==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/RNA 25-JUL-11 3T3O . COMPND 2 MOLECULE: METAL DEPENDENT HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS HB27; . AUTHOR A.DORLEANS,I.LI DE LA SIERRA-GALLAY,J.PITON,L.ZIG,L.GILET,H. . 553 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 11.4 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 52 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 2 1 0 1 1 0 1 3 2 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 4 2 0 1 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 0 2 2 4 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 1 1 0 1 1 1 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 2 A S 0 0 81 0, 0.0 2,-0.2 0, 0.0 138,-0.0 0.000 360.0 360.0 360.0 148.3 49.1 -8.9 20.2 2 3 A Q - 0 0 144 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.849 360.0-137.6-159.3-171.2 49.1 -12.6 19.1 3 4 A G + 0 0 29 -2,-0.2 3,-0.3 160,-0.0 160,-0.1 -0.712 41.9 87.8-143.7-165.8 46.9 -15.5 17.9 4 5 A G S S- 0 0 28 -2,-0.2 429,-0.3 1,-0.2 -2,-0.0 -0.712 93.1 -35.1 104.4-152.4 46.0 -19.2 18.1 5 6 A P S S+ 0 0 130 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.872 134.0 51.3 -76.2 -36.1 43.6 -21.0 20.5 6 7 A Q S S+ 0 0 143 -3,-0.3 2,-0.4 426,-0.0 -2,-0.1 0.694 90.3 90.5 -74.6 -21.4 44.3 -18.9 23.6 7 8 A D + 0 0 20 22,-0.1 426,-0.3 155,-0.1 2,-0.3 -0.659 54.5 145.3 -82.8 129.2 43.7 -15.5 21.9 8 9 A H - 0 0 30 -2,-0.4 22,-0.5 424,-0.1 2,-0.4 -0.985 43.7-126.3-158.7 155.8 40.1 -14.3 22.1 9 10 A V E -A 431 0A 0 422,-2.9 422,-2.6 -2,-0.3 2,-0.5 -0.894 22.7-147.4-107.8 135.5 37.9 -11.1 22.4 10 11 A E E -AB 430 28A 35 18,-3.4 18,-2.6 -2,-0.4 2,-0.5 -0.944 8.3-164.4-110.0 119.5 35.3 -11.0 25.2 11 12 A I E +AB 429 27A 0 418,-2.4 418,-2.6 -2,-0.5 16,-0.2 -0.930 10.5 177.2-104.7 120.0 32.0 -9.1 24.5 12 13 A I E - B 0 26A 0 14,-3.1 14,-1.2 -2,-0.5 2,-0.4 -0.837 13.7-159.3-128.6 94.2 30.0 -8.2 27.6 13 14 A P E - B 0 25A 0 0, 0.0 413,-3.4 0, 0.0 414,-0.3 -0.598 10.3-178.4 -76.5 122.8 26.8 -6.2 27.1 14 15 A L E S- 0 0 1 10,-2.2 42,-0.4 -2,-0.4 431,-0.4 0.514 73.1 -4.8 -95.4 -6.3 25.8 -4.5 30.4 15 16 A G E S+ B 0 24A 0 9,-1.4 9,-1.5 40,-0.1 -1,-0.3 -0.945 104.7 61.1-175.3 162.0 22.7 -3.1 28.8 16 17 A G S S+ 0 0 0 5,-0.5 381,-1.1 1,-0.3 382,-0.5 0.371 74.5 112.2 90.9 -2.7 20.9 -2.8 25.5 17 18 A M S S+ 0 0 2 1,-0.2 408,-0.5 5,-0.2 -1,-0.3 -0.871 84.6 8.6-105.0 137.7 20.3 -6.5 24.9 18 19 A G S S+ 0 0 33 380,-0.9 382,-0.4 -2,-0.4 381,-0.3 0.643 131.8 55.3 68.7 15.1 16.9 -8.1 25.0 19 20 A E S S- 0 0 35 379,-0.7 -1,-0.3 -3,-0.3 379,-0.2 -0.888 82.6-118.8-157.9-178.2 15.7 -4.4 25.2 20 21 A I S S+ 0 0 59 -2,-0.2 3,-0.2 -3,-0.1 185,-0.1 0.766 84.1 49.5-106.1 -33.3 15.8 -1.0 23.4 21 22 A G S S+ 0 0 15 1,-0.1 -5,-0.5 21,-0.1 20,-0.3 -0.160 81.3 48.4 -99.6-170.2 17.4 1.4 26.0 22 23 A K - 0 0 16 18,-2.3 -5,-0.2 1,-0.2 19,-0.2 0.795 69.6-167.8 40.4 49.2 20.5 1.6 28.4 23 24 A N + 0 0 2 55,-1.6 16,-2.8 17,-0.3 -7,-0.3 -0.412 23.9 145.6 -66.9 129.9 23.0 0.6 25.8 24 25 A I E -B 15 0A 0 -9,-1.5 -10,-2.2 14,-0.2 -9,-1.4 -0.767 19.9-175.1-167.9 115.0 26.5 -0.3 27.1 25 26 A T E -BC 13 36A 3 11,-1.9 11,-2.9 -12,-0.3 2,-0.5 -0.964 13.0-147.3-121.4 139.4 28.7 -3.0 25.6 26 27 A V E -BC 12 35A 0 -14,-1.2 -14,-3.1 -2,-0.4 2,-0.5 -0.933 9.7-167.0-112.1 125.1 32.1 -4.1 27.0 27 28 A F E -BC 11 34A 0 7,-2.7 7,-2.3 -2,-0.5 2,-0.4 -0.962 10.6-178.5-115.3 125.6 34.9 -5.3 24.8 28 29 A R E +BC 10 33A 48 -18,-2.6 -18,-3.4 -2,-0.5 2,-0.3 -0.986 17.2 171.0-130.3 136.9 37.9 -7.0 26.2 29 30 A F E > S- C 0 32A 3 3,-1.7 3,-2.0 -2,-0.4 2,-0.2 -0.965 70.2 -46.0-140.5 120.2 41.2 -8.5 24.8 30 31 A R T 3 S- 0 0 96 -22,-0.5 -20,-0.0 -2,-0.3 -23,-0.0 -0.359 123.5 -17.3 58.4-117.0 43.8 -9.7 27.3 31 32 A D T 3 S+ 0 0 71 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.098 118.4 93.3-103.8 14.6 44.3 -7.0 30.1 32 33 A E E < -C 29 0A 11 -3,-2.0 -3,-1.7 35,-0.0 2,-0.4 -0.918 51.0-169.2-120.6 141.2 42.6 -4.2 28.2 33 34 A I E -Cd 28 67A 0 33,-2.7 35,-3.4 -2,-0.4 36,-0.8 -0.978 7.6-175.1-129.5 141.6 39.0 -2.9 28.1 34 35 A F E -Cd 27 69A 0 -7,-2.3 -7,-2.7 -2,-0.4 2,-0.4 -0.988 16.9-145.6-131.2 137.2 37.0 -0.4 25.9 35 36 A V E -Cd 26 70A 0 34,-1.9 36,-2.9 -2,-0.4 2,-0.7 -0.897 1.6-150.3-106.9 136.0 33.4 0.6 26.6 36 37 A L E -Cd 25 71A 3 -11,-2.9 -11,-1.9 -2,-0.4 36,-0.2 -0.927 63.9 -32.7-109.3 104.5 30.8 1.3 23.9 37 38 A D - 0 0 3 34,-2.8 -12,-0.2 -2,-0.7 2,-0.2 0.407 50.3-126.8 66.0 160.3 28.3 3.9 25.2 38 39 A G - 0 0 0 41,-2.8 44,-1.4 -14,-0.1 45,-1.3 -0.682 41.6-172.7-140.2 75.1 26.8 4.6 28.7 39 40 A G - 0 0 0 -16,-2.8 2,-0.3 39,-0.3 39,-0.2 -0.116 19.8-147.3 -74.9 169.3 23.1 4.5 28.2 40 41 A L - 0 0 2 37,-0.7 -18,-2.3 14,-0.1 -17,-0.3 -0.889 12.8-149.7-130.2 150.9 20.0 5.3 30.3 41 42 A A B -H 53 0B 9 12,-2.8 12,-1.9 -2,-0.3 36,-0.0 -0.883 8.1-134.6-125.5 158.1 16.5 3.6 30.1 42 43 A F - 0 0 127 -2,-0.3 10,-0.1 10,-0.2 -21,-0.1 -0.787 19.6-138.6-109.0 153.7 13.0 4.8 30.8 43 44 A P + 0 0 23 0, 0.0 -1,-0.2 0, 0.0 8,-0.1 0.438 45.0 127.8 -87.5-134.5 10.3 2.9 32.8 44 45 A E + 0 0 75 3,-0.4 -2,-0.0 6,-0.1 0, 0.0 0.986 48.1 99.4 73.0 74.4 6.4 2.3 32.4 45 46 A E S S- 0 0 142 299,-0.0 298,-0.0 0, 0.0 299,-0.0 0.297 116.5 -43.5-143.5 -32.7 5.8 -1.5 32.7 46 47 A G S S+ 0 0 46 1,-0.0 420,-0.1 0, 0.0 0, 0.0 0.187 102.7 121.3 155.0 53.0 4.7 -1.5 36.4 47 48 A M - 0 0 34 3,-0.1 -3,-0.4 418,-0.0 2,-0.2 -0.800 39.8-166.8-137.3 91.3 7.2 0.8 38.1 48 49 A P S S+ 0 0 72 0, 0.0 2,-0.4 0, 0.0 3,-0.1 -0.570 70.6 13.4 -85.9 146.5 5.8 3.9 40.0 49 50 A G S S+ 0 0 48 1,-0.3 2,-0.0 -2,-0.2 408,-0.0 -0.232 91.0 122.7 90.9 -42.4 8.0 6.8 41.2 50 51 A V + 0 0 12 -2,-0.4 -1,-0.3 1,-0.1 400,-0.2 -0.300 33.9 177.9 -54.2 126.2 11.0 5.6 39.2 51 52 A D + 0 0 91 398,-2.5 2,-0.3 1,-0.3 399,-0.2 0.822 62.6 11.4 -98.9 -47.3 12.2 8.4 36.8 52 53 A L E - I 0 449B 39 397,-2.2 397,-2.1 -10,-0.1 2,-0.4 -0.849 58.9-142.7-131.5 166.3 15.3 6.8 35.1 53 54 A L E -HI 41 448B 13 -12,-1.9 -12,-2.8 -2,-0.3 395,-0.2 -0.999 16.3-175.1-133.5 126.9 17.0 3.4 34.8 54 55 A I E - I 0 447B 0 393,-2.0 393,-2.0 -2,-0.4 -14,-0.1 -0.969 28.1-110.1-122.9 138.8 20.9 2.9 34.7 55 56 A P E - I 0 446B 0 0, 0.0 2,-0.8 0, 0.0 391,-0.2 -0.175 33.3-102.3 -65.3 163.2 22.7 -0.4 34.1 56 57 A R - 0 0 85 389,-1.7 3,-0.4 -42,-0.4 389,-0.2 -0.787 33.1-173.4 -89.7 105.1 24.7 -2.2 36.8 57 58 A V >> + 0 0 0 -2,-0.8 4,-2.0 1,-0.2 3,-0.6 -0.030 39.3 130.6 -89.6 28.9 28.4 -1.5 36.1 58 59 A D H 3> S+ 0 0 61 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.756 74.7 51.9 -53.6 -30.7 29.8 -3.9 38.8 59 60 A Y H 3> S+ 0 0 14 384,-0.4 4,-1.9 -3,-0.4 -1,-0.3 0.860 111.2 46.6 -73.8 -39.1 32.2 -5.4 36.2 60 61 A L H <4 S+ 0 0 0 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.779 110.7 51.8 -73.9 -30.7 33.5 -1.9 35.3 61 62 A I H >< S+ 0 0 48 -4,-2.0 3,-0.6 2,-0.2 -2,-0.2 0.888 113.8 44.6 -70.1 -43.1 33.9 -0.9 39.0 62 63 A E H 3< S+ 0 0 140 -4,-1.4 -2,-0.2 1,-0.2 3,-0.2 0.873 122.9 36.1 -67.7 -42.8 36.0 -4.1 39.6 63 64 A H T >X S+ 0 0 37 -4,-1.9 3,-2.4 1,-0.2 4,-0.6 0.108 76.7 134.9-100.8 19.6 38.1 -3.7 36.4 64 65 A R T <4 S+ 0 0 144 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.500 72.1 51.0 -45.3 -16.4 38.2 0.2 36.6 65 66 A H T 34 S+ 0 0 174 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.643 99.7 60.8 -99.6 -21.6 42.0 0.2 35.8 66 67 A K T <4 S+ 0 0 56 -3,-2.4 -33,-2.7 -6,-0.1 2,-0.6 0.570 78.1 109.9 -79.2 -13.8 41.8 -2.0 32.6 67 68 A I E < +d 33 0A 6 -4,-0.6 -33,-0.2 -35,-0.2 3,-0.1 -0.567 40.3 175.0 -72.0 109.8 39.5 0.6 31.0 68 69 A K E - 0 0 79 -35,-3.4 2,-0.3 -2,-0.6 69,-0.2 0.763 62.7 -13.5 -86.3 -29.5 41.6 2.2 28.2 69 70 A A E -d 34 0A 1 -36,-0.8 -34,-1.9 28,-0.2 2,-0.5 -0.949 51.4-129.9-171.0 153.6 38.8 4.4 26.7 70 71 A W E -de 35 99A 0 28,-2.7 30,-2.4 -2,-0.3 2,-0.5 -0.960 26.6-161.8-113.4 113.3 35.1 5.2 26.6 71 72 A V E -de 36 100A 1 -36,-2.9 -34,-2.8 -2,-0.5 2,-0.5 -0.868 0.7-161.2-102.0 126.4 33.7 5.4 23.0 72 73 A L - 0 0 2 28,-2.8 30,-0.4 -2,-0.5 33,-0.1 -0.943 11.2-169.1-113.9 118.1 30.3 7.1 22.4 73 74 A T S S- 0 0 0 -2,-0.5 82,-2.7 1,-0.2 2,-0.3 0.760 70.8 -9.3 -72.4 -34.7 28.3 6.5 19.1 74 75 A H - 0 0 0 80,-0.2 -1,-0.2 2,-0.1 80,-0.1 -0.975 60.4-111.8-163.3 161.9 25.7 9.4 19.7 75 76 A G + 0 0 0 77,-0.4 2,-0.1 -2,-0.3 79,-0.1 0.210 68.7 124.5 -83.8 11.7 24.2 12.0 22.1 76 77 A A S >> S- 0 0 4 1,-0.1 3,-2.4 75,-0.1 4,-2.1 -0.488 73.5-113.1 -74.9 146.2 20.8 10.4 22.6 77 78 A E H 3> S+ 0 0 46 1,-0.3 4,-0.9 2,-0.2 -37,-0.7 0.757 115.7 58.9 -45.8 -38.6 19.7 9.6 26.3 78 79 A D H 34 S+ 0 0 32 -39,-0.2 -55,-1.6 1,-0.2 -39,-0.3 0.325 117.1 33.4 -80.2 8.9 19.8 5.8 25.7 79 80 A H H <4 S+ 0 0 0 -3,-2.4 -41,-2.8 -41,-0.2 -2,-0.2 0.550 138.3 13.9-129.7 -29.0 23.5 6.1 24.7 80 81 A I H >< S+ 0 0 0 -4,-2.1 3,-1.4 -43,-0.2 -3,-0.2 0.666 100.0 88.4-119.2 -29.1 24.9 9.0 26.9 81 82 A G T 3< S+ 0 0 3 -4,-0.9 -42,-0.2 -5,-0.4 -3,-0.1 0.620 85.9 55.5 -46.0 -31.5 22.2 9.6 29.7 82 83 A G T >> S+ 0 0 0 -44,-1.4 4,-1.9 -5,-0.3 3,-1.0 0.788 86.5 82.4 -75.1 -32.5 23.6 7.0 32.1 83 84 A L H <> S+ 0 0 0 -3,-1.4 4,-2.8 -45,-1.3 2,-0.3 0.763 76.8 65.0 -46.6 -43.4 27.2 8.5 32.3 84 85 A P H 34 S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.176 119.7 29.1 -73.1 26.6 26.6 11.4 34.9 85 86 A F H <> S+ 0 0 23 -3,-1.0 4,-0.9 -2,-0.3 -2,-0.2 0.352 121.1 50.0-145.0 -41.3 25.9 8.4 37.3 86 87 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 5,-0.2 0.872 105.5 58.5 -73.6 -40.4 28.1 5.7 35.8 87 88 A L H X>S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-1.2 0.935 108.1 42.7 -59.5 -50.1 31.3 7.9 35.6 88 89 A P H 45S+ 0 0 49 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.812 113.9 54.6 -67.1 -26.1 31.4 8.8 39.4 89 90 A M H <5S+ 0 0 65 -4,-0.9 -2,-0.2 1,-0.1 -3,-0.1 0.830 119.2 31.9 -68.9 -38.4 30.6 5.1 40.3 90 91 A I H <5S+ 0 0 2 -4,-1.7 -3,-0.2 -3,-0.3 -1,-0.1 0.839 142.8 4.0 -88.8 -43.0 33.6 3.8 38.1 91 92 A F T <5S- 0 0 46 -4,-2.9 2,-0.2 -5,-0.2 -2,-0.1 0.713 95.4-120.8-116.6 -35.5 36.2 6.6 38.5 92 93 A G < - 0 0 24 -5,-1.2 -1,-0.2 1,-0.1 -3,-0.1 -0.475 61.5 -34.4 109.0 179.8 35.0 9.3 40.9 93 94 A K S S+ 0 0 134 -2,-0.2 26,-0.4 -5,-0.1 2,-0.3 0.362 130.5 27.6 -57.6 7.0 34.4 13.0 40.4 94 95 A E + 0 0 146 -7,-0.1 29,-0.2 -6,-0.1 28,-0.1 -0.956 62.0 174.3-166.4 149.6 37.4 13.1 37.9 95 96 A S E - f 0 123A 13 27,-2.2 29,-0.8 -2,-0.3 -3,-0.1 -0.935 28.8-150.6-159.8 138.8 39.3 10.8 35.5 96 97 A P E + 0 0 113 0, 0.0 27,-0.1 0, 0.0 3,-0.1 0.533 63.0 120.7 -87.9 -4.9 42.1 11.0 32.9 97 98 A V E S- 0 0 24 1,-0.1 27,-0.8 -28,-0.0 2,-0.4 -0.310 73.5-107.0 -57.5 131.1 40.6 8.1 30.9 98 99 A P E - f 0 124A 23 0, 0.0 -28,-2.7 0, 0.0 2,-0.7 -0.528 28.0-162.7 -74.5 126.9 39.7 9.3 27.2 99 100 A I E -ef 70 125A 5 25,-3.8 27,-2.8 -2,-0.4 2,-0.4 -0.917 13.1-159.5-107.1 103.2 36.0 9.7 26.4 100 101 A Y E +ef 71 126A 35 -30,-2.4 -28,-2.8 -2,-0.7 2,-0.3 -0.763 27.9 133.6 -91.7 132.6 35.7 9.8 22.6 101 102 A G E - f 0 127A 0 25,-1.2 27,-1.6 -2,-0.4 -28,-0.1 -0.961 52.1 -92.7-166.6 158.7 32.6 11.4 21.0 102 103 A A > - 0 0 4 -30,-0.4 4,-2.8 51,-0.3 5,-0.4 -0.295 52.4 -91.0 -74.7 163.7 31.6 13.7 18.2 103 104 A R H > S+ 0 0 115 25,-0.3 4,-2.3 1,-0.2 5,-0.1 0.848 128.2 40.9 -42.1 -51.9 31.0 17.5 18.7 104 105 A L H > S+ 0 0 0 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.907 114.2 53.0 -66.4 -44.8 27.3 17.1 19.5 105 106 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.929 118.3 35.2 -56.6 -52.1 27.8 13.9 21.6 106 107 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.841 114.2 59.2 -72.7 -32.3 30.4 15.6 23.9 107 108 A G H X S+ 0 0 8 -4,-2.3 4,-1.4 -5,-0.4 -2,-0.2 0.886 110.3 42.4 -60.4 -40.6 28.6 18.9 23.7 108 109 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.869 114.0 51.0 -73.4 -39.9 25.5 17.2 25.2 109 110 A L H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.873 105.2 57.5 -65.6 -38.1 27.6 15.2 27.8 110 111 A R H X S+ 0 0 81 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.951 110.3 44.0 -54.9 -51.6 29.3 18.5 28.9 111 112 A G H X S+ 0 0 23 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.856 115.1 49.1 -60.3 -41.7 25.8 19.9 29.7 112 113 A K H X S+ 0 0 7 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.901 114.7 43.2 -66.2 -46.3 24.8 16.7 31.4 113 114 A L H ><>S+ 0 0 0 -4,-3.2 5,-1.6 1,-0.2 3,-1.4 0.945 112.6 53.2 -64.8 -49.6 27.9 16.4 33.5 114 115 A E H ><5S+ 0 0 127 -4,-2.8 3,-1.0 1,-0.3 -2,-0.2 0.819 105.6 53.8 -55.2 -40.0 27.9 20.2 34.4 115 116 A E H 3<5S+ 0 0 117 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.652 102.0 60.0 -72.9 -15.8 24.3 20.0 35.7 116 117 A F T <<5S- 0 0 92 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.137 127.4 -90.9 -99.3 21.6 25.1 17.1 38.1 117 118 A G T < 5S+ 0 0 57 -3,-1.0 2,-0.2 1,-0.3 -3,-0.2 0.597 91.8 120.5 80.7 16.0 27.7 19.0 40.1 118 119 A L < - 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