,-0.2 5,-0.1 0.923 107.8 42.6 -64.0 -42.5 39.7 57.7 33.0 113 122 A F H <> S+ 0 0 2 -3,-0.6 4,-2.4 -10,-0.2 5,-0.3 0.879 110.0 55.5 -75.8 -31.6 39.5 56.2 36.5 114 123 A A H X S+ 0 0 42 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.931 112.0 46.2 -63.3 -36.4 43.2 56.6 37.1 115 124 A F H X S+ 0 0 8 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.910 110.2 50.2 -68.0 -48.5 42.6 60.3 36.4 116 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.896 113.3 48.0 -60.4 -37.7 39.5 60.7 38.5 117 126 A R H < S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.836 112.2 49.3 -74.8 -32.8 41.4 59.1 41.4 118 127 A E H < S+ 0 0 137 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.938 115.8 40.0 -69.5 -49.5 44.4 61.3 41.0 119 128 A V H < S+ 0 0 57 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.842 128.6 32.2 -75.3 -25.7 42.5 64.5 40.8 120 129 A L S < S+ 0 0 27 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 -0.804 73.2 176.1-127.7 77.8 40.0 63.6 43.6 121 130 A P + 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.696 62.3 25.4 -73.4 -14.9 42.0 61.4 45.9 122 131 A T S S- 0 0 69 43,-0.0 2,-0.4 45,-0.0 43,-0.3 -0.988 87.0 -99.6-141.6 153.0 39.4 60.9 48.6 123 132 A P > - 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0 0 6 -2,-0.4 3,-1.5 -15,-0.2 -40,-0.0 -0.109 34.5 -94.1 -69.8 170.9 36.9 17.7 40.5 353 177 B R T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -16,-0.1 -16,-0.0 0.657 125.4 50.5 -49.5 -26.5 35.9 21.0 39.0 354 178 B R T 3 S+ 0 0 161 2,-0.1 2,-0.3 -43,-0.0 -1,-0.3 0.658 82.2 102.0 -97.1 -13.6 37.3 19.8 35.7 355 179 B F S < S- 0 0 52 -3,-1.5 2,-0.2 -19,-0.1 -4,-0.1 -0.536 79.1-116.1 -76.4 123.0 35.6 16.4 35.4 356 180 B L > - 0 0 57 -2,-0.3 3,-0.6 1,-0.1 4,-0.3 -0.471 10.5-136.2 -63.7 139.1 32.8 16.6 33.0 357 181 B T G > S+ 0 0 0 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.889 104.6 54.9 -55.6 -42.4 29.3 16.0 34.4 358 182 B I G > S+ 0 0 40 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.818 96.9 64.9 -67.3 -26.6 28.4 13.8 31.5 359 183 B D G < S+ 0 0 83 -3,-0.6 -1,-0.3 1,-0.3 4,-0.2 0.514 87.6 68.4 -75.5 -2.1 31.4 11.5 32.0 360 184 B I G X> S+ 0 0 0 -3,-1.7 4,-1.8 -4,-0.3 3,-1.4 0.619 74.0 96.6 -87.4 -11.7 30.1 10.4 35.3 361 185 B E H <> S+ 0 0 40 -3,-1.6 4,-2.7 -4,-0.3 3,-0.4 0.868 78.3 52.1 -47.8 -44.6 27.4 8.6 33.4 362 186 B P H 3> S+ 0 0 80 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.844 109.8 50.5 -59.9 -36.0 29.2 5.2 33.4 363 187 B D H <> S+ 0 0 42 -3,-1.4 4,-1.2 -4,-0.2 -2,-0.2 0.789 108.9 50.2 -73.5 -30.4 29.6 5.4 37.2 364 188 B I H >X S+ 0 0 0 -4,-1.8 4,-2.1 -3,-0.4 3,-0.6 0.940 108.7 54.0 -70.1 -40.8 25.9 6.1 37.7 365 189 B E H 3X S+ 0 0 58 -4,-2.7 4,-3.3 1,-0.3 3,-0.3 0.922 104.4 54.4 -53.4 -51.2 25.1 3.2 35.4 366 190 B T H 3< S+ 0 0 103 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.801 115.6 38.5 -55.5 -30.7 27.2 0.9 37.6 367 191 B L H << S+ 0 0 44 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.700 111.5 57.3 -89.7 -29.2 25.3 1.9 40.7 368 192 B L H < 0 0 30 -4,-2.1 -2,-0.2 -3,-0.3 -3,-0.2 0.947 360.0 360.0 -70.0 -38.4 21.9 2.0 38.9 369 193 B S < 0 0 126 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.632 360.0 360.0 -67.6 360.0 22.5 -1.6 37.9