==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JUN-99 1QQ2 . COMPND 2 MOLECULE: THIOREDOXIN PEROXIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.HIROTSU,Y.ABE,K.OKADA,N.NAGAHARA,H.HORI,T.NISHINO, . 346 2 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 1 0.3 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 . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 4 2 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 4 2 0 0 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 1 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 3 A S > 0 0 20 0, 0.0 3,-3.6 0, 0.0 2,-1.7 0.000 360.0 360.0 360.0 105.6 51.0 47.7 26.5 2 4 A G T 3 - 0 0 62 1,-0.3 112,-0.2 113,-0.2 111,-0.2 -0.379 360.0 -16.0 58.8 -83.4 47.3 47.0 25.7 3 5 A N T 3 S+ 0 0 120 110,-2.0 2,-0.6 -2,-1.7 -1,-0.3 0.214 112.1 111.4-131.9 12.9 46.3 50.5 27.0 4 6 A A < + 0 0 6 -3,-3.6 2,-0.4 109,-0.2 6,-0.1 -0.790 38.4 170.1 -96.8 121.8 49.4 51.4 29.0 5 7 A K > - 0 0 60 -2,-0.6 3,-1.8 4,-0.3 132,-0.3 -0.991 39.0-106.0-133.2 136.7 51.4 54.2 27.6 6 8 A I T 3 S+ 0 0 5 -2,-0.4 132,-0.2 1,-0.2 311,-0.1 -0.282 106.8 19.1 -54.8 147.0 54.3 56.1 29.2 7 9 A G T 3 S+ 0 0 43 130,-2.6 -1,-0.2 1,-0.2 131,-0.1 0.530 108.1 97.4 69.6 2.4 53.3 59.6 30.3 8 10 A H S < S- 0 0 80 -3,-1.8 129,-2.5 129,-0.4 -1,-0.2 -0.871 91.5 -75.6-120.2 158.1 49.6 58.7 30.3 9 11 A P B -A 136 0A 94 0, 0.0 -4,-0.3 0, 0.0 127,-0.3 -0.301 55.2-112.4 -51.7 131.8 47.3 57.7 33.2 10 12 A A - 0 0 8 125,-2.5 -6,-0.1 1,-0.2 104,-0.1 -0.414 46.9 -87.4 -64.3 136.8 48.1 54.1 34.1 11 13 A P - 0 0 17 0, 0.0 -1,-0.2 0, 0.0 -7,-0.1 -0.202 50.9-120.5 -49.9 133.3 45.1 51.9 33.2 12 14 A S + 0 0 97 -3,-0.1 2,-0.3 17,-0.1 101,-0.1 -0.279 33.4 179.2 -76.0 155.3 42.7 51.9 36.1 13 15 A F - 0 0 15 2,-0.1 16,-1.9 100,-0.0 2,-0.4 -0.977 20.3-166.4-154.2 149.9 41.6 48.8 38.0 14 16 A K E +B 28 0B 159 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.944 35.3 143.8-135.5 110.9 39.4 47.9 40.9 15 17 A A E -B 27 0B 17 12,-2.4 12,-2.7 -2,-0.4 2,-0.4 -0.907 51.7 -89.6-144.4 171.9 40.0 44.4 42.1 16 18 A T E -B 26 0B 37 88,-0.4 88,-1.7 -2,-0.3 2,-0.3 -0.712 42.2-169.9 -91.1 132.9 40.0 42.3 45.2 17 19 A A E -BC 25 103B 0 8,-3.0 8,-2.2 -2,-0.4 2,-0.8 -0.868 27.5-126.2-120.4 154.0 43.4 42.0 47.0 18 20 A V E -BC 24 102B 3 84,-1.7 84,-1.4 -2,-0.3 6,-0.2 -0.917 37.8-147.5 -98.4 107.4 44.7 39.8 49.9 19 21 A M > - 0 0 32 4,-2.9 3,-1.9 -2,-0.8 79,-0.1 -0.289 23.7-106.0 -74.1 159.2 46.0 42.5 52.2 20 22 A P T 3 S+ 0 0 64 0, 0.0 78,-0.2 0, 0.0 -1,-0.1 0.854 120.1 57.1 -54.8 -36.1 49.1 41.8 54.5 21 23 A D T 3 S- 0 0 124 1,-0.1 78,-0.0 2,-0.1 -2,-0.0 0.540 122.7-105.3 -72.0 -8.5 46.8 41.5 57.6 22 24 A G S < S+ 0 0 33 -3,-1.9 -1,-0.1 1,-0.3 61,-0.0 0.168 77.8 128.6 107.9 -20.8 44.9 38.8 55.9 23 25 A Q - 0 0 134 -5,-0.1 -4,-2.9 1,-0.1 2,-0.6 -0.286 58.1-126.2 -70.4 154.9 41.7 40.6 54.9 24 26 A F E +B 18 0B 81 -6,-0.2 2,-0.4 -8,-0.0 -6,-0.2 -0.901 37.1 175.2 -98.5 126.5 40.2 40.6 51.4 25 27 A K E -B 17 0B 106 -8,-2.2 -8,-3.0 -2,-0.6 2,-0.7 -0.996 33.1-129.3-136.2 136.2 39.7 44.2 50.3 26 28 A D E -B 16 0B 104 -2,-0.4 2,-0.3 -10,-0.3 -10,-0.3 -0.787 39.3-176.8 -85.9 114.7 38.6 45.5 47.0 27 29 A I E -B 15 0B 1 -12,-2.7 -12,-2.4 -2,-0.7 2,-0.3 -0.850 17.1-151.4-115.2 154.0 41.2 48.2 46.1 28 30 A S E > -B 14 0B 20 -2,-0.3 3,-1.1 -14,-0.2 4,-0.4 -0.878 26.1-124.9-118.9 152.0 41.5 50.6 43.2 29 31 A L G > S+ 0 0 17 -16,-1.9 3,-1.7 -2,-0.3 -15,-0.1 0.857 111.6 64.9 -62.7 -34.1 44.7 52.0 41.7 30 32 A S G > S+ 0 0 67 -17,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.740 83.7 74.1 -61.0 -24.7 43.2 55.5 42.4 31 33 A D G < S+ 0 0 85 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.782 94.8 54.4 -58.2 -27.0 43.3 54.8 46.1 32 34 A Y G X S+ 0 0 24 -3,-1.7 3,-2.2 -4,-0.4 -1,-0.3 0.339 72.3 129.5 -95.4 11.8 47.1 55.3 45.9 33 35 A K T < + 0 0 131 -3,-1.7 101,-0.2 1,-0.3 100,-0.1 -0.381 65.6 47.4 -59.5 138.4 47.0 58.7 44.2 34 36 A G T 3 S+ 0 0 48 99,-2.8 2,-0.3 1,-0.2 -1,-0.3 0.075 113.0 52.2 111.0 -22.7 49.3 60.9 46.4 35 37 A K S < S- 0 0 70 -3,-2.2 -1,-0.2 98,-0.3 34,-0.2 -0.942 89.1 -91.7-140.9 165.6 52.1 58.3 46.4 36 38 A Y E -d 69 0B 3 32,-2.5 34,-2.7 -2,-0.3 2,-0.4 -0.305 32.9-155.2 -73.4 157.5 54.1 56.2 44.0 37 39 A V E -dE 70 131B 3 94,-2.3 94,-3.2 32,-0.2 2,-0.7 -0.999 12.6-162.6-139.1 129.2 53.1 52.7 43.0 38 40 A V E -dE 71 130B 0 32,-2.1 34,-2.6 -2,-0.4 2,-0.7 -0.973 19.0-166.7-109.1 101.7 55.3 49.8 41.8 39 41 A F E -dE 72 129B 0 90,-2.7 90,-2.7 -2,-0.7 2,-0.6 -0.900 4.1-171.9 -96.0 111.4 52.8 47.5 40.2 40 42 A F E -dE 73 128B 4 32,-2.3 34,-1.5 -2,-0.7 2,-0.5 -0.916 4.7-169.5-112.9 108.0 54.3 44.1 39.6 41 43 A F E +dE 74 127B 0 86,-3.0 86,-2.3 -2,-0.6 34,-0.2 -0.820 13.0 175.7 -93.6 123.7 52.3 41.6 37.6 42 44 A Y - 0 0 2 32,-2.7 34,-0.3 -2,-0.5 82,-0.2 -0.916 36.6-112.1-127.2 160.4 53.7 38.1 37.6 43 45 A P S S- 0 0 10 0, 0.0 33,-0.8 0, 0.0 81,-0.3 0.893 81.9 -17.0 -56.0 -58.7 52.3 34.8 36.1 44 46 A L - 0 0 68 31,-0.1 30,-0.0 1,-0.1 79,-0.0 -0.987 47.0-127.3-151.6 158.0 51.5 32.6 39.1 45 47 A D S S+ 0 0 0 -2,-0.3 2,-0.3 -3,-0.1 7,-0.3 0.937 94.1 77.2 -71.7 -47.3 52.2 32.3 42.8 46 48 A F + 0 0 88 -3,-0.1 2,-0.3 5,-0.1 48,-0.2 -0.479 65.8 179.0 -68.5 122.8 53.2 28.7 42.5 47 49 A T + 0 0 27 46,-1.4 5,-0.1 -2,-0.3 -2,-0.0 -0.960 24.4 180.0-127.0 154.3 56.8 28.4 41.0 48 50 A F S S+ 0 0 164 -2,-0.3 -1,-0.1 3,-0.1 45,-0.1 0.743 82.9 37.6-117.0 -46.2 58.9 25.4 40.2 49 51 A V S S+ 0 0 51 1,-0.1 296,-0.4 295,-0.1 -2,-0.1 0.963 124.1 3.0 -78.8 -61.3 62.2 26.9 38.9 50 52 A a S S- 0 0 10 294,-0.1 2,-0.1 295,-0.1 -1,-0.1 -0.794 89.7 -80.8-121.7 170.6 62.8 30.1 40.9 51 53 A P - 0 0 85 0, 0.0 5,-0.1 0, 0.0 44,-0.1 -0.498 65.0 -86.9 -67.2 144.7 61.1 31.8 43.9 52 54 A T > - 0 0 4 42,-0.3 3,-1.5 -7,-0.3 4,-0.4 -0.260 41.0-128.9 -51.6 128.4 58.1 33.8 42.8 53 55 A E T 3 S+ 0 0 5 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.690 100.0 69.8 -58.2 -22.9 59.6 37.2 41.9 54 56 A I T >> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-1.4 0.792 83.8 73.1 -67.6 -26.7 57.1 39.2 44.0 55 57 A I H <> S+ 0 0 10 -3,-1.5 4,-2.7 1,-0.3 3,-0.4 0.889 87.0 59.6 -56.6 -43.5 58.7 37.9 47.2 56 58 A A H 3> S+ 0 0 25 -3,-0.5 4,-0.6 -4,-0.4 -1,-0.3 0.728 106.8 49.3 -60.3 -23.5 61.8 40.0 47.0 57 59 A F H <4 S+ 0 0 0 -3,-1.4 4,-0.3 -4,-0.3 -1,-0.3 0.833 107.9 51.8 -80.9 -40.0 59.6 43.1 47.0 58 60 A S H >< S+ 0 0 0 -4,-1.4 3,-1.6 -3,-0.4 4,-0.2 0.957 108.9 53.0 -59.4 -47.8 57.6 41.9 50.0 59 61 A D H 3< S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.3 3,-0.2 0.777 118.4 35.1 -57.9 -33.0 61.0 41.3 51.8 60 62 A R T >X S+ 0 0 67 -4,-0.6 3,-1.8 -5,-0.2 4,-1.0 0.245 78.4 125.4-110.8 20.4 62.0 44.9 51.0 61 63 A A H <> + 0 0 22 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.1 0.735 68.3 61.1 -48.0 -31.8 58.6 46.6 51.3 62 64 A E H 3> S+ 0 0 128 -4,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.867 96.5 56.8 -70.3 -34.5 59.9 49.0 53.8 63 65 A E H <> S+ 0 0 81 -3,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.892 110.2 46.9 -63.6 -33.5 62.5 50.6 51.5 64 66 A F H ><>S+ 0 0 1 -4,-1.0 5,-2.0 2,-0.2 3,-1.2 0.915 109.3 53.0 -71.5 -42.5 59.6 51.3 49.1 65 67 A K H ><5S+ 0 0 161 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.897 102.9 59.5 -58.1 -42.0 57.5 52.8 51.9 66 68 A K H 3<5S+ 0 0 145 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.721 104.3 51.7 -57.7 -28.7 60.5 55.0 52.8 67 69 A L T <<5S- 0 0 35 -3,-1.2 -1,-0.3 -4,-0.5 -31,-0.2 -0.091 121.8-104.4-101.0 31.4 60.2 56.5 49.3 68 70 A N T < 5S+ 0 0 82 -3,-1.7 -32,-2.5 1,-0.2 2,-0.4 0.828 82.3 132.4 50.3 39.5 56.5 57.2 49.4 69 71 A C E < -d 36 0B 4 -5,-2.0 2,-0.5 -34,-0.2 -32,-0.2 -0.967 46.8-155.3-130.4 130.7 55.9 54.2 47.3 70 72 A Q E -d 37 0B 46 -34,-2.7 -32,-2.1 -2,-0.4 2,-0.4 -0.856 12.7-147.0-100.3 127.7 53.5 51.4 47.7 71 73 A V E -d 38 0B 2 -2,-0.5 2,-0.4 -34,-0.2 -32,-0.2 -0.825 16.5-174.0 -94.7 134.3 54.3 48.0 46.0 72 74 A I E -d 39 0B 0 -34,-2.6 -32,-2.3 -2,-0.4 30,-0.2 -0.997 7.9-155.1-128.9 125.0 51.3 46.1 44.8 73 75 A G E -df 40 102B 0 28,-2.6 30,-3.4 -2,-0.4 2,-0.3 -0.527 13.6-178.2 -92.9 166.6 51.6 42.6 43.4 74 76 A A E +df 41 103B 0 -34,-1.5 -32,-2.7 28,-0.2 2,-0.3 -0.963 12.3 155.6-163.9 145.4 49.2 40.9 40.9 75 77 A S E - f 0 104B 0 28,-1.4 30,-1.8 -2,-0.3 -31,-0.1 -0.951 56.7 -95.7-161.1 166.3 48.7 37.6 39.1 76 78 A V S S+ 0 0 7 -33,-0.8 28,-0.1 -34,-0.3 -32,-0.1 0.384 84.4 122.0 -73.6 6.1 45.7 35.7 37.6 77 79 A D - 0 0 17 26,-0.2 28,-0.5 1,-0.1 -2,-0.2 -0.350 67.8-117.6 -65.8 144.5 45.4 33.8 40.9 78 80 A S > - 0 0 47 26,-0.1 4,-3.0 27,-0.1 5,-0.2 -0.438 31.0-103.7 -76.4 163.3 42.0 34.1 42.6 79 81 A H H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.889 125.3 51.7 -58.3 -32.2 42.0 35.7 46.1 80 82 A F H > S+ 0 0 132 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.950 109.8 47.4 -69.3 -46.9 41.6 32.2 47.6 81 83 A S H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.919 111.2 53.5 -61.2 -35.4 44.6 30.9 45.6 82 84 A H H X S+ 0 0 0 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.958 112.6 41.7 -59.0 -51.4 46.5 33.9 46.7 83 85 A L H X S+ 0 0 49 -4,-2.3 4,-2.7 1,-0.2 3,-0.5 0.958 113.2 54.4 -60.4 -48.3 45.8 33.2 50.4 84 86 A A H < S+ 0 0 54 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.834 112.1 43.8 -54.6 -40.2 46.4 29.5 49.9 85 87 A W H >< S+ 0 0 68 -4,-2.4 10,-2.7 -5,-0.2 11,-1.1 0.732 108.3 55.6 -80.0 -29.2 49.9 30.2 48.4 86 88 A I H 3< S+ 0 0 19 -4,-1.7 10,-0.2 -3,-0.5 -2,-0.2 0.881 107.9 52.7 -67.8 -36.2 50.8 32.8 51.0 87 89 A N T 3< S+ 0 0 126 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 -0.085 96.1 84.0 -87.1 31.1 50.0 29.9 53.5 88 90 A T S < S- 0 0 32 -3,-0.9 8,-1.0 -5,-0.1 7,-0.2 -0.997 90.1-110.0-133.4 122.9 52.4 27.6 51.6 89 91 A P > > - 0 0 65 0, 0.0 3,-2.6 0, 0.0 5,-1.7 -0.259 21.5-118.1 -57.1 144.3 56.1 27.8 52.5 90 92 A K G > 5S+ 0 0 117 1,-0.3 3,-1.7 3,-0.2 -38,-0.1 0.829 114.3 61.3 -49.7 -33.9 58.5 29.3 50.0 91 93 A K G 3 5S+ 0 0 162 1,-0.3 -1,-0.3 2,-0.2 4,-0.0 0.625 100.0 53.9 -72.8 -12.0 60.3 25.9 49.8 92 94 A Q G < 5S- 0 0 106 -3,-2.6 -1,-0.3 0, 0.0 -2,-0.2 0.031 132.1 -94.4-102.7 15.7 57.1 24.2 48.6 93 95 A G T < 5S+ 0 0 12 -3,-1.7 -46,-1.4 1,-0.2 -3,-0.2 0.377 90.1 122.6 86.0 0.7 57.0 26.8 45.8 94 96 A G < - 0 0 1 -5,-1.7 -42,-0.3 -48,-0.2 -1,-0.2 0.031 69.6-114.0 -80.8-168.3 54.6 29.1 47.7 95 97 A L - 0 0 1 -10,-2.7 -9,-0.2 -13,-0.2 -5,-0.2 0.811 36.6-151.6 -98.5 -37.0 54.9 32.8 48.8 96 98 A G - 0 0 6 -11,-1.1 -1,-0.1 -8,-1.0 -9,-0.1 -0.270 57.6 -18.5 80.7 173.8 55.1 32.6 52.6 97 99 A P S S- 0 0 117 0, 0.0 2,-0.3 0, 0.0 -39,-0.0 -0.252 74.0-144.9 -45.9 148.9 53.7 35.6 54.6 98 100 A M - 0 0 13 -78,-0.2 4,-0.1 -79,-0.1 -2,-0.1 -0.923 21.0-163.9-125.0 143.0 53.4 38.8 52.5 99 101 A N S S+ 0 0 107 -2,-0.3 -1,-0.1 2,-0.1 -78,-0.1 0.295 77.0 54.2-103.4 2.0 54.0 42.5 53.5 100 102 A I S S- 0 0 2 -81,-0.1 -28,-0.1 -82,-0.1 2,-0.1 -0.898 92.8 -93.1-133.3 159.0 52.2 44.0 50.4 101 103 A P - 0 0 5 0, 0.0 -28,-2.6 0, 0.0 2,-0.5 -0.472 31.2-147.5 -72.5 147.6 48.8 43.5 48.9 102 104 A L E -Cf 18 73B 0 -84,-1.4 -84,-1.7 -30,-0.2 -28,-0.2 -0.958 11.4-144.6-117.8 112.6 48.4 40.9 46.1 103 105 A V E -Cf 17 74B 0 -30,-3.4 -28,-1.4 -2,-0.5 2,-0.5 -0.463 9.8-139.2 -75.9 145.1 45.8 41.8 43.4 104 106 A S E + f 0 75B 6 -88,-1.7 -88,-0.4 -30,-0.2 -28,-0.2 -0.929 23.2 173.2-107.6 131.6 43.7 39.0 41.9 105 107 A D > + 0 0 3 -30,-1.8 3,-1.5 -28,-0.5 6,-0.2 -0.442 20.0 146.7-133.5 60.2 42.9 38.9 38.2 106 108 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -28,-0.1 0.693 78.2 54.7 -71.1 -18.0 41.2 35.6 37.5 107 109 A K T 3 S- 0 0 171 -3,-0.1 -31,-0.1 0, 0.0 -2,-0.1 0.479 104.0-136.1 -88.3 -7.9 39.1 37.3 34.7 108 110 A R <> + 0 0 79 -3,-1.5 4,-1.9 1,-0.1 5,-0.1 0.534 66.6 126.6 64.9 12.1 42.4 38.4 33.1 109 111 A T H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.896 73.0 45.9 -68.6 -37.4 41.0 41.9 32.5 110 112 A I H > S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.896 108.7 55.0 -71.3 -41.3 43.8 43.7 34.2 111 113 A A H 4>S+ 0 0 0 2,-0.2 5,-2.6 1,-0.2 6,-0.7 0.907 110.7 49.6 -56.1 -40.0 46.5 41.6 32.5 112 114 A Q H ><5S+ 0 0 106 -4,-1.9 3,-2.9 1,-0.2 -2,-0.2 0.979 106.9 50.3 -65.2 -55.6 44.8 42.7 29.3 113 115 A D H 3<5S+ 0 0 56 -4,-2.3 -110,-2.0 1,-0.3 -109,-0.2 0.747 115.7 45.6 -56.0 -24.1 44.7 46.4 30.0 114 116 A Y T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -112,-0.2 -2,-0.2 0.408 109.6-126.7 -98.5 2.8 48.4 46.2 30.9 115 117 A G T < 5S+ 0 0 29 -3,-2.9 -113,-0.2 -4,-0.2 -3,-0.2 0.784 75.2 117.6 59.3 33.2 49.2 44.1 27.8 116 118 A V < + 0 0 0 -5,-2.6 9,-1.7 -6,-0.2 2,-0.3 0.352 34.7 119.1-113.1 10.7 50.9 41.3 29.7 117 119 A L B -O 124 0C 42 -6,-0.7 7,-0.2 7,-0.2 5,-0.1 -0.596 67.1-119.0 -77.2 131.9 48.6 38.5 28.8 118 120 A K - 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