==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/RNA 17-DEC-10 3Q1Q . COMPND 2 MOLECULE: RNASE P RNA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.J.REITER,A.OSTERMAN,A.TORRES-LARIOS,K.K.SWINGER,T.PAN,A.MO . 112 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 11.6 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 . 1 0.9 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 . 4 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 34.8 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+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 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 6 A T 0 0 111 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 96.8 35.2 -36.5 6.1 2 7 A R + 0 0 205 2,-0.2 0, 0.0 1,-0.2 0, 0.0 0.547 360.0 62.3 -73.0 -13.4 38.4 -37.8 4.2 3 8 A R S S+ 0 0 195 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.797 106.7 47.5 -78.2 -29.5 36.2 -39.3 1.4 4 9 A E S S+ 0 0 31 -3,-0.4 37,-1.5 36,-0.1 2,-0.6 0.505 96.7 93.0 -84.6 -7.1 35.2 -35.6 1.1 5 10 A R B -a 41 0A 146 35,-0.2 2,-0.3 -4,-0.1 37,-0.1 -0.798 68.6-149.9 -93.6 119.0 38.9 -34.6 1.1 6 11 A L - 0 0 12 35,-0.9 2,-0.3 -2,-0.6 -2,-0.1 -0.716 20.1-112.7 -90.1 139.2 40.5 -34.4 -2.3 7 12 A R > - 0 0 103 -2,-0.3 4,-0.7 1,-0.1 35,-0.1 -0.510 28.1-173.2 -70.0 128.6 44.2 -35.2 -2.9 8 13 A L H > S+ 0 0 44 -2,-0.3 4,-2.7 3,-0.2 5,-0.4 0.812 71.0 71.3 -94.5 -34.0 46.2 -32.1 -3.9 9 14 A R H 4 S+ 0 0 218 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.861 118.5 21.3 -53.0 -38.7 49.6 -33.4 -4.7 10 15 A R H > S+ 0 0 182 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.831 130.7 42.9 -95.9 -40.6 48.3 -35.0 -7.9 11 16 A D H X S+ 0 0 32 -4,-0.7 4,-2.8 2,-0.2 5,-0.2 0.741 93.7 73.7 -84.5 -24.4 45.1 -33.0 -8.5 12 17 A F H X S+ 0 0 66 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.922 99.9 47.9 -55.5 -47.1 46.1 -29.4 -7.9 13 18 A L H > S+ 0 0 96 -5,-0.4 4,-2.4 -4,-0.2 -1,-0.2 0.913 113.5 48.1 -57.4 -47.3 48.1 -29.2 -11.1 14 19 A L H X S+ 0 0 68 -4,-0.7 4,-2.9 2,-0.2 5,-0.4 0.897 113.4 46.1 -62.2 -44.2 45.2 -30.8 -13.1 15 20 A I H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 16,-0.2 0.896 113.7 50.0 -65.5 -42.1 42.6 -28.4 -11.6 16 21 A F H < S+ 0 0 131 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.890 120.1 36.1 -60.0 -45.0 44.9 -25.4 -12.2 17 22 A K H < S+ 0 0 139 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.837 132.5 23.1 -78.9 -41.1 45.5 -26.4 -15.8 18 23 A E H < S+ 0 0 131 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.577 107.7 79.1-105.8 -19.0 42.1 -27.8 -16.9 19 24 A G S < S- 0 0 26 -4,-2.0 13,-0.2 -5,-0.4 2,-0.2 -0.087 72.8-109.1 -85.8-173.9 39.6 -26.2 -14.4 20 25 A K E -B 31 0A 156 11,-2.8 11,-2.2 -2,-0.0 2,-0.3 -0.583 25.2-142.2-109.6 172.8 37.9 -22.8 -14.1 21 26 A S E -B 30 0A 57 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.995 15.2-178.9-143.2 146.7 38.4 -19.9 -11.7 22 27 A L E +B 29 0A 38 7,-2.0 7,-3.2 -2,-0.3 2,-0.3 -0.965 16.0 177.2-137.8 149.0 36.4 -17.3 -9.8 23 28 A Q E +B 28 0A 101 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.993 17.0 178.4-153.5 158.3 37.6 -14.6 -7.4 24 29 A N - 0 0 23 3,-2.1 -2,-0.0 -2,-0.3 79,-0.0 -0.678 60.8 -69.9-138.2-168.7 36.8 -11.7 -5.2 25 30 A E S S+ 0 0 60 -2,-0.2 62,-0.4 1,-0.2 61,-0.3 0.754 130.6 33.1 -61.9 -26.2 38.9 -9.4 -3.0 26 31 A Y S S+ 0 0 33 1,-0.2 58,-2.5 60,-0.2 2,-0.3 0.736 118.1 30.2-103.0 -30.1 39.5 -12.3 -0.4 27 32 A F E - C 0 83A 0 56,-0.2 -3,-2.1 75,-0.1 2,-0.4 -0.967 46.8-152.9-137.4 156.4 39.6 -15.6 -2.3 28 33 A V E -BC 23 82A 26 54,-2.4 54,-2.7 -2,-0.3 2,-0.5 -0.973 23.0-162.9-117.6 130.5 40.5 -17.4 -5.6 29 34 A V E -BC 22 81A 0 -7,-3.2 -7,-2.0 -2,-0.4 2,-0.4 -0.985 3.2-167.0-121.3 120.7 38.4 -20.5 -6.1 30 35 A L E +BC 21 80A 15 50,-2.6 50,-3.0 -2,-0.5 2,-0.3 -0.854 15.3 175.1-104.4 141.8 39.6 -23.1 -8.7 31 36 A F E +BC 20 79A 10 -11,-2.2 -11,-2.8 -2,-0.4 2,-0.3 -1.000 16.7 176.9-152.4 150.9 37.2 -25.9 -9.8 32 37 A R E - C 0 78A 59 46,-1.8 46,-3.3 -2,-0.3 -13,-0.1 -0.987 41.7 -97.1-151.4 144.4 36.8 -28.8 -12.2 33 38 A K E - C 0 77A 136 -2,-0.3 44,-0.3 44,-0.2 43,-0.1 -0.414 31.6-168.2 -60.7 131.5 34.1 -31.5 -12.8 34 39 A N - 0 0 30 42,-2.0 43,-0.2 2,-0.2 -1,-0.1 0.482 33.3-122.8-104.4 -7.2 35.1 -34.7 -10.9 35 40 A G S S+ 0 0 79 41,-0.6 2,-0.2 1,-0.3 42,-0.1 0.667 75.9 114.4 72.0 18.0 32.5 -37.1 -12.4 36 41 A L S S- 0 0 64 2,-0.3 -1,-0.3 40,-0.1 -2,-0.2 -0.660 78.3-118.8-112.1 169.4 31.2 -37.9 -8.9 37 42 A D S S+ 0 0 157 -2,-0.2 2,-0.3 -3,-0.1 38,-0.0 0.257 96.7 47.0 -92.5 11.1 27.8 -37.3 -7.3 38 43 A Y S S- 0 0 75 37,-0.1 -2,-0.3 36,-0.0 2,-0.3 -0.945 82.3-113.9-145.9 160.2 29.4 -35.0 -4.6 39 44 A S - 0 0 9 -2,-0.3 2,-0.4 37,-0.2 39,-0.2 -0.681 21.8-148.7 -99.0 152.8 32.0 -32.2 -4.4 40 45 A R E - d 0 78A 52 37,-2.3 39,-3.1 -2,-0.3 2,-0.4 -0.961 8.3-143.2-124.2 141.4 35.4 -32.3 -2.8 41 46 A L E +ad 5 79A 14 -37,-1.5 -35,-0.9 -2,-0.4 2,-0.3 -0.892 17.4 175.2-111.4 138.1 37.3 -29.5 -1.1 42 47 A G E - d 0 80A 6 37,-2.6 39,-2.6 -2,-0.4 2,-0.4 -0.960 14.6-153.0-133.4 144.7 41.1 -28.7 -1.0 43 48 A I E - d 0 81A 28 -2,-0.3 2,-0.6 37,-0.2 39,-0.2 -0.991 4.8-167.5-125.2 127.8 42.7 -25.6 0.6 44 49 A V - 0 0 39 37,-2.5 2,-0.6 -2,-0.4 -2,-0.0 -0.947 8.3-176.9-117.5 107.2 46.0 -24.1 -0.6 45 50 A V - 0 0 17 -2,-0.6 37,-0.1 37,-0.1 -2,-0.0 -0.937 24.9-128.6-107.5 119.3 47.5 -21.6 1.8 46 51 A K > - 0 0 127 -2,-0.6 3,-2.0 37,-0.3 4,-0.3 -0.349 20.3-119.8 -63.8 143.9 50.7 -19.9 0.7 47 52 A R G > S+ 0 0 196 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.870 111.5 66.7 -52.4 -39.0 53.5 -20.0 3.2 48 53 A K G 3 S+ 0 0 138 1,-0.3 -1,-0.3 0, 0.0 3,-0.1 0.567 78.6 81.2 -60.4 -14.3 53.5 -16.2 3.3 49 54 A F G < S- 0 0 12 -3,-2.0 -1,-0.3 1,-0.2 2,-0.3 0.801 106.8-104.1 -62.8 -29.1 50.0 -16.2 4.9 50 55 A G < - 0 0 20 -3,-1.9 -1,-0.2 -4,-0.3 38,-0.0 -0.874 48.2 -31.4 138.2-169.9 51.8 -16.9 8.2 51 56 A K S > S- 0 0 126 -2,-0.3 4,-2.4 -3,-0.1 3,-0.3 -0.139 72.4 -79.7 -80.9 173.9 52.6 -19.5 10.8 52 57 A A H > S+ 0 0 54 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.822 124.7 53.1 -42.1 -50.6 50.6 -22.6 11.9 53 58 A T H > S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.932 114.6 40.4 -54.2 -54.5 48.2 -20.7 14.2 54 59 A R H > S+ 0 0 105 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.920 118.8 44.8 -63.6 -49.5 47.1 -18.2 11.6 55 60 A R H X S+ 0 0 53 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.884 112.6 51.8 -65.3 -38.6 47.0 -20.7 8.6 56 61 A N H X S+ 0 0 60 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.851 106.4 54.2 -67.8 -33.4 45.2 -23.3 10.6 57 62 A K H X S+ 0 0 94 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.919 110.3 46.7 -64.2 -45.5 42.5 -20.8 11.7 58 63 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.937 112.4 49.7 -61.7 -47.6 41.8 -19.9 8.1 59 64 A K H X S+ 0 0 70 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.882 110.0 51.4 -58.7 -42.4 41.7 -23.6 7.1 60 65 A R H X S+ 0 0 153 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.931 110.1 48.7 -62.4 -45.7 39.2 -24.4 9.9 61 66 A W H X S+ 0 0 44 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.926 113.0 48.0 -58.8 -46.9 36.9 -21.6 8.9 62 67 A V H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.914 111.9 48.7 -61.0 -46.8 36.9 -22.7 5.3 63 68 A R H X S+ 0 0 106 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.885 113.2 48.4 -60.7 -41.6 36.3 -26.4 6.1 64 69 A E H X S+ 0 0 92 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.885 110.3 50.1 -66.0 -44.5 33.4 -25.4 8.4 65 70 A I H X S+ 0 0 2 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.928 114.6 45.3 -59.9 -48.4 31.8 -23.1 5.8 66 71 A F H X S+ 0 0 4 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.934 114.0 48.3 -61.3 -50.2 32.0 -25.9 3.2 67 72 A R H >< S+ 0 0 139 -4,-2.6 3,-0.7 1,-0.2 4,-0.2 0.898 114.5 43.6 -56.8 -50.5 30.7 -28.6 5.6 68 73 A R H 3< S+ 0 0 188 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.762 121.5 40.2 -69.4 -27.8 27.7 -26.7 6.8 69 74 A N H >X S+ 0 0 23 -4,-1.5 4,-1.7 -5,-0.2 3,-1.4 0.250 76.7 112.8-108.2 12.3 26.7 -25.4 3.3 70 75 A K T << S+ 0 0 35 -3,-0.7 -1,-0.1 -4,-0.5 -2,-0.1 0.817 72.5 62.9 -50.8 -39.3 27.4 -28.6 1.3 71 76 A G T 34 S+ 0 0 76 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.793 112.1 34.4 -58.3 -35.3 23.6 -28.9 0.6 72 77 A V T <4 S+ 0 0 81 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.683 98.2 92.1 -96.0 -22.9 23.6 -25.6 -1.4 73 78 A I S < S- 0 0 4 -4,-1.7 35,-0.1 -7,-0.2 -34,-0.1 -0.541 93.0 -92.7 -73.1 136.5 27.1 -25.7 -2.9 74 79 A P - 0 0 35 0, 0.0 3,-0.3 0, 0.0 2,-0.3 -0.138 41.7-125.9 -52.0 145.4 27.0 -27.4 -6.5 75 80 A K S S+ 0 0 111 1,-0.2 -37,-0.1 -37,-0.1 -36,-0.1 -0.666 79.6 38.4 -95.7 148.1 27.7 -31.1 -6.7 76 81 A G S S+ 0 0 11 1,-0.3 -42,-2.0 -2,-0.3 -41,-0.6 0.751 84.7 117.0 86.8 31.0 30.3 -33.0 -8.8 77 82 A F E -C 33 0A 8 -3,-0.3 -37,-2.3 -44,-0.3 2,-0.5 -0.982 58.4-139.9-131.3 143.3 33.3 -30.6 -8.5 78 83 A D E -Cd 32 40A 2 -46,-3.3 -46,-1.8 -2,-0.4 2,-0.4 -0.875 34.7-162.4 -96.1 122.5 36.8 -30.7 -7.1 79 84 A I E -Cd 31 41A 1 -39,-3.1 -37,-2.6 -2,-0.5 2,-0.5 -0.964 16.3-165.9-119.0 131.5 37.2 -27.3 -5.5 80 85 A V E -Cd 30 42A 0 -50,-3.0 -50,-2.6 -2,-0.4 2,-0.5 -0.969 9.2-157.7-117.1 121.8 40.5 -25.5 -4.4 81 86 A V E -Cd 29 43A 0 -39,-2.6 -37,-2.5 -2,-0.5 -52,-0.2 -0.879 10.9-177.1-102.6 127.8 40.2 -22.5 -2.1 82 87 A I E -C 28 0A 23 -54,-2.7 -54,-2.4 -2,-0.5 -37,-0.1 -0.970 19.7-137.2-127.1 115.7 43.1 -20.0 -2.1 83 88 A P E -C 27 0A 15 0, 0.0 -37,-0.3 0, 0.0 -56,-0.2 -0.404 23.2-132.6 -70.5 147.6 43.2 -17.0 0.2 84 89 A R > - 0 0 94 -58,-2.5 4,-1.7 -2,-0.1 3,-0.3 -0.576 22.6-105.1 -98.9 161.6 44.4 -13.7 -1.4 85 90 A K T 4 S+ 0 0 135 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.890 119.5 58.7 -50.7 -44.9 47.0 -11.2 -0.2 86 91 A K T >> S+ 0 0 89 -61,-0.3 3,-2.0 1,-0.2 4,-1.2 0.926 103.5 50.9 -51.1 -52.4 44.1 -8.8 0.8 87 92 A L H >> S+ 0 0 0 -62,-0.4 4,-1.0 -3,-0.3 3,-0.9 0.918 108.8 50.5 -52.7 -48.8 42.6 -11.4 3.1 88 93 A S H 3< S+ 0 0 42 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.497 107.7 58.5 -69.3 -2.5 45.9 -11.9 4.9 89 94 A E H <4 S+ 0 0 129 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.723 124.0 16.4 -96.8 -28.5 46.0 -8.1 5.2 90 95 A E H XX S+ 0 0 56 -4,-1.2 4,-1.5 -3,-0.9 3,-1.3 0.102 86.6 120.1-130.5 18.6 42.8 -7.7 7.2 91 96 A F G >< S+ 0 0 14 -4,-1.0 3,-0.7 1,-0.3 -3,-0.1 0.911 81.2 47.2 -50.5 -48.9 42.3 -11.3 8.3 92 97 A E G 34 S+ 0 0 124 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.668 115.7 47.4 -68.1 -16.3 42.4 -10.2 12.0 93 98 A R G <4 S+ 0 0 192 -3,-1.3 2,-0.5 2,-0.1 -1,-0.2 0.562 97.1 86.6 -99.0 -13.4 40.0 -7.4 11.0 94 99 A V S << S- 0 0 12 -4,-1.5 2,-0.1 -3,-0.7 -7,-0.0 -0.779 70.1-143.5 -93.6 129.8 37.6 -9.7 9.1 95 100 A D > - 0 0 84 -2,-0.5 4,-1.8 1,-0.1 3,-0.2 -0.363 25.4-105.8 -85.3 167.5 34.9 -11.5 11.0 96 101 A F H > S+ 0 0 73 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.899 116.9 53.9 -59.0 -47.9 33.6 -15.0 10.4 97 102 A W H > S+ 0 0 169 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.839 109.3 49.6 -58.4 -34.9 30.3 -13.9 8.8 98 103 A T H > S+ 0 0 41 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 111.8 47.2 -69.8 -44.2 32.2 -11.7 6.2 99 104 A V H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.933 114.1 49.5 -61.1 -44.9 34.6 -14.6 5.3 100 105 A R H X S+ 0 0 103 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.930 112.2 46.6 -57.8 -52.0 31.5 -16.9 5.0 101 106 A E H X S+ 0 0 126 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.906 114.9 46.4 -56.8 -50.4 29.6 -14.5 2.8 102 107 A K H X S+ 0 0 48 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.857 116.1 44.1 -65.0 -38.9 32.6 -13.8 0.5 103 108 A L H >X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 3,-0.7 0.935 114.2 49.0 -72.3 -46.5 33.5 -17.5 0.2 104 109 A L H 3X S+ 0 0 7 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.830 101.9 63.4 -62.5 -32.9 29.9 -18.7 -0.4 105 110 A N H 3< S+ 0 0 87 -4,-2.1 -1,-0.2 -5,-0.2 4,-0.2 0.864 112.2 37.1 -59.0 -36.2 29.4 -16.0 -3.1 106 111 A L H X< S+ 0 0 0 -4,-0.8 3,-1.4 -3,-0.7 4,-0.3 0.923 115.2 52.3 -79.8 -49.6 32.0 -17.7 -5.1 107 112 A L H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.864 106.9 53.4 -56.0 -41.3 31.2 -21.4 -4.2 108 113 A K T 3< S+ 0 0 111 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.634 103.6 59.3 -70.4 -14.0 27.5 -20.9 -5.2 109 114 A R T < S+ 0 0 116 -3,-1.4 -1,-0.2 -4,-0.2 2,-0.2 0.410 71.4 125.2 -96.7 2.2 28.6 -19.6 -8.6 110 115 A I < - 0 0 5 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.0 -0.466 56.6-132.0 -64.0 122.7 30.5 -22.8 -9.6 111 116 A E 0 0 155 -2,-0.2 -2,-0.1 -37,-0.1 -3,-0.0 -0.969 360.0 360.0-136.3 150.5 28.9 -23.9 -13.0 112 117 A G 0 0 98 -2,-0.3 -2,-0.0 -79,-0.0 0, 0.0 -0.739 360.0 360.0-136.1 360.0 27.8 -26.1 -14.6