==== 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 23-JAN-07 2ONF . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TA0195; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 280 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 27.1 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 . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 1 2 0 2 0 0 0 0 2 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 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 G 0 0 60 0, 0.0 222,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 94.2 39.6 1.6 2.2 2 1 A X + 0 0 94 220,-0.5 2,-0.4 222,-0.0 221,-0.2 0.255 360.0 159.2-103.3 125.3 37.8 -0.5 3.1 3 2 A H E -A 222 0A 77 219,-3.0 219,-2.8 2,-0.0 2,-0.4 -0.897 27.6-144.2-108.3 136.5 37.4 0.4 6.9 4 3 A V E -A 221 0A 67 -2,-0.4 2,-0.4 217,-0.2 217,-0.2 -0.843 12.5-170.6-107.8 128.6 34.4 -1.0 8.9 5 4 A Y E -A 220 0A 17 215,-2.9 215,-3.0 -2,-0.4 2,-0.3 -0.975 10.2-164.9-120.2 129.4 32.6 1.0 11.6 6 5 A E E +A 219 0A 105 -2,-0.4 2,-0.3 213,-0.2 213,-0.2 -0.901 16.2 153.3-122.5 144.5 30.1 -0.6 13.8 7 6 A S E -A 218 0A 4 211,-1.9 211,-3.0 -2,-0.3 2,-0.4 -0.920 28.1-131.2-152.2 173.6 27.4 0.5 16.2 8 7 A D E -AB 217 20A 72 12,-2.2 12,-3.1 -2,-0.3 2,-0.4 -0.994 13.3-169.5-132.1 146.4 24.0 -0.5 17.7 9 8 A V E -AB 216 19A 1 207,-2.4 207,-1.8 -2,-0.4 2,-0.3 -0.990 10.6-177.9-140.1 124.9 20.8 1.4 18.0 10 9 A S E -AB 215 18A 23 8,-2.1 8,-2.4 -2,-0.4 2,-0.5 -0.848 30.8-110.2-121.1 155.9 17.8 0.2 20.0 11 10 A W E - B 0 17A 45 203,-2.5 203,-0.3 -2,-0.3 6,-0.2 -0.772 26.5-178.1 -80.6 124.8 14.3 1.4 20.8 12 11 A I - 0 0 61 4,-2.3 2,-0.3 -2,-0.5 -1,-0.2 0.956 56.5 -70.4 -81.6 -70.8 13.8 2.5 24.4 13 12 A D S > S+ 0 0 61 3,-0.5 3,-2.5 200,-0.0 -1,-0.4 -0.929 97.2 13.0-169.5 174.6 10.1 3.4 24.4 14 13 A D T 3 S- 0 0 115 -2,-0.3 22,-0.1 1,-0.3 21,-0.0 -0.161 131.4 -28.6 48.8-130.8 7.8 6.0 22.9 15 14 A R T 3 S+ 0 0 30 20,-0.4 15,-2.3 15,-0.1 2,-0.4 -0.264 111.0 117.8-109.3 48.7 9.8 7.9 20.2 16 15 A R E < - C 0 29A 64 -3,-2.5 -4,-2.3 13,-0.2 -3,-0.5 -0.919 38.8-176.0-122.8 136.1 13.2 7.4 22.0 17 16 A T E -BC 11 28A 0 11,-1.1 11,-2.4 -2,-0.4 2,-0.5 -0.907 16.2-142.4-129.3 153.4 16.3 5.5 20.8 18 17 A E E -BC 10 27A 67 -8,-2.4 -8,-2.1 -2,-0.3 2,-0.4 -0.982 10.0-155.0-117.4 123.3 19.7 4.6 22.4 19 18 A V E -BC 9 26A 1 7,-3.6 7,-2.8 -2,-0.5 2,-0.5 -0.812 10.7-167.4 -91.1 131.1 22.9 4.6 20.3 20 19 A S E +BC 8 25A 24 -12,-3.1 -12,-2.2 -2,-0.4 2,-0.4 -0.992 14.8 167.5-120.0 121.9 25.7 2.4 21.6 21 20 A V E > S- C 0 24A 14 3,-1.7 3,-2.5 -2,-0.5 -14,-0.1 -0.954 71.3 -49.9-132.2 114.8 29.2 2.7 20.3 22 21 A G T 3 S- 0 0 63 -2,-0.4 159,-0.0 1,-0.3 160,-0.0 -0.427 123.2 -23.2 56.4-126.8 31.7 0.7 22.4 23 22 A D T 3 S+ 0 0 157 -3,-0.1 -1,-0.3 -2,-0.1 2,-0.3 0.417 114.9 108.9 -90.6 -3.0 31.0 1.8 26.0 24 23 A H E < -C 21 0A 62 -3,-2.5 -3,-1.7 157,-0.0 2,-0.4 -0.556 49.5-166.5 -77.7 136.4 29.4 5.1 24.9 25 24 A R E +C 20 0A 132 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.993 7.6 178.9-124.2 130.9 25.6 5.4 25.3 26 25 A I E -C 19 0A 17 -7,-2.8 -7,-3.6 -2,-0.4 2,-0.6 -0.991 22.2-140.9-135.2 128.3 23.7 8.2 23.6 27 26 A E E +C 18 0A 46 -2,-0.4 14,-0.7 -9,-0.2 2,-0.4 -0.766 24.7 176.8 -86.3 122.9 19.9 9.0 23.7 28 27 A V E +Cd 17 41A 0 -11,-2.4 -11,-1.1 -2,-0.6 14,-0.2 -0.983 10.1 167.1-131.8 123.3 18.7 10.1 20.3 29 28 A D E -C 16 0A 0 12,-2.8 -13,-0.2 -2,-0.4 7,-0.1 -0.718 43.1 -83.3-130.4 165.4 14.9 10.8 19.9 30 29 A S - 0 0 4 -15,-2.3 -15,-0.1 -2,-0.2 -1,-0.1 -0.446 57.4-108.7 -58.4 151.0 12.4 12.3 17.7 31 30 A P > > - 0 0 2 0, 0.0 5,-2.2 0, 0.0 3,-1.8 -0.337 34.9 -94.9 -72.7 167.9 12.1 16.0 18.4 32 31 A P G > 5S+ 0 0 45 0, 0.0 3,-1.8 0, 0.0 6,-0.1 0.871 123.9 63.7 -53.2 -38.9 9.1 17.4 20.1 33 32 A E G 3 5S+ 0 0 87 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.740 111.0 39.7 -58.4 -19.8 7.4 18.3 16.7 34 33 A F G < 5S- 0 0 55 -3,-1.8 -1,-0.3 -19,-0.1 -4,-0.1 0.033 133.2 -83.4-122.2 25.0 7.4 14.5 16.0 35 34 A G T < 5S+ 0 0 53 -3,-1.8 -20,-0.4 1,-0.3 -2,-0.1 0.636 86.2 126.5 91.1 16.4 6.5 13.2 19.4 36 35 A G < - 0 0 15 -5,-2.2 -1,-0.3 1,-0.1 2,-0.1 -0.470 61.0 -91.3 -98.0 172.2 9.8 13.1 21.3 37 36 A P - 0 0 46 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.409 38.8-105.7 -79.9 159.9 10.8 14.6 24.6 38 37 A E S S+ 0 0 156 1,-0.2 3,-0.1 -7,-0.1 0, 0.0 -0.429 95.0 32.0 -75.0 154.5 12.3 18.0 25.2 39 38 A G S S+ 0 0 54 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.681 93.5 104.5 78.5 21.9 16.0 18.5 26.1 40 39 A Q S S- 0 0 58 -3,-0.5 -1,-0.2 -10,-0.1 2,-0.2 -0.818 76.0 -87.0-125.4 164.4 17.5 15.5 24.2 41 40 A L B -d 28 0A 7 -14,-0.7 -12,-2.8 -2,-0.3 3,-0.0 -0.492 42.4-170.9 -66.4 145.3 19.5 14.9 21.1 42 41 A Y >> - 0 0 21 -14,-0.2 4,-3.0 -2,-0.2 3,-1.2 -0.908 37.5-113.7-132.9 155.5 17.5 14.5 17.8 43 42 A P H 3> S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 -13,-0.1 0.895 115.3 64.8 -59.9 -33.3 18.6 13.4 14.3 44 43 A E H 34 S+ 0 0 4 1,-0.2 102,-0.2 2,-0.2 35,-0.1 0.683 116.1 26.4 -59.4 -26.2 17.8 17.0 13.2 45 44 A T H <> S+ 0 0 8 -3,-1.2 4,-1.8 3,-0.1 -1,-0.2 0.726 122.2 50.8-102.6 -39.6 20.5 18.5 15.4 46 45 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.895 108.2 50.6 -68.2 -42.1 23.0 15.6 15.7 47 46 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.957 112.5 45.5 -67.4 -47.9 23.3 14.8 11.9 48 47 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.900 113.9 52.1 -59.3 -36.5 24.0 18.5 11.0 49 48 A S H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.907 108.5 48.5 -63.6 -40.1 26.5 18.6 13.9 50 49 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.888 107.7 56.1 -70.7 -36.0 28.3 15.5 12.7 51 50 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.952 110.2 45.7 -52.5 -51.8 28.4 17.0 9.2 52 51 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.848 111.0 51.8 -63.0 -37.5 30.2 20.1 10.8 53 52 A S H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.909 110.1 49.3 -63.3 -42.5 32.5 17.9 12.9 54 53 A C H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.918 108.3 53.3 -64.0 -42.0 33.5 16.0 9.7 55 54 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.934 113.0 46.0 -52.9 -46.0 34.1 19.3 7.8 56 55 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.943 111.1 48.6 -67.5 -50.1 36.4 20.3 10.7 57 56 A T H X S+ 0 0 3 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.887 113.2 49.4 -60.7 -33.5 38.3 17.0 10.9 58 57 A T H X S+ 0 0 9 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.933 111.1 49.4 -67.2 -46.5 38.8 17.1 7.1 59 58 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.908 106.7 56.0 -55.1 -44.2 40.1 20.7 7.3 60 59 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.876 105.1 52.4 -60.9 -34.6 42.5 19.6 10.1 61 60 A E H X S+ 0 0 31 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.913 114.6 42.5 -65.5 -42.4 44.0 17.0 7.7 62 61 A F H X S+ 0 0 25 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.845 108.6 56.8 -73.1 -34.6 44.5 19.6 5.1 63 62 A K H <>S+ 0 0 25 -4,-2.9 5,-2.5 2,-0.2 4,-0.3 0.894 110.8 45.1 -66.9 -35.3 45.8 22.3 7.4 64 63 A D H ><5S+ 0 0 79 -4,-1.6 3,-0.7 -5,-0.2 -1,-0.2 0.871 111.9 52.7 -72.2 -39.2 48.6 20.0 8.6 65 64 A R H 3<5S+ 0 0 164 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.824 115.5 40.5 -60.9 -31.8 49.3 19.0 5.0 66 65 A X T 3<5S- 0 0 56 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.296 110.2-115.2-103.0 2.4 49.6 22.6 4.0 67 66 A G T < 5 + 0 0 55 -3,-0.7 2,-0.4 -4,-0.3 -3,-0.2 0.812 58.1 157.3 63.6 31.2 51.6 23.9 7.0 68 67 A I < - 0 0 7 -5,-2.5 2,-1.0 -6,-0.2 -1,-0.2 -0.725 39.4-137.2 -85.3 135.2 48.8 26.2 8.2 69 68 A N - 0 0 93 -2,-0.4 34,-1.1 34,-0.1 2,-0.4 -0.802 19.7-158.3 -97.0 101.3 49.0 27.1 11.9 70 69 A L E +G 102 0B 10 -2,-1.0 32,-0.2 32,-0.2 3,-0.1 -0.686 18.1 175.9 -84.1 127.4 45.4 26.9 13.2 71 70 A K E - 0 0 125 30,-3.3 2,-0.3 -2,-0.4 31,-0.2 0.807 64.5 -10.0 -97.7 -41.5 44.7 28.9 16.3 72 71 A S E -G 101 0B 40 29,-1.7 29,-2.5 68,-0.1 -1,-0.4 -0.996 49.2-166.0-157.0 157.4 41.0 28.4 16.8 73 72 A W E +G 100 0B 2 79,-0.3 79,-2.5 -2,-0.3 2,-0.4 -0.917 13.9 165.5-150.9 121.2 37.9 27.0 15.1 74 73 A N E -GH 99 151B 85 25,-1.9 25,-3.2 -2,-0.3 2,-0.4 -0.994 12.0-170.8-131.8 137.9 34.3 27.6 16.1 75 74 A S E -GH 98 150B 6 75,-1.4 75,-2.3 -2,-0.4 2,-0.5 -0.990 16.0-152.6-137.0 144.0 31.2 26.9 14.0 76 75 A H E -GH 97 149B 61 21,-2.5 21,-2.6 -2,-0.4 2,-0.4 -0.959 18.1-158.0-110.4 132.0 27.6 27.6 14.1 77 76 A V E -GH 96 148B 0 71,-3.1 71,-2.1 -2,-0.5 2,-0.4 -0.902 10.3-175.3-117.6 130.1 25.2 25.2 12.3 78 77 A T E -GH 95 147B 29 17,-2.4 17,-2.9 -2,-0.4 2,-0.4 -0.989 5.3-170.7-126.5 117.8 21.7 25.9 11.2 79 78 A A E -GH 94 146B 1 67,-3.0 67,-2.7 -2,-0.4 2,-0.5 -0.918 5.3-159.9-109.0 132.5 19.7 23.1 9.6 80 79 A E E -GH 93 145B 40 13,-3.0 12,-2.6 -2,-0.4 13,-1.4 -0.967 6.1-169.9-119.0 120.5 16.3 23.8 7.9 81 80 A L E +GH 91 144B 5 63,-2.3 63,-1.8 -2,-0.5 10,-0.2 -0.839 19.5 148.9-104.1 143.1 13.8 20.9 7.5 82 81 A G E -G 90 0B 4 8,-2.6 8,-2.4 -2,-0.3 61,-0.1 -0.962 47.3 -48.1-158.8 179.7 10.7 21.3 5.3 83 82 A P E -G 89 0B 84 0, 0.0 6,-0.3 0, 0.0 5,-0.1 -0.205 49.8-141.8 -54.5 141.1 8.2 19.7 3.0 84 83 A S > - 0 0 12 4,-2.4 3,-1.6 1,-0.1 8,-0.0 -0.855 16.8-130.2-102.9 144.7 9.5 17.5 0.2 85 84 A P T 3 S+ 0 0 128 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.663 112.7 62.4 -61.6 -13.6 8.0 17.3 -3.3 86 85 A E T 3 S- 0 0 111 1,-0.3 3,-0.1 2,-0.0 2,-0.0 0.145 124.5 -99.8 -92.7 14.2 8.2 13.5 -2.7 87 86 A K S < S+ 0 0 142 -3,-1.6 -1,-0.3 1,-0.2 2,-0.0 0.054 91.9 44.8 73.7 165.5 5.7 13.9 0.3 88 87 A G S S- 0 0 31 -3,-0.1 -4,-2.4 -5,-0.1 2,-0.3 -0.333 98.4 -58.5 66.9-148.1 6.8 14.0 3.8 89 88 A F E -G 83 0B 84 172,-0.4 2,-0.3 -6,-0.3 -8,-0.0 -0.829 42.4-177.1-133.7 162.5 9.8 16.1 4.8 90 89 A K E -G 82 0B 49 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.5 -0.968 41.7 -90.8-148.9 158.7 13.5 16.6 4.0 91 90 A F E -G 81 0B 3 172,-0.4 -10,-0.3 -2,-0.3 3,-0.1 -0.695 39.3-177.5 -66.8 122.8 16.5 18.6 5.0 92 91 A H E + 0 0 55 -12,-2.6 40,-2.3 -2,-0.5 2,-0.3 0.881 62.1 1.0 -86.4 -45.7 16.4 21.6 2.6 93 92 A R E -Gi 80 132B 117 -13,-1.4 -13,-3.0 38,-0.2 2,-0.4 -0.998 48.8-165.2-149.9 140.6 19.6 23.4 3.8 94 93 A I E -Gi 79 133B 0 38,-2.5 40,-2.5 -2,-0.3 2,-0.4 -0.992 15.7-167.0-127.0 125.8 22.4 23.1 6.2 95 94 A K E -Gi 78 134B 30 -17,-2.9 -17,-2.4 -2,-0.4 2,-0.4 -0.921 5.1-172.0-111.3 135.0 24.5 26.2 6.9 96 95 A I E -Gi 77 135B 1 38,-2.6 40,-2.2 -2,-0.4 2,-0.6 -0.986 3.1-168.4-128.8 115.3 27.8 26.2 8.7 97 96 A H E -Gi 76 136B 60 -21,-2.6 -21,-2.5 -2,-0.4 2,-0.4 -0.940 11.7-159.3-106.9 119.6 29.4 29.5 9.6 98 97 A V E -Gi 75 137B 0 38,-3.0 40,-2.3 -2,-0.6 2,-0.7 -0.794 15.6-157.5-103.6 131.6 33.0 29.2 10.8 99 98 A K E -Gi 74 138B 104 -25,-3.2 -25,-1.9 -2,-0.4 2,-0.5 -0.937 25.7-168.2-104.0 112.9 35.0 31.6 12.8 100 99 A I E -Gi 73 139B 0 38,-2.6 40,-2.2 -2,-0.7 2,-0.6 -0.882 15.6-159.5-109.9 126.2 38.6 30.7 12.1 101 100 A G E +G 72 0B 2 -29,-2.5 -30,-3.3 -2,-0.5 -29,-1.7 -0.942 29.9 150.2-102.9 116.7 41.7 32.0 13.9 102 101 A V E -G 70 0B 4 -2,-0.6 -32,-0.2 38,-0.4 5,-0.1 -0.964 53.1 -85.4-135.2 156.5 44.9 31.7 11.9 103 102 A N >> - 0 0 50 -34,-1.1 3,-2.1 -2,-0.3 4,-0.5 -0.343 43.8-118.9 -50.1 136.4 48.3 33.5 11.5 104 103 A D G >4 S+ 0 0 126 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.841 113.5 61.1 -51.9 -35.5 47.9 36.4 9.1 105 104 A E G 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.686 102.7 52.8 -66.7 -19.4 50.5 34.8 6.8 106 105 A D G X4 S+ 0 0 5 -3,-2.1 3,-1.6 1,-0.1 4,-0.4 0.563 81.8 90.4 -92.5 -8.2 48.2 31.8 6.4 107 106 A K G X< S+ 0 0 65 -3,-1.2 3,-1.5 -4,-0.5 -1,-0.1 0.850 79.5 59.3 -63.9 -37.3 45.0 33.6 5.4 108 107 A E G 3 S+ 0 0 166 -4,-0.4 4,-0.3 1,-0.3 -1,-0.3 0.694 105.1 52.9 -64.0 -19.6 45.8 33.5 1.6 109 108 A K G <> S+ 0 0 79 -3,-1.6 4,-2.3 1,-0.1 -1,-0.3 0.535 88.9 81.2 -87.2 -12.3 45.8 29.6 1.9 110 109 A I H <> S+ 0 0 0 -3,-1.5 4,-3.1 -4,-0.4 5,-0.3 0.888 80.6 60.5 -72.6 -37.1 42.4 29.4 3.6 111 110 A P H > S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.938 113.3 39.7 -54.9 -44.0 40.2 29.6 0.5 112 111 A R H > S+ 0 0 149 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.919 113.8 53.0 -70.9 -41.1 41.9 26.5 -0.9 113 112 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.899 113.4 44.6 -57.6 -42.6 42.0 24.7 2.5 114 113 A X H X S+ 0 0 13 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.865 111.7 52.2 -67.3 -42.7 38.3 25.3 2.9 115 114 A Q H X S+ 0 0 77 -4,-2.1 4,-2.7 -5,-0.3 -2,-0.2 0.940 113.3 44.8 -54.7 -50.6 37.5 24.3 -0.7 116 115 A L H X S+ 0 0 15 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.907 111.5 52.7 -62.7 -45.4 39.4 21.0 -0.1 117 116 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.948 114.2 42.5 -57.3 -45.2 37.8 20.4 3.3 118 117 A E H < S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.909 115.1 50.1 -71.0 -37.8 34.3 20.8 1.8 119 118 A K H < S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.905 119.5 34.6 -64.2 -44.9 35.1 18.8 -1.3 120 119 A Y H < S+ 0 0 35 -4,-2.6 110,-0.4 -5,-0.2 -1,-0.2 0.554 82.6 118.7 -93.8 -14.5 36.6 15.8 0.5 121 120 A C X - 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