==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 14-JUN-10 3NH2 . COMPND 2 MOLECULE: RIBONUCLEASE T; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.-Y.HSIAO,H.S.YUAN . 816 6 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 553 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 9.3 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 0.5 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-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 . 30 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.7 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 4 0 0 8 3 1 0 0 0 0 4 0 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 4 4 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 0 0 0 4 4 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 4 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 9 A G >> 0 0 69 0, 0.0 3,-1.6 0, 0.0 4,-1.5 0.000 360.0 360.0 360.0 -63.2 -7.8 8.3 -16.8 2 10 A L H 3> + 0 0 16 1,-0.3 4,-0.8 2,-0.2 3,-0.4 0.884 360.0 46.1 -49.5 -46.0 -9.7 5.1 -17.5 3 11 A a H 34>S+ 0 0 18 99,-0.4 5,-1.8 1,-0.2 -1,-0.3 0.517 108.0 56.8 -83.7 -4.3 -7.8 4.4 -20.6 4 12 A D H X45S+ 0 0 128 -3,-1.6 3,-0.9 3,-0.2 -1,-0.2 0.728 95.9 69.2 -86.1 -26.7 -4.4 5.1 -19.0 5 13 A R H 3<5S+ 0 0 4 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.1 0.887 115.0 17.0 -63.1 -46.2 -5.1 2.5 -16.3 6 14 A F T ><5S- 0 0 2 -4,-0.8 3,-1.4 3,-0.3 -1,-0.2 -0.200 115.0 -91.8-124.2 42.4 -4.9 -0.7 -18.4 7 15 A R T < 5S- 0 0 62 -3,-0.9 -3,-0.2 1,-0.3 3,-0.1 0.904 94.0 -40.4 51.7 49.6 -3.1 0.5 -21.6 8 16 A G T 3 - 0 0 79 1,-0.2 4,-2.7 -3,-0.1 3,-0.3 -0.757 56.4-164.5 -91.6 111.5 -20.4 -26.4 -22.4 23 31 A A T 4 S+ 0 0 12 -2,-0.7 -1,-0.2 1,-0.2 5,-0.1 0.791 86.7 47.6 -65.7 -30.2 -20.2 -23.2 -24.3 24 32 A K T 4 S+ 0 0 162 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.762 125.9 24.3 -84.1 -25.3 -20.5 -24.8 -27.8 25 33 A T T 4 S+ 0 0 58 -3,-0.3 36,-3.1 35,-0.1 2,-0.3 0.677 104.8 81.3-112.9 -24.9 -23.4 -27.0 -27.1 26 34 A D B < S-e 61 0B 6 -4,-2.7 36,-0.2 34,-0.2 -6,-0.2 -0.696 81.1-107.0 -97.4 139.2 -25.3 -25.4 -24.2 27 35 A A - 0 0 0 34,-2.3 -8,-2.3 -2,-0.3 2,-0.5 -0.247 19.8-133.3 -62.0 139.3 -27.8 -22.6 -24.5 28 36 A L E +B 18 0A 2 -10,-0.2 -10,-0.2 27,-0.2 3,-0.1 -0.825 29.6 174.0 -84.3 133.0 -26.9 -19.1 -23.4 29 37 A L E + 0 0 0 -12,-2.7 25,-3.3 -2,-0.5 2,-0.3 0.682 55.2 10.9-114.3 -28.0 -29.9 -17.9 -21.4 30 38 A E E -BC 17 53A 15 -13,-2.0 -13,-2.7 23,-0.3 2,-0.3 -0.992 52.5-174.4-159.0 141.5 -29.0 -14.5 -19.9 31 39 A I E -BC 16 52A 0 21,-2.3 21,-2.6 -2,-0.3 2,-0.3 -0.998 1.0-173.9-142.6 138.1 -26.3 -11.9 -20.1 32 40 A A E -BC 15 51A 0 -17,-2.3 -17,-1.8 -2,-0.3 2,-0.4 -0.965 6.9-168.0-126.6 149.2 -25.6 -8.7 -18.1 33 41 A A E -BC 14 50A 5 17,-2.5 17,-3.5 -2,-0.3 2,-0.4 -0.999 5.8-172.0-140.9 138.4 -22.9 -6.0 -18.8 34 42 A I E -BC 13 49A 3 -21,-2.3 -21,-2.8 -2,-0.4 15,-0.2 -0.969 10.8-152.6-135.8 118.1 -21.6 -3.1 -16.8 35 43 A T E -B 12 0A 5 13,-2.0 12,-3.8 -2,-0.4 13,-0.3 -0.493 17.8-139.1 -82.2 158.8 -19.2 -0.5 -18.1 36 44 A L E - C 0 46A 1 -25,-0.7 2,-0.3 10,-0.3 8,-0.1 -0.759 15.9-170.5-119.8 165.2 -16.8 1.4 -15.7 37 45 A K E - C 0 45A 84 8,-2.8 8,-1.6 -2,-0.3 2,-0.3 -0.995 12.5-142.4-152.9 151.4 -15.6 4.9 -15.2 38 46 A M E - C 0 44A 38 -2,-0.3 6,-0.2 6,-0.2 -36,-0.2 -0.863 15.3-139.5-111.1 151.9 -13.1 7.0 -13.3 39 47 A D - 0 0 59 4,-1.0 3,-0.3 -2,-0.3 -37,-0.1 -0.162 44.5 -83.4 -89.0-167.1 -13.5 10.4 -11.8 40 48 A E S S+ 0 0 193 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.750 130.3 57.3 -73.3 -22.8 -10.8 13.2 -11.9 41 49 A Q S S- 0 0 131 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.783 118.9-110.6 -75.5 -29.4 -9.2 11.7 -8.8 42 50 A G + 0 0 18 1,-0.3 2,-0.4 -3,-0.3 -2,-0.1 0.662 64.2 149.2 105.2 24.3 -8.8 8.3 -10.6 43 51 A W - 0 0 63 147,-0.0 -4,-1.0 1,-0.0 -1,-0.3 -0.765 41.2-129.1 -95.8 135.4 -11.3 6.2 -8.7 44 52 A L E +C 38 0A 5 -2,-0.4 -6,-0.2 139,-0.3 143,-0.1 -0.533 36.5 153.9 -87.5 144.6 -13.1 3.4 -10.5 45 53 A M E -C 37 0A 79 -8,-1.6 -8,-2.8 -2,-0.2 135,-0.1 -0.982 46.5 -81.2-164.9 154.4 -16.8 2.9 -10.4 46 54 A P E +C 36 0A 49 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.350 39.5 175.8 -63.8 140.7 -19.7 1.4 -12.4 47 55 A D E + 0 0 76 -12,-3.8 2,-0.3 1,-0.4 -11,-0.2 0.797 56.7 8.1-108.6 -69.9 -21.0 3.5 -15.3 48 56 A T E - 0 0 60 -13,-0.3 -13,-2.0 2,-0.0 2,-0.5 -0.920 58.1-149.0-125.6 147.0 -23.8 1.8 -17.4 49 57 A T E -C 34 0A 77 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.962 11.4-175.3-121.6 124.6 -25.8 -1.4 -17.0 50 58 A L E -C 33 0A 31 -17,-3.5 -17,-2.5 -2,-0.5 2,-0.3 -0.897 5.1-178.4-114.2 146.9 -27.1 -3.6 -19.8 51 59 A H E +C 32 0A 62 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.974 4.2 170.8-150.3 130.2 -29.3 -6.6 -19.3 52 60 A F E -C 31 0A 39 -21,-2.6 -21,-2.3 -2,-0.3 2,-0.4 -0.999 26.1-142.5-140.3 142.1 -30.8 -9.2 -21.7 53 61 A H E -C 30 0A 61 27,-0.4 29,-2.5 -2,-0.3 2,-0.4 -0.863 32.5-143.0 -94.9 140.2 -32.7 -12.5 -21.6 54 62 A V B -f 82 0C 0 -25,-3.3 29,-0.2 -2,-0.4 27,-0.1 -0.885 7.8-128.5-117.3 133.0 -31.6 -14.7 -24.4 55 63 A E - 0 0 102 27,-2.6 29,-0.3 -2,-0.4 -27,-0.2 -0.609 39.9-108.0 -69.6 127.8 -33.5 -17.2 -26.6 56 64 A P - 0 0 39 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.302 42.8-106.6 -51.2 139.3 -31.7 -20.6 -26.6 57 65 A F > - 0 0 44 1,-0.2 3,-2.7 4,-0.1 -30,-0.1 -0.362 50.5 -71.7 -73.3 155.2 -30.1 -21.1 -30.1 58 66 A V T 3 S+ 0 0 148 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 -0.211 120.2 0.2 -49.6 117.9 -31.7 -23.5 -32.5 59 67 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.594 92.7 162.2 79.8 12.6 -31.0 -27.0 -31.3 60 68 A A < - 0 0 16 -3,-2.7 2,-0.3 1,-0.1 -34,-0.2 -0.177 41.3-109.8 -62.5 157.3 -29.1 -25.9 -28.2 61 69 A N B -e 26 0B 72 -36,-3.1 -34,-2.3 -39,-0.1 2,-0.5 -0.698 25.5-160.0 -87.8 140.4 -28.6 -28.3 -25.3 62 70 A L - 0 0 57 -2,-0.3 -42,-0.2 -36,-0.2 -36,-0.1 -0.889 6.4-152.4-125.0 101.9 -30.5 -27.6 -22.0 63 71 A Q >> - 0 0 70 -44,-2.9 4,-2.0 -2,-0.5 3,-0.6 -0.601 7.8-148.0 -72.8 118.9 -29.1 -29.3 -18.9 64 72 A P H 3> S+ 0 0 99 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.863 98.7 56.1 -53.4 -38.7 -31.9 -29.9 -16.4 65 73 A E H 3> S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -45,-0.1 0.866 106.7 49.3 -64.4 -36.9 -29.4 -29.4 -13.5 66 74 A A H <> S+ 0 0 10 -3,-0.6 4,-2.8 2,-0.2 5,-0.3 0.906 110.6 49.1 -68.9 -42.1 -28.5 -26.0 -14.9 67 75 A L H X S+ 0 0 36 -4,-2.0 4,-1.7 1,-0.2 5,-0.5 0.879 111.3 50.5 -64.8 -37.2 -32.1 -24.9 -15.2 68 76 A A H < S+ 0 0 81 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.892 111.9 50.1 -63.3 -38.9 -32.7 -26.1 -11.7 69 77 A F H < S+ 0 0 160 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.950 123.0 26.4 -67.3 -52.4 -29.7 -24.1 -10.6 70 78 A N H < S- 0 0 31 -4,-2.8 -1,-0.2 -52,-0.2 -2,-0.2 0.566 97.4-134.5 -90.9 -8.8 -30.5 -20.7 -12.2 71 79 A G < + 0 0 64 -4,-1.7 2,-0.4 -5,-0.3 -3,-0.2 0.811 49.9 151.1 62.0 33.2 -34.3 -21.3 -12.1 72 80 A I - 0 0 23 -5,-0.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.820 37.9-154.0 -98.4 134.5 -34.8 -20.1 -15.7 73 81 A D > - 0 0 91 -2,-0.4 3,-2.2 1,-0.1 6,-0.1 -0.884 3.9-165.1-105.5 100.6 -37.6 -21.4 -17.9 74 82 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 7,-0.0 0.638 87.1 56.0 -60.3 -14.4 -36.4 -21.0 -21.5 75 83 A N T 3 S+ 0 0 141 -20,-0.1 -20,-0.0 -3,-0.0 -3,-0.0 0.410 72.3 118.2-100.6 -0.6 -40.0 -21.6 -22.7 76 84 A D X - 0 0 64 -3,-2.2 3,-1.7 1,-0.2 -3,-0.0 -0.578 52.0-157.1 -72.2 112.4 -41.7 -18.8 -20.7 77 85 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 4,-0.0 0.658 87.3 63.5 -65.2 -14.7 -43.2 -16.5 -23.3 78 86 A D T 3 S+ 0 0 142 2,-0.1 2,-0.5 -3,-0.0 -2,-0.1 0.371 74.9 97.4 -97.5 2.4 -43.2 -13.6 -20.8 79 87 A R S < S- 0 0 32 -3,-1.7 2,-2.7 -6,-0.1 0, 0.0 -0.824 85.1-125.2 -83.4 128.5 -39.4 -13.5 -20.3 80 88 A G + 0 0 59 -2,-0.5 -27,-0.4 -26,-0.0 -2,-0.1 -0.092 47.5 173.1 -72.3 45.1 -38.4 -10.7 -22.7 81 89 A A - 0 0 25 -2,-2.7 2,-0.3 -27,-0.1 -27,-0.3 -0.130 11.0-171.5 -58.6 145.5 -35.9 -13.0 -24.4 82 90 A V B -f 54 0C 19 -29,-2.5 -27,-2.6 1,-0.1 -1,-0.0 -0.886 32.9 -82.9-130.5 164.9 -34.1 -11.8 -27.6 83 91 A S > - 0 0 43 -2,-0.3 4,-2.2 -29,-0.2 5,-0.2 -0.210 38.0-114.9 -61.4 157.3 -31.9 -13.5 -30.1 84 92 A E H > S+ 0 0 13 -29,-0.3 4,-2.2 1,-0.2 5,-0.3 0.899 119.7 55.9 -58.0 -39.0 -28.2 -13.9 -29.3 85 93 A Y H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.937 106.8 47.2 -57.7 -51.1 -27.6 -11.6 -32.2 86 94 A E H > S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.932 114.2 45.7 -59.8 -49.0 -29.8 -8.8 -30.8 87 95 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.950 117.7 40.7 -62.6 -52.8 -28.3 -8.9 -27.3 88 96 A L H X S+ 0 0 1 -4,-2.2 4,-3.6 2,-0.2 5,-0.3 0.865 111.1 58.0 -66.5 -36.8 -24.7 -9.0 -28.3 89 97 A H H X S+ 0 0 66 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.946 111.7 41.6 -56.8 -49.0 -25.1 -6.5 -31.1 90 98 A E H X S+ 0 0 66 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.889 116.1 48.7 -66.4 -42.5 -26.5 -4.0 -28.6 91 99 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.965 113.0 47.5 -60.6 -52.1 -23.9 -4.8 -26.0 92 100 A F H X S+ 0 0 0 -4,-3.6 4,-2.4 1,-0.2 -2,-0.2 0.853 110.8 54.1 -56.3 -35.4 -21.1 -4.6 -28.5 93 101 A K H X S+ 0 0 98 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.879 109.7 45.1 -70.0 -39.0 -22.6 -1.3 -29.7 94 102 A V H X S+ 0 0 36 -4,-2.1 4,-2.4 -3,-0.2 -2,-0.2 0.898 114.2 49.8 -69.5 -40.2 -22.6 0.3 -26.2 95 103 A V H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.894 107.8 52.9 -67.4 -41.0 -19.0 -1.0 -25.6 96 104 A R H X S+ 0 0 31 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.910 111.3 47.6 -57.3 -44.2 -17.7 0.4 -28.9 97 105 A K H X S+ 0 0 163 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.913 111.3 50.0 -64.2 -44.3 -19.2 3.8 -27.9 98 106 A G H X S+ 0 0 11 -4,-2.4 4,-1.9 2,-0.2 6,-0.3 0.899 110.5 51.8 -60.0 -41.6 -17.6 3.6 -24.5 99 107 A I H X>S+ 0 0 2 -4,-2.8 5,-2.0 2,-0.2 4,-1.1 0.962 113.0 42.6 -59.1 -54.8 -14.3 2.7 -26.1 100 108 A K H ><5S+ 0 0 133 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.929 113.1 53.1 -58.2 -48.2 -14.3 5.7 -28.4 101 109 A A H 3<5S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.867 115.9 37.9 -56.6 -41.8 -15.6 8.1 -25.8 102 110 A S H 3<5S- 0 0 46 -4,-1.9 -99,-0.4 -5,-0.2 -1,-0.2 0.513 112.0-115.1 -92.9 -6.6 -12.8 7.3 -23.3 103 111 A G T <<5 + 0 0 57 -4,-1.1 -3,-0.2 -3,-0.6 -4,-0.1 0.722 64.3 145.0 80.4 22.9 -10.1 6.9 -25.9 104 112 A a < - 0 0 13 -5,-2.0 -1,-0.2 -6,-0.3 -95,-0.2 -0.256 46.9-141.2 -80.9 177.3 -9.5 3.2 -25.3 105 113 A N S S- 0 0 96 -97,-2.4 2,-0.3 1,-0.4 -96,-0.2 0.378 72.2 -12.1-122.3 -0.1 -8.5 0.8 -28.1 106 114 A R E -a 9 0A 96 -98,-1.1 -96,-2.9 -7,-0.1 -1,-0.4 -0.951 68.5 -99.2 176.0 171.3 -10.5 -2.4 -27.2 107 115 A A E -ad 10 135A 0 27,-2.5 29,-2.4 -2,-0.3 2,-0.4 -0.821 20.6-160.6-112.6 150.8 -12.5 -4.0 -24.5 108 116 A I E -a 11 0A 1 -98,-2.1 -96,-2.5 -2,-0.3 2,-0.3 -0.999 24.2-119.5-130.4 134.4 -11.6 -6.7 -21.9 109 117 A M E -ad 12 140A 0 30,-0.6 32,-2.9 -2,-0.4 2,-0.6 -0.546 18.4-159.8 -75.6 127.1 -14.1 -8.8 -20.1 110 118 A V E +ad 13 141A 0 -98,-2.6 -96,-2.4 -2,-0.3 2,-0.3 -0.943 33.8 140.7-100.7 122.4 -14.1 -8.6 -16.3 111 119 A A E > - d 0 142A 0 30,-1.8 32,-1.7 -2,-0.6 3,-1.0 -0.989 56.6-100.2-159.0 159.2 -15.8 -11.7 -14.8 112 120 A H T 3 S- 0 0 27 1,-0.3 5,-0.2 -2,-0.3 4,-0.1 -0.752 116.7 -1.4 -88.6 121.9 -15.5 -14.1 -11.9 113 121 A N T >> S- 0 0 37 -2,-0.6 3,-1.6 231,-0.1 4,-0.6 0.984 95.9-165.0 51.6 60.3 -13.8 -17.3 -13.2 114 122 A A H <> S+ 0 0 1 -3,-1.0 4,-3.1 1,-0.3 5,-0.3 0.717 70.6 71.6 -54.6 -34.0 -13.9 -15.2 -16.4 115 123 A N H 3> S+ 0 0 58 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.852 95.0 56.8 -54.7 -36.4 -13.1 -18.0 -18.9 116 124 A F H <> S+ 0 0 58 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.977 114.4 35.7 -55.7 -58.3 -16.6 -19.4 -18.4 117 125 A D H X S+ 0 0 4 -4,-0.6 4,-1.8 1,-0.2 -2,-0.2 0.843 117.2 54.4 -68.0 -35.1 -18.4 -16.2 -19.3 118 126 A H H X S+ 0 0 13 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.927 107.0 50.0 -64.3 -46.3 -15.8 -15.3 -22.0 119 127 A S H X S+ 0 0 35 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.848 111.4 49.3 -64.0 -34.7 -16.2 -18.7 -23.8 120 128 A F H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.864 111.7 47.3 -73.1 -35.6 -20.0 -18.3 -23.8 121 129 A M H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.891 114.6 47.2 -73.2 -38.7 -20.0 -14.8 -25.2 122 130 A M H X S+ 0 0 41 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.920 111.9 50.2 -65.2 -45.6 -17.4 -15.8 -27.9 123 131 A A H X S+ 0 0 18 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.914 113.9 45.1 -59.9 -44.1 -19.4 -18.9 -28.8 124 132 A A H X S+ 0 0 0 -4,-2.1 4,-3.5 2,-0.2 5,-0.3 0.941 111.8 51.3 -65.0 -49.0 -22.6 -16.9 -29.1 125 133 A A H <>S+ 0 0 5 -4,-2.5 5,-3.1 1,-0.2 4,-0.4 0.903 112.4 47.7 -53.2 -44.2 -20.9 -14.1 -31.1 126 134 A E H ><5S+ 0 0 155 -4,-2.6 3,-0.8 3,-0.2 -1,-0.2 0.928 113.0 48.3 -62.6 -47.1 -19.6 -16.8 -33.4 127 135 A R H 3<5S+ 0 0 73 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.934 113.1 45.9 -58.8 -50.4 -23.0 -18.4 -33.8 128 136 A A T 3<5S- 0 0 24 -4,-3.5 -1,-0.3 -5,-0.1 -2,-0.2 0.532 111.0-126.9 -71.5 -4.6 -24.7 -15.1 -34.5 129 137 A S T < 5 - 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