==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-DEC-02 1J1F . COMPND 2 MOLECULE: RIBONUCLEASE MC1; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA CHARANTIA; . AUTHOR T.NUMATA,A.SUZUKI,Y.KAKUTA,K.KIMURA,M.YAO,I.TANAKA, . 191 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 18.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0.5 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 . 11 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 2 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 0 0 1 2 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 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 0 A E 0 0 188 0, 0.0 2,-0.3 0, 0.0 92,-0.1 0.000 360.0 360.0 360.0 -16.6 17.9 23.8 51.1 2 1 A F - 0 0 17 1,-0.1 39,-0.3 39,-0.1 3,-0.1 -0.916 360.0-169.7-121.5 148.5 16.9 26.7 53.4 3 2 A D S S- 0 0 62 37,-2.4 169,-0.6 -2,-0.3 2,-0.3 0.442 71.9 -13.2-111.3 -3.7 14.1 29.2 53.2 4 3 A S E -AB 40 171A 17 36,-1.0 36,-3.2 167,-0.2 2,-0.3 -0.971 62.9-109.0-175.3-177.2 15.2 31.7 55.9 5 4 A F E -AB 39 170A 0 165,-2.3 165,-2.2 -2,-0.3 2,-0.6 -0.978 7.6-148.7-135.3 148.0 17.6 32.4 58.8 6 5 A W E -AB 38 169A 18 32,-1.8 32,-3.0 -2,-0.3 2,-0.9 -0.981 13.7-160.8-112.9 114.4 17.2 32.7 62.6 7 6 A F E -AB 37 168A 0 161,-2.9 161,-2.3 -2,-0.6 2,-0.6 -0.873 17.3-162.1 -98.6 103.9 19.7 35.2 63.8 8 7 A V E -AB 36 167A 0 28,-2.5 27,-2.9 -2,-0.9 28,-1.8 -0.798 12.2-175.2 -98.4 119.2 19.8 34.3 67.5 9 8 A Q E -AB 34 166A 1 157,-2.5 157,-2.0 -2,-0.6 2,-0.3 -0.857 12.2-148.2-108.9 146.0 21.3 36.7 70.1 10 9 A Q E -AB 33 165A 11 23,-2.8 23,-2.2 -2,-0.4 155,-0.2 -0.863 14.1-132.5-116.5 148.9 21.6 35.7 73.8 11 10 A W > - 0 0 18 153,-2.6 4,-2.3 -2,-0.3 3,-0.5 -0.872 23.9-151.8 -98.1 101.4 21.4 37.9 76.9 12 11 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.830 87.5 49.7 -42.5 -52.6 24.6 36.8 78.8 13 12 A P H > S+ 0 0 27 0, 0.0 4,-1.4 0, 0.0 14,-0.1 0.915 113.7 46.0 -59.5 -43.1 23.4 37.4 82.4 14 13 A A H 4 S+ 0 0 9 -3,-0.5 4,-0.5 2,-0.2 3,-0.2 0.925 111.9 51.2 -65.4 -44.8 20.1 35.6 81.9 15 14 A V H >< S+ 0 0 17 -4,-2.3 3,-1.2 1,-0.2 4,-0.2 0.946 114.1 43.5 -56.9 -50.5 21.8 32.6 80.2 16 15 A a H >< S+ 0 0 4 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.710 95.8 77.5 -69.3 -21.4 24.3 32.2 83.0 17 16 A S T 3< S+ 0 0 50 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.708 91.3 57.1 -62.1 -18.5 21.7 32.7 85.7 18 17 A F T < S+ 0 0 21 -3,-1.2 2,-1.4 -4,-0.5 -1,-0.3 0.615 81.3 87.9 -88.6 -14.9 20.7 29.1 85.0 19 18 A Q < - 0 0 80 -3,-1.5 -1,-0.1 -4,-0.2 -3,-0.0 -0.724 62.1-170.7 -86.7 94.0 24.1 27.6 85.7 20 19 A K + 0 0 130 -2,-1.4 2,-0.3 1,-0.0 -1,-0.2 0.546 64.9 31.0 -63.7 -10.6 23.5 27.1 89.5 21 20 A S S S+ 0 0 93 2,-0.1 -3,-0.0 -3,-0.1 -1,-0.0 -0.989 97.4 24.1-148.8 155.7 27.2 26.2 90.0 22 21 A G S S- 0 0 69 -2,-0.3 2,-0.1 2,-0.0 -3,-0.0 -0.057 90.7 -43.9 82.0 174.2 30.6 26.9 88.6 23 22 A S + 0 0 100 3,-0.0 -2,-0.1 2,-0.0 3,-0.0 -0.357 45.4 177.4 -77.9 157.9 31.9 29.9 86.7 24 23 A a > - 0 0 16 -2,-0.1 3,-2.7 1,-0.0 4,-0.2 -0.636 18.8-158.1-164.4 94.3 30.1 31.6 83.8 25 24 A P G > S+ 0 0 78 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.691 88.2 75.6 -49.0 -22.9 31.7 34.6 82.1 26 25 A G G > S+ 0 0 0 47,-2.2 3,-0.9 1,-0.3 -11,-0.1 0.708 74.7 79.1 -65.9 -19.0 28.3 35.6 80.9 27 26 A S G < S+ 0 0 71 -3,-2.7 -1,-0.3 46,-0.2 46,-0.0 0.693 97.0 44.4 -62.7 -17.6 27.4 36.8 84.4 28 27 A G G < S+ 0 0 55 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.531 87.7 101.3-106.9 -6.7 29.3 40.0 83.8 29 28 A L < - 0 0 60 -3,-0.9 4,-0.0 -4,-0.3 3,-0.0 -0.509 45.5-168.4 -81.0 149.1 28.3 41.1 80.3 30 29 A R + 0 0 155 -2,-0.2 2,-0.3 -18,-0.1 -1,-0.1 0.032 62.1 63.5-124.6 25.8 25.7 43.8 79.7 31 30 A T S S- 0 0 54 -21,-0.1 2,-0.2 85,-0.0 -21,-0.1 -0.971 86.8 -95.5-145.4 157.5 24.9 43.6 76.0 32 31 A F - 0 0 1 -2,-0.3 2,-0.3 -21,-0.1 -21,-0.2 -0.546 44.0-170.6 -73.8 138.4 23.3 41.0 73.7 33 32 A T E -A 10 0A 2 -23,-2.2 -23,-2.8 -2,-0.2 2,-0.3 -0.782 29.2 -82.4-125.0 171.0 25.8 38.8 71.9 34 33 A I E +A 9 0A 0 35,-3.3 -25,-0.2 -2,-0.3 3,-0.1 -0.580 34.4 171.2 -81.1 130.8 25.6 36.3 69.1 35 34 A H E - 0 0 41 -27,-2.9 2,-0.3 1,-0.4 -26,-0.2 0.811 66.3 -56.1 -95.2 -52.2 24.6 32.7 69.8 36 35 A G E -A 8 0A 0 -28,-1.8 -28,-2.5 70,-0.1 2,-0.6 -0.997 32.0-110.9-176.9 172.9 24.3 31.8 66.1 37 36 A L E -A 7 0A 0 -2,-0.3 -30,-0.2 -30,-0.2 69,-0.1 -0.947 40.5-166.4-121.6 104.1 23.0 32.3 62.6 38 37 A W E -A 6 0A 20 -32,-3.0 -32,-1.8 -2,-0.6 52,-0.1 -0.821 15.6-139.1-104.9 110.7 20.8 29.3 61.9 39 38 A P E -A 5 0A 0 0, 0.0 7,-2.5 0, 0.0 2,-0.3 -0.354 28.6-151.0 -61.4 142.3 19.6 28.4 58.4 40 39 A Q E -AC 4 45A 2 -36,-3.2 -37,-2.4 5,-0.2 -36,-1.0 -0.800 20.9-178.7-117.9 159.1 15.9 27.4 58.5 41 40 A Q E > S- C 0 44A 60 3,-2.4 3,-1.0 -2,-0.3 -39,-0.1 -0.842 73.5 -13.5-159.3 115.6 13.7 25.1 56.5 42 41 A S T 3 S- 0 0 95 -2,-0.3 3,-0.1 1,-0.2 -40,-0.0 0.850 127.5 -51.4 60.9 38.6 9.9 24.4 57.0 43 42 A G T 3 S+ 0 0 43 1,-0.2 2,-0.3 139,-0.0 -1,-0.2 0.555 120.8 95.5 79.1 7.6 9.9 26.1 60.4 44 43 A T E < S-C 41 0A 83 -3,-1.0 -3,-2.4 0, 0.0 2,-0.3 -0.946 79.8-102.9-131.5 152.7 12.8 24.0 61.8 45 44 A S E -C 40 0A 33 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.549 30.8-134.3 -74.0 132.3 16.6 24.6 62.1 46 45 A L - 0 0 32 -7,-2.5 2,-0.3 -2,-0.3 46,-0.2 -0.770 35.0-175.0 -85.3 125.7 18.7 22.8 59.4 47 46 A T + 0 0 61 -2,-0.5 42,-0.2 1,-0.2 41,-0.1 -0.929 44.8 9.4-131.7 154.0 21.6 21.2 61.2 48 47 A N S S+ 0 0 104 40,-1.9 -1,-0.2 -2,-0.3 40,-0.2 0.878 71.3 176.1 54.5 48.3 24.8 19.2 60.5 49 48 A b - 0 0 35 39,-0.2 -1,-0.2 38,-0.2 42,-0.1 -0.554 40.5 -97.4 -81.6 143.9 24.7 19.7 56.7 50 49 A P S S+ 0 0 133 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.409 71.0 122.7 -61.9 132.8 27.7 18.3 54.7 51 50 A G - 0 0 42 -2,-0.1 40,-0.1 -3,-0.0 3,-0.1 -0.954 59.4 -39.7-169.7-172.8 30.1 21.1 54.1 52 51 A S - 0 0 59 -2,-0.3 3,-0.1 1,-0.1 39,-0.1 -0.326 62.8-106.5 -66.8 143.4 33.6 22.5 54.4 53 52 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.374 51.0 -84.1 -66.3 152.8 35.5 21.9 57.7 54 53 A F - 0 0 41 29,-0.1 2,-0.4 -3,-0.1 29,-0.1 -0.370 48.6-168.0 -58.6 133.6 35.7 25.0 59.9 55 54 A D > - 0 0 56 1,-0.1 3,-2.1 -3,-0.1 4,-0.4 -0.877 14.9-166.0-132.0 100.8 38.8 27.0 58.7 56 55 A I G > S+ 0 0 55 -2,-0.4 3,-1.2 1,-0.3 4,-0.2 0.750 86.0 68.6 -55.8 -26.8 39.9 29.8 61.0 57 56 A T G > S+ 0 0 88 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.750 90.4 63.1 -67.0 -21.1 42.1 31.3 58.3 58 57 A K G < S+ 0 0 119 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.700 114.7 30.3 -76.6 -18.9 38.9 32.3 56.3 59 58 A I G X S+ 0 0 1 -3,-1.2 3,-2.0 -4,-0.4 4,-0.3 0.120 79.0 119.3-125.1 20.5 37.8 34.6 59.1 60 59 A S G X S+ 0 0 62 -3,-0.5 3,-1.2 1,-0.3 4,-0.2 0.836 74.1 59.5 -55.6 -34.0 41.1 35.8 60.6 61 60 A H G 3 S+ 0 0 125 1,-0.2 -1,-0.3 -4,-0.2 3,-0.2 0.659 104.3 51.4 -69.8 -15.6 40.2 39.4 59.6 62 61 A L G <> S+ 0 0 4 -3,-2.0 4,-2.8 1,-0.2 5,-0.3 0.318 74.0 108.1-104.3 7.9 37.1 39.2 61.8 63 62 A Q H <> S+ 0 0 114 -3,-1.2 4,-2.2 -4,-0.3 -1,-0.2 0.815 79.0 49.7 -57.9 -34.8 38.7 38.0 65.0 64 63 A S H > S+ 0 0 87 -3,-0.2 4,-1.5 -4,-0.2 -1,-0.2 0.958 115.3 43.1 -68.1 -49.4 38.4 41.3 66.9 65 64 A Q H > S+ 0 0 71 1,-0.2 4,-3.0 -4,-0.2 5,-0.3 0.863 116.4 48.4 -63.4 -37.7 34.7 41.6 66.0 66 65 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.863 109.0 51.5 -73.2 -35.5 34.0 38.0 66.7 67 66 A N H < S+ 0 0 71 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.806 118.8 39.8 -69.9 -26.2 35.7 38.0 70.1 68 67 A T H < S+ 0 0 95 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.907 130.0 24.7 -86.2 -47.1 33.6 41.1 71.0 69 68 A L H < S+ 0 0 22 -4,-3.0 -35,-3.3 1,-0.2 -3,-0.2 0.657 129.6 36.9 -95.1 -20.1 30.2 40.1 69.5 70 69 A W S < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.234 75.4 143.5-127.5 46.5 30.4 36.3 69.4 71 70 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.387 58.2-106.4 -79.7 164.4 32.2 35.2 72.5 72 71 A T - 0 0 16 1,-0.1 6,-0.1 4,-0.1 -37,-0.1 -0.684 29.6-168.2 -78.8 144.7 31.3 32.0 74.3 73 72 A V S S+ 0 0 2 -2,-0.3 -47,-2.2 -48,-0.1 -46,-0.2 0.543 83.1 45.6-111.2 -9.5 29.5 33.2 77.5 74 73 A L S S+ 0 0 81 -49,-0.2 2,-0.1 -50,-0.2 -2,-0.0 0.818 119.9 20.4 -98.2 -43.1 29.5 29.7 79.1 75 74 A R S S- 0 0 180 -51,-0.1 3,-0.1 2,-0.1 -49,-0.0 -0.048 77.0-111.0-108.4-150.9 33.0 28.5 78.5 76 75 A A S S+ 0 0 95 1,-0.1 2,-0.9 -2,-0.1 -4,-0.1 0.627 85.5 81.1-123.5 -23.8 36.4 30.1 77.6 77 76 A N > - 0 0 86 1,-0.2 4,-1.1 -6,-0.1 -1,-0.1 -0.771 48.1-177.8 -94.4 104.0 37.4 29.1 74.1 78 77 A N H > S+ 0 0 34 -2,-0.9 4,-2.2 1,-0.2 3,-0.4 0.904 81.7 55.9 -64.9 -43.5 35.6 31.4 71.6 79 78 A Q H > S+ 0 0 97 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.851 102.4 56.6 -58.6 -35.7 37.0 29.7 68.5 80 79 A Q H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 108.1 48.9 -63.1 -37.0 35.6 26.3 69.7 81 80 A F H X S+ 0 0 34 -4,-1.1 4,-2.5 -3,-0.4 -2,-0.2 0.925 111.6 47.7 -69.0 -44.4 32.1 28.0 69.8 82 81 A W H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.915 111.5 51.6 -63.1 -42.4 32.5 29.5 66.3 83 82 A S H X S+ 0 0 39 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.923 110.9 47.5 -59.1 -47.0 33.7 26.1 64.9 84 83 A H H X S+ 0 0 97 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.912 111.9 49.7 -61.9 -44.5 30.7 24.3 66.4 85 84 A E H X>S+ 0 0 3 -4,-2.5 5,-2.1 2,-0.2 4,-1.8 0.860 112.5 48.4 -65.2 -34.3 28.2 26.9 65.1 86 85 A W H <>S+ 0 0 0 -4,-2.3 5,-2.4 3,-0.2 6,-0.2 0.959 114.6 43.3 -69.6 -50.9 29.8 26.6 61.6 87 86 A T H <5S+ 0 0 66 -4,-2.7 -2,-0.2 1,-0.2 -38,-0.2 0.846 122.7 37.9 -64.2 -35.7 29.7 22.8 61.5 88 87 A K H <5S+ 0 0 74 -4,-2.4 -40,-1.9 -5,-0.2 -1,-0.2 0.780 140.4 1.6 -88.5 -27.3 26.3 22.5 62.9 89 88 A H T ><5S+ 0 0 8 -4,-1.8 3,-1.4 -5,-0.3 4,-0.2 0.706 119.9 61.3-126.0 -49.6 24.6 25.5 61.3 90 89 A G G > S+ 0 0 0 -3,-1.8 4,-2.5 -4,-0.2 3,-1.7 0.194 83.5 109.9-125.1 14.1 23.8 27.8 54.0 94 93 A E T <4 + 0 0 48 -3,-1.2 -2,-0.1 1,-0.3 -3,-0.1 0.650 60.5 79.8 -65.3 -14.9 27.3 27.3 52.4 95 94 A S T 34 S+ 0 0 98 -4,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.784 118.1 10.2 -63.4 -25.6 25.7 26.9 49.0 96 95 A T T <4 S+ 0 0 89 -3,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.578 130.3 53.7-124.9 -23.6 25.4 30.7 48.9 97 96 A F < - 0 0 34 -4,-2.5 -1,-0.2 -7,-0.2 -4,-0.2 -0.924 69.2-155.3-121.1 107.9 27.5 31.9 51.9 98 97 A N > - 0 0 94 -2,-0.5 4,-2.7 -3,-0.1 5,-0.2 -0.232 41.9 -91.4 -70.2 170.3 31.0 30.7 52.2 99 98 A Q H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.882 126.8 50.5 -52.1 -44.6 32.5 30.7 55.7 100 99 A A H > S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.927 114.6 43.5 -60.6 -45.5 34.0 34.2 55.4 101 100 A A H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.857 110.7 55.9 -68.5 -37.0 30.6 35.7 54.2 102 101 A Y H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.946 111.8 41.2 -61.6 -50.8 28.6 33.7 56.8 103 102 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.871 114.2 52.5 -67.7 -34.6 30.6 35.1 59.8 104 103 A K H X S+ 0 0 81 -4,-1.8 4,-2.8 -5,-0.3 -1,-0.2 0.885 107.3 54.8 -66.1 -36.0 30.6 38.6 58.2 105 104 A L H X S+ 0 0 27 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.935 107.6 48.0 -61.8 -46.7 26.8 38.3 57.9 106 105 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.897 112.2 49.7 -62.3 -41.3 26.4 37.5 61.6 107 106 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.941 112.9 46.0 -63.8 -46.6 28.7 40.4 62.6 108 107 A D H X S+ 0 0 53 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.890 111.0 53.3 -63.8 -38.7 26.7 42.8 60.3 109 108 A M H X S+ 0 0 7 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.917 109.5 48.7 -62.6 -42.0 23.4 41.5 61.6 110 109 A R H >< S+ 0 0 18 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.932 111.4 48.5 -63.8 -45.6 24.5 42.1 65.2 111 110 A N H 3< S+ 0 0 84 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.767 115.5 46.0 -66.4 -23.2 25.7 45.7 64.4 112 111 A N H 3< S+ 0 0 117 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.398 109.9 55.0 -99.1 1.2 22.4 46.3 62.7 113 112 A Y << + 0 0 6 -3,-1.1 2,-1.1 -4,-0.5 -1,-0.2 -0.576 63.2 173.1-135.4 71.0 20.1 44.8 65.3 114 113 A D > - 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