==== 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 3T3N . 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. . 550 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 11.1 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 . 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 . 49 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 2 3 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 5 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 PARALLEL BRIDGES PER LADDER . 3 0 1 2 3 3 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 3 0 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 5 A G > 0 0 62 0, 0.0 3,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.9 47.6 -19.1 18.7 2 6 A P T 3 + 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.562 360.0 66.1 -72.7 -4.9 44.4 -21.0 19.6 3 7 A Q T 3 S+ 0 0 144 426,-0.0 2,-0.1 2,-0.0 0, 0.0 0.753 77.2 100.6 -83.6 -28.3 44.4 -19.4 23.1 4 8 A D < + 0 0 41 -3,-0.9 426,-0.4 155,-0.1 2,-0.3 -0.404 48.8 153.8 -65.3 129.5 43.7 -15.8 21.8 5 9 A H - 0 0 33 -2,-0.1 22,-0.6 424,-0.1 2,-0.5 -0.990 40.2-126.9-157.2 153.1 40.0 -14.7 22.1 6 10 A V E -AB 26 428A 0 422,-3.1 422,-2.4 -2,-0.3 2,-0.5 -0.915 19.9-150.5-106.9 126.1 37.7 -11.6 22.4 7 11 A E E -AB 25 427A 43 18,-2.2 18,-2.3 -2,-0.5 2,-0.5 -0.842 10.2-167.8 -95.0 126.5 35.2 -11.5 25.3 8 12 A I E +AB 24 426A 0 418,-2.3 418,-1.8 -2,-0.5 16,-0.2 -0.981 8.6 177.1-118.7 113.5 32.1 -9.5 24.5 9 13 A I E -A 23 0A 1 14,-2.8 14,-1.6 -2,-0.5 2,-0.6 -0.924 12.2-162.6-121.3 105.9 29.9 -8.7 27.6 10 14 A P E -A 22 0A 0 0, 0.0 413,-3.1 0, 0.0 414,-0.5 -0.768 7.5-173.9 -89.0 121.7 26.7 -6.6 27.1 11 15 A L E S- 0 0 1 10,-1.6 42,-0.5 -2,-0.6 431,-0.4 0.371 75.0 -8.0 -92.1 5.1 25.4 -5.2 30.5 12 16 A G E S+A 21 0A 0 9,-0.9 9,-2.0 40,-0.1 -1,-0.3 -0.862 101.4 69.2 172.2 156.9 22.4 -3.8 28.7 13 17 A G S S+ 0 0 0 1,-0.3 381,-1.1 5,-0.3 382,-0.7 0.127 73.9 107.4 106.8 -18.8 20.8 -3.3 25.3 14 18 A M E S+h 395 0B 6 1,-0.2 408,-0.3 379,-0.2 -1,-0.3 -0.759 87.8 5.3 -96.6 139.3 20.2 -7.0 24.4 15 19 A G E S+h 396 0B 29 380,-1.1 382,-0.5 -2,-0.3 381,-0.3 0.638 131.4 58.1 63.2 17.2 16.7 -8.5 24.4 16 20 A E B S-I 395 0B 33 379,-0.6 379,-1.1 -3,-0.4 -1,-0.2 -0.878 82.3-122.3-155.9 179.4 15.5 -4.9 25.0 17 21 A I S S+ 0 0 59 -2,-0.2 3,-0.2 377,-0.2 -1,-0.1 0.858 82.0 50.8-102.0 -48.3 15.7 -1.4 23.4 18 22 A G S S+ 0 0 15 1,-0.2 20,-0.3 21,-0.1 -5,-0.3 0.155 81.4 48.6 -81.7-167.8 17.3 0.8 26.2 19 23 A K - 0 0 26 18,-2.8 2,-0.2 1,-0.2 19,-0.2 0.724 68.6-166.5 39.4 45.8 20.3 1.0 28.5 20 24 A N + 0 0 0 55,-1.7 16,-1.9 17,-0.3 -7,-0.3 -0.402 22.6 151.0 -63.8 119.7 22.9 0.1 25.8 21 25 A I E -A 12 0A 0 -9,-2.0 -10,-1.6 14,-0.2 -9,-0.9 -0.854 17.7-176.1-154.5 113.5 26.3 -0.9 27.2 22 26 A T E -AC 10 33A 0 11,-3.0 11,-3.8 12,-0.3 2,-0.5 -0.956 9.6-156.1-118.2 133.6 28.7 -3.2 25.5 23 27 A V E -AC 9 32A 0 -14,-1.6 -14,-2.8 -2,-0.4 2,-0.4 -0.948 7.8-170.3-113.1 130.8 32.0 -4.5 27.0 24 28 A F E +AC 8 31A 0 7,-3.1 7,-2.8 -2,-0.5 2,-0.3 -0.980 9.9 178.4-120.7 131.2 34.9 -5.7 24.7 25 29 A R E -AC 7 30A 26 -18,-2.3 -18,-2.2 -2,-0.4 2,-0.3 -0.987 19.0-177.6-137.1 147.4 38.0 -7.4 26.1 26 30 A F E > S-AC 6 29A 1 3,-1.7 3,-2.7 -2,-0.3 2,-0.2 -0.981 72.5 -44.5-140.9 126.0 41.3 -9.0 24.8 27 31 A R T 3 S- 0 0 141 -22,-0.6 -20,-0.0 -2,-0.3 109,-0.0 -0.318 126.4 -23.0 50.8-105.5 43.7 -10.6 27.4 28 32 A D T 3 S+ 0 0 92 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.061 115.0 96.8-122.2 26.0 43.7 -7.9 30.1 29 33 A E E < -C 26 0A 29 -3,-2.7 -3,-1.7 35,-0.1 2,-0.3 -0.969 52.1-169.1-120.1 116.3 42.6 -4.7 28.2 30 34 A I E -Cd 25 64A 0 33,-2.6 35,-3.7 -2,-0.5 36,-0.8 -0.808 8.5-174.8-105.4 145.6 38.9 -3.7 28.3 31 35 A F E -Cd 24 66A 0 -7,-2.8 -7,-3.1 -2,-0.3 2,-0.4 -0.993 14.9-144.9-137.6 136.2 37.0 -1.1 26.3 32 36 A V E -Cd 23 67A 0 34,-1.9 36,-3.0 -2,-0.3 2,-0.6 -0.893 1.4-151.6-106.7 134.4 33.4 -0.1 26.9 33 37 A L E -Cd 22 68A 0 -11,-3.8 -11,-3.0 -2,-0.4 36,-0.2 -0.930 63.7 -26.8-107.7 107.1 31.0 0.8 24.1 34 38 A D - 0 0 0 34,-2.6 -12,-0.3 -2,-0.6 2,-0.3 0.472 51.2-128.5 67.0 154.9 28.3 3.2 25.4 35 39 A G - 0 0 0 41,-2.7 44,-1.5 -14,-0.1 45,-1.2 -0.776 39.8-168.2-137.0 82.2 26.7 3.9 28.8 36 40 A G - 0 0 0 -16,-1.9 2,-0.3 -2,-0.3 39,-0.2 -0.102 18.4-142.6 -77.4 170.7 22.9 3.7 28.4 37 41 A L - 0 0 3 37,-0.4 -18,-2.8 14,-0.1 -17,-0.3 -0.921 13.4-154.5-128.8 148.0 19.8 4.6 30.3 38 42 A A B -J 50 0C 10 12,-2.5 12,-2.2 -2,-0.3 -26,-0.0 -0.843 9.3-133.5-123.6 161.1 16.4 2.7 30.4 39 43 A F - 0 0 137 -2,-0.3 10,-0.1 10,-0.2 3,-0.1 -0.833 7.1-145.0-115.0 151.9 12.8 3.8 31.2 40 44 A P + 0 0 17 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.911 47.3 130.2 -78.5 -93.0 10.1 2.1 33.4 41 45 A E + 0 0 98 3,-0.4 -2,-0.0 1,-0.2 0, 0.0 0.147 57.4 91.2 60.1 -15.9 6.4 2.3 32.3 42 46 A E S S- 0 0 148 -2,-0.7 -1,-0.2 -3,-0.1 298,-0.0 0.930 121.0 -53.9 -69.2 -51.1 6.0 -1.6 32.8 43 47 A G S S+ 0 0 45 1,-0.0 -1,-0.1 0, 0.0 420,-0.0 0.086 99.1 120.8 169.1 50.2 4.8 -1.3 36.4 44 48 A M - 0 0 51 3,-0.1 -3,-0.4 419,-0.0 2,-0.2 -0.890 43.5-160.7-129.4 94.8 7.3 0.7 38.4 45 49 A P S S+ 0 0 76 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.580 70.1 14.3 -85.4 146.2 5.9 3.9 40.0 46 50 A G S S+ 0 0 58 1,-0.3 2,-0.1 -2,-0.2 408,-0.0 -0.192 90.5 123.1 91.3 -38.9 8.0 6.9 41.2 47 51 A V - 0 0 13 -2,-0.2 -1,-0.3 1,-0.1 400,-0.2 -0.350 41.0-171.3 -57.1 124.7 11.1 5.6 39.2 48 52 A D - 0 0 99 398,-1.7 2,-0.2 1,-0.3 399,-0.2 0.839 63.5 -17.8 -87.9 -41.5 12.3 8.4 36.8 49 53 A L E - K 0 446C 26 397,-1.6 397,-2.1 -10,-0.1 2,-0.3 -0.894 62.0-124.1-154.7 176.9 15.0 6.3 34.8 50 54 A L E -JK 38 445C 6 -12,-2.2 -12,-2.5 -2,-0.2 395,-0.2 -0.980 12.2-159.3-138.5 147.1 17.1 3.1 35.0 51 55 A I E - K 0 444C 0 393,-1.9 393,-2.5 -2,-0.3 -14,-0.1 -0.965 25.6-109.7-125.9 143.0 20.8 2.3 34.8 52 56 A P E - K 0 443C 0 0, 0.0 2,-1.0 0, 0.0 391,-0.3 -0.241 35.2-103.4 -69.7 160.6 22.6 -1.0 34.0 53 57 A R - 0 0 73 389,-1.7 3,-0.4 -42,-0.5 2,-0.3 -0.748 33.0-175.7 -90.0 99.6 24.6 -3.0 36.6 54 58 A V >> + 0 0 0 -2,-1.0 4,-1.5 1,-0.2 3,-0.6 -0.133 36.3 133.8 -86.4 36.6 28.3 -2.4 36.0 55 59 A D H 3> S+ 0 0 52 -2,-0.3 4,-1.3 1,-0.3 -1,-0.2 0.772 74.7 54.4 -58.2 -27.3 29.5 -4.9 38.7 56 60 A Y H 3> S+ 0 0 10 -3,-0.4 4,-0.9 384,-0.4 -1,-0.3 0.845 107.4 50.1 -71.6 -38.8 32.0 -6.2 36.1 57 61 A L H <4 S+ 0 0 0 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.754 107.0 52.5 -75.4 -25.0 33.3 -2.6 35.6 58 62 A I H >< S+ 0 0 64 -4,-1.5 3,-0.9 2,-0.2 -1,-0.2 0.919 111.5 48.3 -70.3 -46.4 33.8 -2.0 39.4 59 63 A E H 3< S+ 0 0 135 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.695 123.3 33.0 -62.9 -29.3 35.8 -5.3 39.6 60 64 A H T >X S+ 0 0 14 -4,-0.9 4,-1.3 1,-0.1 3,-0.8 0.051 70.9 136.9-122.8 26.0 37.9 -4.2 36.5 61 65 A R T <4 S+ 0 0 144 -3,-0.9 -1,-0.1 1,-0.2 -2,-0.1 0.471 79.3 47.3 -52.2 -5.0 38.1 -0.3 36.8 62 66 A H T 34 S+ 0 0 174 -3,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 0.772 103.3 55.5-105.6 -41.3 41.9 -0.6 35.9 63 67 A K T <4 S+ 0 0 63 -3,-0.8 -33,-2.6 -34,-0.1 2,-0.8 0.709 80.7 107.8 -66.0 -21.6 41.7 -2.9 32.8 64 68 A I E < +d 30 0A 4 -4,-1.3 -33,-0.2 -35,-0.2 3,-0.1 -0.461 44.6 174.1 -61.0 96.8 39.2 -0.3 31.3 65 69 A K E - 0 0 98 -35,-3.7 2,-0.3 -2,-0.8 69,-0.2 0.835 60.2 -12.6 -78.4 -36.4 41.6 1.3 28.7 66 70 A A E -d 31 0A 1 -36,-0.8 -34,-1.9 28,-0.2 2,-0.5 -0.979 52.6-132.8-163.8 156.2 38.9 3.5 27.0 67 71 A W E -de 32 96A 0 28,-2.8 30,-2.1 -2,-0.3 2,-0.4 -0.972 24.1-160.5-117.7 116.7 35.1 4.3 26.8 68 72 A V E -de 33 97A 0 -36,-3.0 -34,-2.6 -2,-0.5 2,-0.5 -0.855 0.8-157.9-103.7 130.7 33.7 4.8 23.2 69 73 A L - 0 0 0 28,-1.8 30,-0.4 -2,-0.4 3,-0.1 -0.942 10.7-169.1-116.0 118.4 30.4 6.6 22.6 70 74 A T - 0 0 0 -2,-0.5 82,-2.0 1,-0.2 2,-0.3 0.821 69.9 -17.0 -68.5 -41.8 28.4 6.0 19.3 71 75 A H - 0 0 0 80,-0.2 -1,-0.2 2,-0.1 80,-0.1 -0.972 63.3-103.0-164.0 162.6 25.8 8.9 19.8 72 76 A G + 0 0 0 77,-0.4 2,-0.1 -2,-0.3 5,-0.1 0.169 69.4 126.3 -80.4 15.0 24.3 11.4 22.3 73 77 A A >> - 0 0 7 1,-0.1 3,-2.1 75,-0.1 4,-1.9 -0.490 69.7-118.8 -76.7 147.1 20.9 9.7 22.9 74 78 A E H 3> S+ 0 0 55 1,-0.3 4,-2.2 2,-0.2 -37,-0.4 0.817 113.9 61.9 -52.4 -37.4 19.9 9.0 26.6 75 79 A D H 34 S+ 0 0 33 -39,-0.2 -55,-1.7 1,-0.2 -1,-0.3 0.398 118.6 30.8 -71.9 5.4 19.8 5.2 25.9 76 80 A H H <4 S+ 0 0 0 -3,-2.1 -41,-2.7 -41,-0.2 -2,-0.2 0.550 136.4 20.7-131.6 -29.0 23.5 5.5 25.0 77 81 A I H < S+ 0 0 0 -4,-1.9 -3,-0.2 -43,-0.2 -41,-0.2 0.204 99.2 87.1-129.9 12.3 24.9 8.4 27.3 78 82 A G S < S+ 0 0 1 -4,-2.2 -42,-0.2 -5,-0.3 -3,-0.1 0.761 84.2 53.7 -84.8 -30.6 22.3 8.6 30.1 79 83 A G S >> S+ 0 0 0 -44,-1.5 4,-2.5 -5,-0.4 3,-2.5 0.836 87.8 84.2 -72.2 -35.3 23.7 6.1 32.5 80 84 A L H 3> S+ 0 0 0 -45,-1.2 4,-2.6 1,-0.3 -1,-0.2 0.739 80.3 58.2 -41.4 -44.7 27.2 7.7 32.6 81 85 A P H 34 S+ 0 0 10 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.604 122.9 30.1 -67.9 -4.7 26.6 10.4 35.3 82 86 A F H <> S+ 0 0 18 -3,-2.5 4,-0.8 -4,-0.1 -2,-0.3 0.672 123.5 47.3-114.7 -40.1 25.7 7.4 37.6 83 87 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 3,-0.3 0.918 108.5 53.9 -71.8 -48.1 27.9 4.7 36.0 84 88 A L H X>S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 5,-1.2 0.939 109.0 46.8 -56.1 -53.3 31.2 6.8 35.9 85 89 A P H 45S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.765 112.6 52.0 -61.5 -25.6 31.2 7.8 39.7 86 90 A M H <5S+ 0 0 66 -4,-0.8 -2,-0.2 -3,-0.3 -3,-0.1 0.886 118.0 35.8 -72.7 -43.5 30.5 4.2 40.6 87 91 A I H <5S+ 0 0 1 -4,-1.9 -3,-0.1 -3,-0.3 -26,-0.1 0.994 137.8 7.4 -73.8 -72.7 33.4 2.8 38.6 88 92 A F T <5S- 0 0 25 -4,-1.5 3,-0.3 1,-0.3 2,-0.2 0.667 98.1-131.1 -88.7 -25.1 36.3 5.3 38.8 89 93 A G < - 0 0 23 -5,-1.2 -1,-0.3 1,-0.2 -2,-0.1 -0.542 60.6 -23.3 99.0-166.9 35.0 7.7 41.3 90 94 A K S S+ 0 0 158 -2,-0.2 2,-0.3 -5,-0.1 -1,-0.2 0.663 129.9 24.5 -52.1 -24.6 34.8 11.6 41.1 91 95 A E + 0 0 152 -3,-0.3 29,-0.2 -6,-0.1 28,-0.1 -0.993 58.9 173.9-147.2 152.0 37.7 11.6 38.5 92 96 A S E - f 0 120A 13 27,-1.7 29,-1.1 -2,-0.3 -3,-0.0 -0.944 27.7-153.2-156.8 136.1 39.5 9.5 35.8 93 97 A P E + 0 0 114 0, 0.0 27,-0.1 0, 0.0 -1,-0.0 0.372 62.3 122.0 -89.5 7.8 42.2 9.9 33.2 94 98 A V E S- 0 0 22 1,-0.1 27,-0.7 -28,-0.0 2,-0.2 -0.534 72.0-111.9 -69.5 125.3 40.6 7.0 31.1 95 99 A P E - f 0 121A 20 0, 0.0 -28,-2.8 0, 0.0 2,-0.7 -0.458 26.0-163.5 -69.7 130.4 39.7 8.5 27.6 96 100 A I E -ef 67 122A 3 25,-3.8 27,-0.6 -2,-0.2 2,-0.2 -0.928 16.9-156.1-112.9 98.3 36.0 8.8 26.8 97 101 A Y E +ef 68 123A 32 -30,-2.1 -28,-1.8 -2,-0.7 2,-0.3 -0.543 28.1 131.5 -80.5 144.7 35.7 9.2 23.0 98 102 A G E - f 0 124A 0 25,-1.1 27,-2.8 -2,-0.2 -28,-0.1 -0.956 52.0 -86.6-178.2 164.9 32.8 10.8 21.2 99 103 A A > - 0 0 1 -30,-0.4 4,-2.3 51,-0.3 5,-0.4 -0.362 55.1 -92.6 -79.2 164.1 31.7 13.4 18.6 100 104 A R H > S+ 0 0 118 25,-0.2 4,-2.6 1,-0.2 5,-0.1 0.879 128.3 36.5 -43.4 -51.4 31.1 17.1 19.5 101 105 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.925 111.5 59.6 -67.9 -48.5 27.4 16.6 20.3 102 106 A T H > S+ 0 0 0 1,-0.2 4,-0.6 48,-0.2 -1,-0.2 0.829 118.6 32.0 -48.7 -39.6 27.8 13.1 21.8 103 107 A L H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.825 113.4 60.2 -89.7 -37.3 30.2 14.7 24.4 104 108 A G H X S+ 0 0 5 -4,-2.6 4,-2.0 -5,-0.4 -2,-0.2 0.853 107.9 46.3 -58.4 -38.8 28.5 18.1 24.6 105 109 A L H X S+ 0 0 1 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.853 114.4 48.0 -71.3 -37.1 25.2 16.5 25.8 106 110 A L H X S+ 0 0 0 -4,-0.6 4,-1.9 -5,-0.3 -2,-0.2 0.868 107.6 56.5 -68.7 -40.6 27.3 14.4 28.3 107 111 A R H >X S+ 0 0 105 -4,-3.0 4,-2.6 1,-0.2 3,-0.6 0.955 109.6 45.1 -55.2 -53.2 29.1 17.6 29.4 108 112 A G H 3X S+ 0 0 12 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.766 109.6 55.7 -61.0 -32.6 25.7 19.2 30.2 109 113 A K H 3X S+ 0 0 4 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.823 111.7 43.3 -70.5 -33.3 24.6 15.9 32.0 110 114 A L H << S+ 0 0 10 -4,-1.9 5,-0.4 -3,-0.6 -2,-0.2 0.873 109.5 55.9 -78.8 -37.3 27.6 16.1 34.2 111 115 A E H < S+ 0 0 136 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.733 112.5 46.3 -62.9 -24.5 27.0 19.9 34.7 112 116 A E H < S+ 0 0 92 -4,-0.9 2,-0.2 -5,-0.2 -2,-0.2 0.897 109.6 50.6 -82.4 -49.7 23.6 18.8 35.9 113 117 A F S < S- 0 0 108 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 -0.071 124.7 -90.8 -86.5 35.6 24.7 15.9 38.3 114 118 A G S S+ 0 0 48 -3,-0.3 2,-0.3 -2,-0.2 -3,-0.2 0.990 71.1 153.5 55.4 82.5 27.2 18.0 40.2 115 119 A L - 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