==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-10 3NGY . COMPND 2 MOLECULE: RIBONUCLEASE T; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.-Y.HSIAO,H.S.YUAN . 796 6 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 9.8 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 . 25 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.5 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 3 1 0 5 2 4 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 . 6 1 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 . 1 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 . 1 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 70 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -1.6 -26.0 -27.0 33.9 2 10 A L H > + 0 0 14 1,-0.2 4,-0.8 2,-0.2 7,-0.1 0.931 360.0 43.2 -58.6 -47.5 -23.7 -28.6 31.2 3 11 A a H 4>S+ 0 0 12 99,-0.4 5,-2.4 1,-0.2 -1,-0.2 0.563 113.2 53.1 -81.0 -8.6 -24.3 -25.8 28.7 4 12 A D H >45S+ 0 0 123 -3,-0.4 3,-1.2 3,-0.2 -1,-0.2 0.768 97.5 68.5 -84.6 -30.8 -24.0 -23.2 31.5 5 13 A R H 3<5S+ 0 0 6 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.799 115.1 21.1 -63.7 -35.4 -20.6 -24.6 32.5 6 14 A F T ><5S- 0 0 1 -4,-0.8 3,-1.0 3,-0.3 -1,-0.3 -0.087 115.2 -99.4-125.4 33.3 -18.7 -23.5 29.4 7 15 A R T < 5S- 0 0 87 -3,-1.2 458,-0.4 1,-0.3 -3,-0.2 0.893 91.2 -33.3 53.7 50.5 -21.0 -20.8 28.1 8 16 A G T 3 - 0 0 60 1,-0.2 4,-3.2 -3,-0.1 3,-0.3 -0.712 54.9-168.8 -90.8 101.4 -0.1 -34.9 7.7 23 31 A A T 4 S+ 0 0 18 -2,-1.0 -1,-0.2 1,-0.2 5,-0.1 0.731 83.9 48.0 -62.9 -25.8 -3.8 -34.3 8.0 24 32 A K T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.844 126.5 22.2 -86.4 -31.9 -4.4 -33.5 4.3 25 33 A T T 4 S+ 0 0 47 -3,-0.3 36,-2.9 35,-0.1 2,-0.2 0.715 105.4 85.3-103.4 -26.7 -2.5 -36.5 2.8 26 34 A D B < S-e 61 0B 5 -4,-3.2 36,-0.2 34,-0.2 -6,-0.2 -0.562 79.7-103.6 -92.4 144.6 -2.4 -39.1 5.5 27 35 A A - 0 0 0 34,-2.1 -8,-2.4 -2,-0.2 2,-0.5 -0.274 17.4-137.9 -65.2 138.2 -5.1 -41.7 6.2 28 36 A L E +B 18 0A 2 -10,-0.2 -10,-0.2 27,-0.2 29,-0.1 -0.862 28.7 173.1 -84.7 128.6 -7.6 -41.4 9.1 29 37 A L E + 0 0 0 -12,-2.7 25,-3.2 -2,-0.5 2,-0.3 0.656 54.6 7.4-113.9 -24.1 -7.8 -44.9 10.5 30 38 A E E -BC 17 53A 5 -13,-1.7 -13,-2.5 23,-0.3 -1,-0.4 -0.981 53.6-176.5-162.9 144.0 -9.8 -44.8 13.7 31 39 A I E -BC 16 52A 0 21,-2.5 21,-2.8 -2,-0.3 2,-0.3 -0.980 0.9-175.5-149.3 135.9 -12.0 -42.4 15.7 32 40 A A E -BC 15 51A 0 -17,-2.2 -17,-1.8 -2,-0.3 2,-0.4 -0.964 6.2-167.2-126.2 150.7 -13.8 -42.5 19.0 33 41 A A E -BC 14 50A 1 17,-2.8 17,-3.0 -2,-0.3 2,-0.4 -0.999 5.2-167.0-137.8 139.2 -16.1 -39.9 20.6 34 42 A I E -BC 13 49A 2 -21,-2.8 -21,-2.7 -2,-0.4 15,-0.2 -0.962 9.2-155.4-128.9 117.0 -17.5 -39.5 24.1 35 43 A T E -B 12 0A 2 13,-2.3 12,-3.4 -2,-0.4 2,-0.3 -0.470 16.7-142.9 -82.0 161.1 -20.3 -37.1 25.0 36 44 A L E - C 0 46A 2 -25,-0.6 2,-0.3 10,-0.3 8,-0.1 -0.837 14.6-170.4-127.3 160.5 -20.7 -35.8 28.5 37 45 A K E - C 0 45A 97 8,-2.7 8,-2.3 -2,-0.3 2,-0.5 -0.969 18.9-129.3-145.3 158.8 -23.5 -34.9 30.9 38 46 A M E - C 0 44A 41 -2,-0.3 6,-0.2 6,-0.2 -36,-0.2 -0.953 21.5-142.8-111.3 130.6 -23.9 -33.2 34.3 39 47 A D - 0 0 56 4,-2.2 3,-0.5 -2,-0.5 -1,-0.1 0.165 41.1 -83.1 -70.4-162.0 -25.9 -34.9 37.1 40 48 A E S S+ 0 0 191 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.829 128.4 53.2 -78.6 -32.0 -28.1 -33.0 39.5 41 49 A Q S S- 0 0 144 2,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.448 121.8-104.1 -83.3 -0.2 -25.3 -32.0 41.9 42 50 A G S S+ 0 0 21 -3,-0.5 2,-0.3 1,-0.3 -2,-0.1 0.702 70.7 145.9 87.4 21.7 -23.4 -30.5 39.0 43 51 A W - 0 0 69 151,-0.0 -4,-2.2 1,-0.0 2,-0.3 -0.722 43.8-128.8 -92.1 144.0 -20.8 -33.3 38.5 44 52 A L E +C 38 0A 4 -2,-0.3 -6,-0.2 143,-0.3 147,-0.1 -0.725 36.1 157.0 -96.8 138.9 -19.5 -34.1 35.0 45 53 A M E -C 37 0A 58 -8,-2.3 -8,-2.7 -2,-0.3 139,-0.1 -0.980 44.6 -78.5-155.1 160.2 -19.5 -37.6 33.6 46 54 A P E +C 36 0A 58 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.286 38.1 177.2 -62.4 147.3 -19.4 -39.6 30.3 47 55 A D E + 0 0 77 -12,-3.4 2,-0.4 1,-0.3 -11,-0.2 0.704 59.4 2.4-113.8 -73.1 -22.7 -40.0 28.5 48 56 A T E - 0 0 60 -13,-0.2 -13,-2.3 2,-0.0 2,-0.5 -0.970 57.6-152.2-127.5 137.9 -22.4 -41.9 25.2 49 57 A T E -C 34 0A 72 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.924 10.5-174.3-110.3 128.4 -19.4 -43.5 23.5 50 58 A L E -C 33 0A 18 -17,-3.0 -17,-2.8 -2,-0.5 2,-0.4 -0.955 5.2-178.4-115.6 141.1 -19.1 -43.9 19.7 51 59 A H E +C 32 0A 60 -2,-0.4 2,-0.4 -19,-0.2 -19,-0.2 -0.984 3.5 173.4-143.9 129.9 -16.2 -45.8 18.1 52 60 A F E -C 31 0A 42 -21,-2.8 -21,-2.5 -2,-0.4 2,-0.4 -0.997 25.9-142.6-135.4 139.9 -15.4 -46.4 14.4 53 61 A H E -C 30 0A 53 27,-0.5 29,-2.5 -2,-0.4 2,-0.4 -0.838 32.6-144.3 -90.1 138.8 -12.5 -48.0 12.5 54 62 A V B -f 82 0C 3 -25,-3.2 29,-0.2 -2,-0.4 27,-0.1 -0.904 5.6-128.3-118.5 132.6 -12.0 -46.0 9.3 55 63 A E - 0 0 99 27,-3.0 29,-0.3 -2,-0.4 -27,-0.2 -0.533 39.7-101.2 -72.1 134.2 -11.0 -47.1 5.8 56 64 A P - 0 0 19 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.375 46.1-112.2 -52.0 127.6 -8.1 -45.2 4.3 57 65 A F > - 0 0 54 1,-0.2 3,-2.5 -29,-0.1 -30,-0.1 -0.285 49.1 -72.6 -64.3 153.0 -9.6 -42.7 1.9 58 66 A V T 3 S+ 0 0 143 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 -0.214 120.4 5.0 -52.0 122.9 -8.9 -43.3 -1.8 59 67 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.527 92.2 162.1 81.8 7.4 -5.3 -42.5 -2.6 60 68 A A < - 0 0 22 -3,-2.5 -1,-0.2 1,-0.1 -34,-0.2 -0.237 37.7-121.3 -62.2 144.7 -4.4 -41.8 1.0 61 69 A N B -e 26 0B 66 -36,-2.9 -34,-2.1 -39,-0.1 2,-0.4 -0.557 24.0-159.7 -80.5 153.4 -0.8 -41.8 2.1 62 70 A L - 0 0 73 -2,-0.2 -42,-0.2 -36,-0.2 3,-0.1 -0.986 6.2-152.2-138.6 124.9 0.4 -44.2 4.8 63 71 A Q >> - 0 0 67 -44,-2.7 4,-1.6 -2,-0.4 3,-0.5 -0.864 11.2-145.6 -98.6 127.1 3.5 -43.9 6.9 64 72 A P H 3> S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.874 98.9 56.0 -56.4 -41.3 5.0 -47.2 8.2 65 73 A E H 3> S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.843 104.4 52.6 -64.2 -34.9 6.2 -45.6 11.5 66 74 A A H <> S+ 0 0 17 -3,-0.5 4,-2.5 -47,-0.3 5,-0.3 0.905 109.5 49.2 -65.3 -41.7 2.6 -44.5 12.3 67 75 A L H X S+ 0 0 42 -4,-1.6 4,-1.9 1,-0.2 5,-0.3 0.861 110.0 51.3 -65.5 -37.1 1.3 -48.0 11.7 68 76 A A H < S+ 0 0 84 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.904 110.8 50.5 -64.3 -40.5 4.0 -49.4 14.0 69 77 A F H < S+ 0 0 119 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.930 122.0 28.6 -64.1 -49.9 3.0 -46.8 16.6 70 78 A N H < S- 0 0 18 -4,-2.5 -1,-0.2 -52,-0.2 -2,-0.2 0.604 96.0-135.4 -92.1 -11.4 -0.7 -47.6 16.7 71 79 A G < + 0 0 65 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.1 0.577 49.3 152.1 72.5 10.9 -0.5 -51.2 15.6 72 80 A I - 0 0 21 -5,-0.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.553 37.1-155.6 -80.9 135.2 -3.3 -50.9 13.1 73 81 A D > - 0 0 91 -2,-0.3 3,-1.9 1,-0.1 6,-0.1 -0.917 5.7-160.6-106.4 104.1 -3.5 -53.2 10.0 74 82 A P T 3 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.783 90.2 47.7 -54.9 -34.2 -5.6 -51.2 7.5 75 83 A N T 3 S+ 0 0 131 -3,-0.1 4,-0.0 -20,-0.1 -20,-0.0 0.434 74.2 132.6 -89.8 -0.9 -6.5 -54.4 5.5 76 84 A D X - 0 0 68 -3,-1.9 3,-2.1 1,-0.2 4,-0.3 -0.360 49.2-153.4 -53.0 108.3 -7.4 -56.4 8.5 77 85 A P T 3 S+ 0 0 116 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.622 92.5 55.4 -66.7 -13.2 -10.7 -57.9 7.2 78 86 A D T 3 S+ 0 0 143 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.258 80.6 93.1 -99.7 8.7 -12.0 -58.2 10.8 79 87 A R S < S- 0 0 22 -3,-2.1 -1,-0.2 -6,-0.1 -26,-0.2 0.840 81.3-143.6 -70.0 -33.2 -11.4 -54.5 11.4 80 88 A G - 0 0 60 -4,-0.3 -27,-0.5 -3,-0.3 2,-0.1 0.888 30.6-175.6 68.9 41.4 -15.0 -53.7 10.4 81 89 A A - 0 0 37 -5,-0.3 -27,-0.3 -7,-0.1 2,-0.2 -0.394 9.9-169.6 -74.2 144.2 -13.9 -50.4 8.8 82 90 A V B -f 54 0C 28 -29,-2.5 -27,-3.0 -2,-0.1 -1,-0.0 -0.756 33.6 -80.0-121.4 173.3 -16.3 -47.9 7.4 83 91 A S > - 0 0 56 -2,-0.2 4,-2.2 -29,-0.2 5,-0.2 -0.328 37.1-116.8 -68.7 155.8 -15.9 -44.8 5.2 84 92 A G H > S+ 0 0 19 -29,-0.3 4,-2.3 1,-0.2 5,-0.3 0.821 117.2 57.9 -60.7 -31.0 -14.9 -41.5 6.9 85 93 A Y H > S+ 0 0 119 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.944 107.3 44.8 -62.4 -49.3 -18.2 -40.2 5.7 86 94 A E H > S+ 0 0 105 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.903 116.3 45.7 -64.9 -44.0 -20.2 -42.8 7.6 87 95 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.962 118.4 40.5 -63.7 -53.4 -18.2 -42.5 10.8 88 96 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.810 110.4 58.0 -70.7 -31.5 -18.1 -38.7 10.9 89 97 A H H X S+ 0 0 55 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.915 110.5 43.1 -65.3 -41.0 -21.8 -38.3 9.9 90 98 A E H X S+ 0 0 81 -4,-1.5 4,-2.3 -5,-0.2 5,-0.2 0.888 114.9 49.0 -72.5 -39.7 -23.0 -40.4 12.8 91 99 A I H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.952 113.8 47.2 -60.6 -49.1 -20.7 -38.8 15.3 92 100 A F H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.879 111.7 51.8 -58.0 -40.9 -21.8 -35.3 14.0 93 101 A K H X S+ 0 0 105 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.904 109.7 46.9 -66.9 -43.5 -25.4 -36.4 14.2 94 102 A V H X S+ 0 0 34 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 115.2 48.0 -64.8 -41.6 -25.2 -37.6 17.8 95 103 A V H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.909 109.1 52.8 -62.0 -44.5 -23.4 -34.4 18.7 96 104 A R H X S+ 0 0 73 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.878 110.1 48.8 -61.0 -38.4 -26.0 -32.3 16.9 97 105 A K H X S+ 0 0 138 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.938 110.1 51.0 -64.5 -47.6 -28.8 -34.0 18.8 98 106 A G H X S+ 0 0 14 -4,-2.3 4,-0.7 1,-0.2 6,-0.3 0.861 107.5 56.0 -57.7 -37.6 -27.0 -33.4 22.1 99 107 A I H >X>S+ 0 0 17 -4,-2.1 5,-1.7 1,-0.2 4,-1.3 0.965 111.9 36.4 -63.3 -58.2 -26.5 -29.8 21.4 100 108 A K H 3<5S+ 0 0 158 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.658 115.3 57.8 -73.4 -14.3 -30.1 -28.7 20.8 101 109 A A H 3<5S+ 0 0 86 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.583 114.0 37.2 -87.6 -11.7 -31.3 -31.0 23.5 102 110 A S H <<5S- 0 0 49 -3,-1.1 -99,-0.4 -4,-0.7 -2,-0.2 0.542 112.7-107.3-117.6 -13.5 -29.1 -29.4 26.1 103 111 A G T <5S+ 0 0 44 -4,-1.3 364,-1.3 1,-0.3 -3,-0.2 0.612 73.9 130.1 94.6 13.9 -29.3 -25.7 25.2 104 112 A a B < -G 466 0D 5 -5,-1.7 -1,-0.3 -6,-0.3 -95,-0.2 -0.407 46.4-153.5 -86.3 172.2 -25.8 -25.3 23.8 105 113 A N S S+ 0 0 89 -97,-2.2 2,-0.3 360,-1.0 -96,-0.1 0.567 71.7 18.9-121.9 -18.3 -25.0 -23.7 20.4 106 114 A R E -a 9 0A 68 -98,-1.5 -96,-2.6 359,-0.4 -1,-0.4 -0.996 68.8-123.1-152.8 149.4 -21.8 -25.3 19.3 107 115 A A E -ad 10 135A 0 27,-3.1 29,-2.5 -2,-0.3 2,-0.4 -0.642 20.5-157.6 -89.5 150.5 -19.6 -28.4 20.1 108 116 A I E -a 11 0A 0 -98,-2.0 -96,-2.3 -2,-0.3 2,-0.3 -0.995 19.1-121.1-130.5 130.2 -16.0 -28.1 21.3 109 117 A M E -ad 12 140A 1 30,-0.6 32,-3.0 -2,-0.4 2,-0.5 -0.490 19.4-163.4 -70.9 128.9 -13.5 -30.9 20.9 110 118 A V E +ad 13 141A 0 -98,-2.8 -96,-2.8 -2,-0.3 2,-0.3 -0.971 32.0 140.5-107.3 122.5 -11.8 -32.2 24.1 111 119 A A E > - d 0 142A 0 30,-1.8 32,-2.1 -2,-0.5 3,-0.9 -0.995 57.7 -97.8-158.9 157.6 -8.7 -34.2 23.3 112 120 A H T 3 S+ 0 0 21 -98,-0.4 5,-0.2 1,-0.3 30,-0.1 -0.734 117.1 0.0 -83.1 122.5 -5.1 -34.9 24.4 113 121 A N T >> S- 0 0 60 -2,-0.6 3,-1.3 233,-0.1 4,-0.9 0.983 92.5-168.2 55.5 60.9 -2.9 -32.7 22.2 114 122 A A H <> S+ 0 0 0 -3,-0.9 4,-3.2 1,-0.3 5,-0.3 0.705 70.0 65.8 -59.9 -33.1 -6.2 -31.5 20.6 115 123 A N H 3> S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.849 101.4 53.5 -63.3 -30.4 -4.9 -29.6 17.6 116 124 A F H <> S+ 0 0 48 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.990 115.2 37.5 -60.3 -60.5 -3.6 -32.9 16.2 117 125 A D H X S+ 0 0 5 -4,-0.9 4,-2.2 -5,-0.2 -2,-0.2 0.874 117.2 52.9 -62.0 -38.2 -7.0 -34.7 16.5 118 126 A H H X S+ 0 0 16 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.925 107.0 51.2 -64.6 -45.9 -8.9 -31.5 15.5 119 127 A S H X S+ 0 0 47 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.906 112.3 46.8 -58.3 -43.4 -6.9 -31.0 12.3 120 128 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.889 111.4 50.4 -68.0 -39.0 -7.5 -34.6 11.2 121 129 A M H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 112.4 47.3 -64.9 -42.7 -11.2 -34.5 12.0 122 130 A M H X S+ 0 0 56 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.918 111.5 50.2 -64.7 -44.2 -11.7 -31.3 10.0 123 131 A A H X S+ 0 0 23 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.898 112.6 47.0 -62.3 -41.1 -9.7 -32.6 7.0 124 132 A A H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.879 110.9 51.2 -69.0 -38.4 -11.8 -35.8 7.0 125 133 A A H <>S+ 0 0 5 -4,-2.3 5,-2.1 2,-0.2 4,-0.3 0.896 110.8 50.3 -63.2 -38.5 -15.0 -33.8 7.3 126 134 A E H ><5S+ 0 0 149 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.947 109.4 49.9 -63.5 -49.4 -13.8 -31.7 4.4 127 135 A R H 3<5S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.856 112.0 48.2 -55.5 -39.7 -13.0 -34.7 2.2 128 136 A A T 3<5S- 0 0 21 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.463 106.6-129.2 -83.6 -1.4 -16.5 -36.2 2.9 129 137 A S T < 5 + 0 0 92 -3,-1.5 2,-0.7 -4,-0.3 -3,-0.2 0.852 38.7 178.2 53.6 37.5 -18.1 -32.9 2.1 130 138 A L < - 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