==== 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 22-JAN-09 2W98 . COMPND 2 MOLECULE: PROSTAGLANDIN REDUCTASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.SHAFQAT,W.W.YUE,J.MUNIZ,S.PICAUD,F.NIESEN,C.ARROWSMITH,J.W . 703 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 495 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 12.8 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 . 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 . 1 0.1 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 . 47 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.4 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 2 0 0 0 4 6 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 6 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 PARALLEL BRIDGES PER LADDER . 4 0 4 0 2 2 2 2 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 0 0 2 2 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 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 0 A M 0 0 122 0, 0.0 2,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 143.6 39.7 -27.9 45.4 2 1 A M E -A 31 0A 77 29,-0.7 29,-2.8 30,-0.1 2,-0.4 -0.512 360.0-119.9 -88.3 159.3 36.1 -26.8 46.2 3 2 A I E +A 30 0A 88 27,-0.2 2,-0.3 -2,-0.2 27,-0.2 -0.856 33.5 178.0-101.5 131.8 33.1 -28.3 44.4 4 3 A V E -A 29 0A 3 25,-3.0 25,-2.5 -2,-0.4 2,-0.3 -0.804 25.9-113.0-125.2 167.7 30.7 -25.9 42.5 5 4 A Q E +A 28 0A 71 -2,-0.3 101,-2.3 23,-0.2 2,-0.3 -0.814 31.8 176.9-103.1 145.9 27.6 -26.3 40.4 6 5 A R E -AB 27 105A 56 21,-2.8 21,-2.8 -2,-0.3 2,-0.4 -0.945 23.7-130.2-140.5 160.9 27.3 -25.7 36.7 7 6 A V E -A 26 0A 0 97,-2.6 68,-2.3 -2,-0.3 97,-0.3 -0.970 24.4-176.1-114.4 131.7 24.7 -26.0 34.0 8 7 A V E -AC 25 74A 0 17,-2.6 17,-2.2 -2,-0.4 2,-0.6 -0.796 38.3 -94.1-118.5 160.4 25.4 -27.7 30.6 9 8 A L E -Ad 24 71A 0 64,-1.6 63,-3.4 61,-0.6 15,-0.3 -0.693 39.7-178.4 -76.5 117.7 23.3 -28.2 27.5 10 9 A N - 0 0 68 13,-2.2 2,-0.3 -2,-0.6 14,-0.2 0.861 59.8 -17.2 -83.1 -44.5 21.6 -31.6 27.9 11 10 A S - 0 0 40 12,-1.4 -1,-0.3 60,-0.0 14,-0.0 -0.976 63.7-109.1-158.6 162.6 19.7 -31.8 24.6 12 11 A R - 0 0 56 -2,-0.3 46,-0.1 -3,-0.1 3,-0.1 -0.816 14.5-144.1-102.0 143.1 18.4 -29.7 21.7 13 12 A P - 0 0 28 0, 0.0 5,-0.2 0, 0.0 3,-0.1 0.641 49.6-107.8 -78.8 -11.5 14.7 -29.0 21.3 14 13 A G > - 0 0 36 43,-0.3 3,-1.8 3,-0.1 43,-0.1 0.033 34.2 -82.6 92.7 150.5 14.9 -29.1 17.4 15 14 A K T 3 S+ 0 0 113 1,-0.3 248,-0.2 -3,-0.1 -1,-0.1 0.789 134.7 36.2 -58.1 -33.2 14.7 -26.1 15.1 16 15 A N T 3 S+ 0 0 114 245,-0.2 -1,-0.3 246,-0.1 2,-0.1 0.210 103.1 107.8-101.7 14.2 10.9 -26.2 15.3 17 16 A G < - 0 0 16 -3,-1.8 -3,-0.1 1,-0.1 0, 0.0 -0.445 69.7-114.6 -96.8 163.0 10.7 -27.3 19.0 18 17 A N - 0 0 118 -5,-0.2 2,-0.2 -2,-0.1 -2,-0.1 -0.762 34.9-119.7 -90.5 136.3 9.8 -25.6 22.3 19 18 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.560 35.0-172.9 -78.0 146.3 12.6 -25.2 24.8 20 19 A V > - 0 0 45 -2,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.904 39.6-106.8-135.7 161.6 12.1 -27.0 28.1 21 20 A A G > S+ 0 0 23 -2,-0.3 3,-1.9 1,-0.3 306,-0.1 0.853 115.9 65.1 -54.6 -36.3 13.9 -27.2 31.5 22 21 A E G 3 S+ 0 0 129 1,-0.3 -1,-0.3 304,-0.1 305,-0.0 0.572 81.1 77.1 -69.6 -9.2 15.2 -30.7 30.6 23 22 A N G < S+ 0 0 9 -3,-2.1 -13,-2.2 -13,-0.1 -12,-1.4 0.580 96.9 57.4 -71.6 -10.3 17.2 -29.3 27.7 24 23 A F E < S-A 9 0A 16 -3,-1.9 2,-0.4 -15,-0.3 -15,-0.2 -0.905 71.9-160.3-120.8 152.9 19.7 -28.2 30.5 25 24 A R E -A 8 0A 76 -17,-2.2 -17,-2.6 -2,-0.3 2,-0.3 -0.998 14.0-132.2-138.2 135.7 21.4 -30.3 33.1 26 25 A M E +A 7 0A 71 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.683 30.8 172.2 -82.8 136.5 23.0 -29.5 36.5 27 26 A E E -A 6 0A 50 -21,-2.8 -21,-2.8 -2,-0.3 2,-0.4 -0.945 27.8-128.6-137.4 159.9 26.5 -30.9 37.2 28 27 A E E +A 5 0A 133 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.940 30.1 176.4-108.5 138.1 29.0 -30.5 39.9 29 28 A V E -A 4 0A 32 -25,-2.5 -25,-3.0 -2,-0.4 2,-0.3 -0.927 32.2-104.5-133.8 157.4 32.7 -29.7 39.0 30 29 A Y E -A 3 0A 142 -2,-0.3 -27,-0.2 -27,-0.2 -28,-0.0 -0.626 26.7-142.1 -78.6 141.6 35.9 -28.9 40.9 31 30 A L E -A 2 0A 4 -29,-2.8 -29,-0.7 -2,-0.3 77,-0.1 -0.931 28.5-113.0-100.7 122.2 37.1 -25.3 40.9 32 31 A P - 0 0 63 0, 0.0 -30,-0.1 0, 0.0 -1,-0.0 -0.159 15.0-134.3 -53.3 149.4 40.9 -25.1 40.6 33 32 A D S S+ 0 0 107 -32,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.592 83.4 47.1 -84.5 -15.0 42.7 -23.8 43.7 34 33 A N - 0 0 104 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.926 64.0-154.5-127.5 154.0 45.0 -21.4 41.8 35 34 A I - 0 0 1 -2,-0.3 2,-0.2 4,-0.1 3,-0.1 -0.863 19.6-125.8-119.7 157.9 44.5 -18.7 39.1 36 35 A N > - 0 0 100 -2,-0.3 3,-2.2 1,-0.2 51,-0.2 -0.523 43.8 -66.5 -98.8 167.9 47.1 -17.5 36.6 37 36 A E T 3 S+ 0 0 92 1,-0.3 51,-0.2 -2,-0.2 -1,-0.2 -0.248 123.5 21.9 -51.6 133.6 48.3 -14.0 35.8 38 37 A G T 3 S+ 0 0 21 49,-2.8 74,-2.8 1,-0.3 75,-0.5 0.307 104.7 107.4 87.8 -9.0 45.5 -11.9 34.2 39 38 A Q E < -E 111 0B 53 -3,-2.2 48,-2.5 72,-0.3 2,-0.3 -0.573 48.8-162.0 -99.8 164.0 42.7 -14.1 35.7 40 39 A V E -EF 110 86B 0 70,-2.4 70,-2.6 46,-0.2 2,-0.5 -0.976 17.2-134.1-137.6 149.6 40.2 -13.5 38.4 41 40 A Q E -EF 109 85B 21 44,-2.5 43,-3.1 -2,-0.3 44,-1.6 -0.944 32.7-170.3-103.3 127.7 38.1 -15.9 40.5 42 41 A V E -EF 108 83B 0 66,-3.0 66,-2.3 -2,-0.5 2,-0.6 -0.896 23.6-137.5-124.7 143.4 34.6 -14.6 40.7 43 42 A R E -EF 107 82B 90 39,-3.1 39,-2.3 -2,-0.3 2,-0.2 -0.918 30.3-128.2 -97.3 121.3 31.5 -15.5 42.7 44 43 A T E + F 0 81B 1 62,-2.3 37,-0.3 -2,-0.6 3,-0.1 -0.496 32.5 171.7 -70.7 129.1 28.4 -15.5 40.5 45 44 A L E + 0 0 21 35,-2.7 300,-2.4 1,-0.4 301,-1.0 0.814 63.1 4.3-107.0 -50.3 25.5 -13.4 41.9 46 45 A Y E -GF 344 80B 34 34,-2.0 34,-2.4 298,-0.2 -1,-0.4 -0.993 58.5-160.8-138.0 149.4 22.9 -13.1 39.2 47 46 A L E -GF 343 79B 0 296,-2.2 296,-2.4 -2,-0.3 32,-0.2 -0.965 14.6-134.1-126.7 147.8 22.4 -14.6 35.7 48 47 A S E -G 342 0B 3 30,-2.7 2,-0.4 -2,-0.4 294,-0.2 -0.571 5.4-156.4 -90.0 152.9 20.2 -13.5 32.9 49 48 A V - 0 0 3 292,-1.0 292,-0.3 -2,-0.2 28,-0.0 -0.983 22.4-179.8-123.1 141.8 18.0 -15.5 30.6 50 49 A D > - 0 0 25 -2,-0.4 3,-1.7 1,-0.1 4,-0.3 -0.995 39.8-118.6-143.5 144.1 17.2 -13.9 27.2 51 50 A P T > S+ 0 0 45 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.804 108.2 67.1 -52.3 -36.6 15.2 -14.8 24.1 52 51 A Y T >> S+ 0 0 50 1,-0.3 3,-1.0 2,-0.2 4,-0.7 0.752 86.3 74.0 -57.5 -25.1 18.4 -14.8 21.8 53 52 A M H <> S+ 0 0 0 -3,-1.7 4,-0.7 1,-0.3 3,-0.3 0.747 78.5 73.9 -62.0 -23.2 19.4 -17.9 23.8 54 53 A R H X4 S+ 0 0 0 -3,-2.1 3,-1.2 -4,-0.3 4,-0.3 0.914 95.7 47.9 -56.7 -44.9 16.8 -19.9 22.0 55 54 A C H X4 S+ 0 0 25 -3,-1.0 3,-1.2 -4,-0.4 -1,-0.2 0.792 101.5 65.5 -69.0 -23.4 18.9 -19.9 18.8 56 55 A R H 3< S+ 0 0 9 -4,-0.7 13,-2.8 -3,-0.3 -1,-0.2 0.684 93.4 62.7 -70.7 -15.2 22.0 -20.9 20.8 57 56 A M T << S+ 0 0 0 -3,-1.2 -43,-0.3 -4,-0.7 -1,-0.2 0.617 90.8 82.7 -82.1 -16.2 20.2 -24.2 21.5 58 57 A N S < S- 0 0 18 -3,-1.2 11,-0.2 -4,-0.3 3,-0.1 -0.558 89.2-119.4 -85.2 154.0 20.1 -25.1 17.8 59 58 A E S S+ 0 0 151 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.864 109.1 31.5 -59.7 -37.0 23.1 -26.7 16.0 60 59 A D S S- 0 0 126 1,-0.1 -1,-0.2 7,-0.1 7,-0.1 -0.993 71.4-158.1-122.7 123.8 23.2 -23.7 13.7 61 60 A T - 0 0 14 -2,-0.4 -1,-0.1 5,-0.3 3,-0.1 0.752 28.9-134.5 -72.6 -23.6 22.2 -20.4 15.2 62 61 A G S S+ 0 0 47 1,-0.1 203,-0.4 4,-0.1 2,-0.4 0.538 77.1 91.2 78.4 8.7 21.4 -18.9 11.7 63 62 A T S > S- 0 0 19 3,-0.4 3,-1.3 201,-0.1 -2,-0.2 -0.997 73.1-138.7-139.4 133.3 23.3 -15.7 12.7 64 63 A D T 3 S+ 0 0 143 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.581 100.3 50.0 -68.9 -14.6 27.0 -14.9 12.1 65 64 A Y T 3 S+ 0 0 102 1,-0.1 2,-0.5 -4,-0.0 -1,-0.3 0.400 98.0 71.6-107.9 3.5 27.5 -13.2 15.5 66 65 A I < - 0 0 23 -3,-1.3 -3,-0.4 -11,-0.0 -5,-0.3 -0.984 68.1-152.0-119.3 123.3 25.9 -15.9 17.8 67 66 A T - 0 0 68 -2,-0.5 2,-0.1 -7,-0.1 -7,-0.1 -0.743 24.6-111.0 -91.4 144.6 27.7 -19.3 18.4 68 67 A P - 0 0 36 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.451 27.9-113.1 -71.3 142.1 25.7 -22.4 19.3 69 68 A W - 0 0 8 -13,-2.8 2,-0.4 -16,-0.2 6,-0.1 -0.437 34.3-129.2 -64.1 145.7 25.9 -23.9 22.7 70 69 A Q > - 0 0 104 4,-0.3 3,-1.9 -2,-0.1 -61,-0.6 -0.843 24.6 -98.1-106.8 142.4 27.6 -27.4 22.6 71 70 A L B 3 S+d 9 0A 78 -2,-0.4 -61,-0.2 1,-0.3 3,-0.1 -0.256 105.5 5.9 -60.2 136.9 26.1 -30.5 24.1 72 71 A S T 3 S+ 0 0 50 -63,-3.4 2,-0.3 1,-0.2 -1,-0.3 0.496 105.6 113.4 65.7 8.9 27.5 -31.4 27.6 73 72 A Q S < S- 0 0 110 -3,-1.9 -64,-1.6 -64,-0.2 -1,-0.2 -0.799 79.5 -86.6-107.4 153.0 29.5 -28.1 27.7 74 73 A V B -C 8 0A 52 -2,-0.3 -4,-0.3 -66,-0.2 -66,-0.3 -0.259 42.6-132.5 -59.3 138.2 28.8 -25.2 30.2 75 74 A V - 0 0 0 -68,-2.3 29,-3.1 29,-0.2 2,-0.3 -0.494 24.3-162.9 -83.1 162.3 26.2 -22.7 29.0 76 75 A D E + H 0 103B 25 27,-0.3 2,-0.3 -2,-0.2 25,-0.1 -0.980 21.5 131.6-149.7 159.8 26.8 -18.9 29.2 77 76 A G E - H 0 102B 0 25,-1.7 25,-2.9 -2,-0.3 22,-0.1 -0.956 59.5 -20.8 179.7-168.1 25.1 -15.5 29.1 78 77 A G E + 0 0 9 -2,-0.3 -30,-2.7 23,-0.2 2,-0.3 -0.318 68.2 162.3 -59.8 136.6 24.8 -12.2 30.8 79 78 A G E -FH 47 99B 0 20,-2.2 20,-1.6 -32,-0.2 2,-0.3 -0.990 30.6-153.3-153.2 161.4 26.0 -12.2 34.4 80 79 A I E +FH 46 98B 0 -34,-2.4 -35,-2.7 -2,-0.3 -34,-2.0 -0.994 27.4 150.9-138.4 142.4 27.1 -10.2 37.4 81 80 A G E -FH 44 97B 0 16,-2.2 16,-2.3 -2,-0.3 2,-0.4 -0.890 39.5-101.2-155.7 179.5 29.3 -11.3 40.2 82 81 A I E -FH 43 96B 36 -39,-2.3 -39,-3.1 -2,-0.3 2,-0.3 -0.969 34.7-117.0-120.7 135.0 31.9 -10.3 42.8 83 82 A I E +F 42 0B 2 12,-2.7 11,-2.8 -2,-0.4 -41,-0.3 -0.538 29.0 177.2 -72.9 126.7 35.6 -10.8 42.5 84 83 A E E S+ 0 0 32 -43,-3.1 2,-0.3 1,-0.4 -42,-0.2 0.717 72.4 6.7 -97.7 -34.1 37.0 -13.2 45.2 85 84 A E E -F 41 0B 77 -44,-1.6 -44,-2.5 7,-0.1 2,-0.4 -0.987 68.6-164.4-151.5 144.2 40.6 -13.2 44.0 86 85 A S E +F 40 0B 32 -2,-0.3 -46,-0.2 -46,-0.2 7,-0.1 -0.995 29.3 167.9-137.1 134.1 42.5 -11.2 41.4 87 86 A K + 0 0 103 -48,-2.5 -49,-2.8 -2,-0.4 2,-0.4 -0.167 63.6 102.5-121.8 32.1 45.8 -11.4 39.5 88 87 A H S > S- 0 0 19 3,-0.4 3,-1.3 -50,-0.2 -51,-0.0 -0.954 72.8-136.4-112.9 135.8 44.6 -8.8 37.1 89 88 A T T 3 S+ 0 0 132 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.746 101.0 45.7 -68.9 -23.8 46.0 -5.3 37.6 90 89 A N T 3 S+ 0 0 122 -3,-0.0 2,-0.4 2,-0.0 -1,-0.3 0.356 107.7 62.8-101.0 4.7 42.6 -3.4 37.1 91 90 A L < + 0 0 9 -3,-1.3 -3,-0.4 4,-0.0 2,-0.3 -0.974 58.8 179.4-130.3 145.0 40.5 -5.7 39.3 92 91 A T > - 0 0 86 -2,-0.4 3,-2.2 -5,-0.1 -9,-0.3 -0.961 42.6 -70.8-140.7 158.1 40.6 -6.4 43.0 93 92 A K T 3 S+ 0 0 140 -2,-0.3 -9,-0.2 1,-0.3 3,-0.1 -0.210 118.0 27.1 -45.3 128.8 38.7 -8.5 45.6 94 93 A G T 3 S+ 0 0 35 -11,-2.8 -1,-0.3 1,-0.4 2,-0.1 0.185 85.9 131.1 97.4 -12.9 35.3 -7.1 46.2 95 94 A D < - 0 0 20 -3,-2.2 -12,-2.7 -12,-0.1 2,-0.4 -0.461 54.9-131.8 -67.6 142.4 34.8 -5.4 42.8 96 95 A F E -HI 82 118B 50 22,-0.5 22,-2.5 -14,-0.2 2,-0.3 -0.829 32.5-179.6 -94.4 137.3 31.5 -6.1 41.1 97 96 A V E -HI 81 117B 0 -16,-2.3 -16,-2.2 -2,-0.4 2,-0.3 -0.929 15.6-154.5-138.6 157.3 31.9 -7.1 37.5 98 97 A T E -HI 80 116B 28 18,-2.1 18,-2.2 -2,-0.3 2,-0.3 -0.906 8.4-178.9-129.9 156.4 29.7 -8.1 34.5 99 98 A S E > -H 79 0B 18 -20,-1.6 -20,-2.2 -2,-0.3 3,-0.5 -0.971 29.2-143.3-148.8 149.9 30.2 -10.2 31.3 100 99 A F E 3 S+ 0 0 65 -2,-0.3 -22,-0.1 -22,-0.2 15,-0.1 0.613 106.6 48.0 -80.9 -15.8 27.9 -11.0 28.3 101 100 A Y E 3 S+ 0 0 86 13,-0.2 -1,-0.2 -25,-0.1 -23,-0.2 -0.424 75.7 157.3-124.0 52.6 29.5 -14.5 28.3 102 101 A W E < -H 77 0B 0 -25,-2.9 -25,-1.7 -3,-0.5 2,-0.0 -0.684 44.0-119.9 -83.6 122.9 29.3 -15.5 32.0 103 102 A P E -H 76 0B 25 0, 0.0 2,-1.9 0, 0.0 -27,-0.3 -0.376 23.2-114.8 -63.7 143.4 29.5 -19.3 32.4 104 103 A W S S+ 0 0 0 -29,-3.1 -97,-2.6 -97,-0.3 2,-0.3 -0.572 79.2 112.8 -80.8 82.5 26.4 -20.8 34.2 105 104 A Q B S-B 6 0A 27 -2,-1.9 -99,-0.2 -99,-0.3 -61,-0.2 -0.977 73.8-122.7-158.3 143.8 28.4 -21.9 37.2 106 105 A T S S+ 0 0 23 -101,-2.3 -62,-2.3 -2,-0.3 2,-0.4 0.840 99.8 17.4 -71.5 -35.4 28.4 -20.7 40.9 107 106 A K E S-E 43 0B 46 -102,-0.3 2,-0.3 -64,-0.2 -64,-0.2 -0.996 78.9-175.6-136.1 140.5 32.1 -19.7 41.0 108 107 A V E -E 42 0B 2 -66,-2.3 -66,-3.0 -2,-0.4 2,-0.5 -0.918 27.2-137.3-137.7 153.0 34.2 -19.2 37.9 109 108 A I E +E 41 0B 43 -2,-0.3 2,-0.3 -68,-0.2 -68,-0.2 -0.979 39.5 170.5-111.9 120.1 37.8 -18.4 36.8 110 109 A L E -E 40 0B 24 -70,-2.6 -70,-2.4 -2,-0.5 2,-0.5 -0.903 42.5 -98.4-130.2 155.8 37.8 -15.8 34.0 111 110 A D E > -E 39 0B 77 -2,-0.3 3,-1.7 -72,-0.2 -72,-0.3 -0.678 31.6-142.1 -70.1 123.6 40.2 -13.6 32.1 112 111 A G G > S+ 0 0 3 -74,-2.8 3,-1.6 -2,-0.5 -1,-0.1 0.790 98.1 66.7 -59.9 -30.6 40.0 -10.2 33.8 113 112 A N G 3 S+ 0 0 121 -75,-0.5 -1,-0.3 1,-0.3 -74,-0.1 0.729 95.3 58.6 -65.5 -19.2 40.3 -8.5 30.4 114 113 A S G < S+ 0 0 62 -3,-1.7 2,-0.3 2,-0.0 -1,-0.3 0.391 95.3 81.2 -88.8 0.9 36.8 -9.9 29.5 115 114 A L < - 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