==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAY-07 2PQX . COMPND 2 MOLECULE: RIBONUCLEASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.MESSENS,R.LORIS,L.WYNS . 245 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 9 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 0 0 1 1 1 2 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 1 0 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 1 A L 0 0 160 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-146.2 30.3 32.3 38.5 2 2 A A - 0 0 52 2,-0.0 2,-0.5 145,-0.0 141,-0.1 -0.832 360.0-139.0-103.1 128.9 27.2 32.0 36.2 3 3 A L + 0 0 1 -2,-0.5 2,-0.3 140,-0.2 214,-0.1 -0.694 32.4 169.5 -82.2 125.4 26.6 29.1 33.9 4 4 A Q - 0 0 127 -2,-0.5 136,-0.4 134,-0.1 2,-0.3 -1.000 30.7-131.6-141.8 140.6 25.3 30.3 30.5 5 5 A A - 0 0 29 -2,-0.3 133,-0.2 1,-0.1 3,-0.1 -0.661 7.6-164.6 -87.3 144.1 24.7 28.6 27.1 6 6 A K S S+ 0 0 169 131,-3.6 2,-0.3 1,-0.3 132,-0.2 0.551 77.9 14.5-101.2 -14.2 26.1 30.5 24.0 7 7 A Q S S+ 0 0 98 130,-0.9 -1,-0.3 1,-0.1 132,-0.1 -0.981 123.6 21.3-156.4 154.5 24.0 28.3 21.7 8 8 A Y S S+ 0 0 58 -2,-0.3 57,-0.1 1,-0.1 3,-0.1 0.796 73.4 150.1 55.4 30.0 21.0 25.9 21.8 9 9 A G + 0 0 44 1,-0.2 2,-1.1 -4,-0.1 -1,-0.1 0.413 33.7 101.1 -75.8 4.7 20.2 27.6 25.1 10 10 A D + 0 0 66 2,-0.0 53,-2.6 0, 0.0 2,-0.3 -0.259 49.1 117.0 -88.5 50.8 16.5 27.0 24.8 11 11 A F - 0 0 17 -2,-1.1 50,-0.1 51,-0.3 3,-0.1 -0.799 56.6-145.7-107.9 156.6 16.3 24.0 27.2 12 12 A D + 0 0 92 -2,-0.3 201,-2.4 49,-0.3 202,-0.4 0.535 68.0 21.7-103.0 -4.9 14.2 24.2 30.3 13 13 A R E -A 212 0A 63 199,-0.3 47,-3.1 200,-0.2 2,-0.4 -0.968 52.2-141.4-156.1 168.8 16.2 22.0 32.7 14 14 A Y E -AB 211 59A 7 197,-2.5 197,-3.1 -2,-0.3 2,-0.6 -0.970 19.0-140.8-130.6 144.3 19.4 20.4 33.8 15 15 A V E -AB 210 58A 24 43,-2.1 43,-3.2 -2,-0.4 2,-0.7 -0.951 13.6-150.6-108.1 116.2 19.7 16.9 35.3 16 16 A L E -AB 209 57A 0 193,-3.0 193,-2.7 -2,-0.6 2,-0.6 -0.803 13.3-158.1 -85.7 117.4 22.3 16.9 38.1 17 17 A A E -AB 208 56A 0 39,-3.0 38,-2.9 -2,-0.7 39,-2.0 -0.892 12.4-178.6-104.2 117.3 23.7 13.4 38.1 18 18 A L E -AB 207 54A 0 189,-3.2 189,-3.4 -2,-0.6 2,-0.2 -0.967 15.6-144.2-118.9 124.9 25.3 12.3 41.4 19 19 A S E -AB 206 53A 8 34,-1.8 34,-2.6 -2,-0.5 2,-1.3 -0.596 14.2-136.8 -86.8 144.5 26.9 8.9 41.9 20 20 A W E >> - B 0 52A 0 185,-2.2 4,-2.3 -2,-0.2 3,-0.6 -0.870 31.7-157.4 -95.2 92.7 26.7 7.1 45.1 21 21 A Q H 3> S+ 0 0 15 30,-2.8 4,-2.5 -2,-1.3 5,-0.2 0.788 83.3 52.7 -46.1 -43.9 30.4 6.2 44.6 22 22 A T H 3> S+ 0 0 2 29,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.936 113.4 45.6 -61.3 -44.2 30.6 3.2 46.7 23 23 A G H <> S+ 0 0 0 -3,-0.6 4,-2.8 218,-0.3 -2,-0.2 0.873 109.6 54.4 -65.9 -38.5 27.6 1.7 44.9 24 24 A F H X S+ 0 0 51 -4,-2.3 4,-2.4 181,-0.2 -1,-0.2 0.952 111.8 45.1 -58.7 -49.1 29.1 2.7 41.5 25 25 A a H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.884 111.8 51.9 -62.4 -39.7 32.2 0.8 42.4 26 26 A Q H X S+ 0 0 16 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.921 110.6 49.2 -62.8 -44.0 30.2 -2.2 43.7 27 27 A S H X S+ 0 0 14 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.919 108.3 51.1 -61.9 -47.4 28.3 -2.3 40.5 28 28 A Q H <>S+ 0 0 46 -4,-2.4 5,-2.5 1,-0.2 -1,-0.2 0.913 114.8 46.6 -55.0 -44.0 31.4 -2.2 38.2 29 29 A H H ><5S+ 0 0 91 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.912 110.6 49.7 -65.8 -47.5 32.7 -5.1 40.4 30 30 A D H 3<5S+ 0 0 77 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.794 109.7 52.5 -65.2 -27.4 29.5 -7.2 40.3 31 31 A R T 3<5S- 0 0 79 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.357 118.0-112.2 -89.5 4.9 29.3 -6.8 36.5 32 32 A N T < 5 + 0 0 88 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.922 61.8 154.4 65.8 46.6 32.8 -8.1 36.1 33 33 A R < - 0 0 74 -5,-2.5 -1,-0.2 -6,-0.1 3,-0.1 -0.826 52.7 -98.2-103.0 145.7 34.4 -4.8 34.9 34 34 A N - 0 0 154 -2,-0.4 2,-0.2 1,-0.1 -1,-0.1 -0.337 48.7-100.9 -60.9 142.5 38.1 -4.2 35.4 35 35 A E - 0 0 99 4,-0.0 2,-0.3 -6,-0.0 -1,-0.1 -0.456 30.0-146.1 -71.8 133.7 38.7 -1.9 38.4 36 36 A R >> - 0 0 57 -2,-0.2 3,-1.7 1,-0.1 4,-1.4 -0.770 29.4-112.0 -95.1 144.0 39.4 1.7 37.8 37 37 A D H 3> S+ 0 0 49 -2,-0.3 4,-3.0 1,-0.3 5,-0.4 0.847 115.1 73.1 -42.3 -38.9 41.8 3.4 40.2 38 38 A E H 34 S+ 0 0 21 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.888 106.3 32.3 -38.0 -55.6 38.7 5.4 41.3 39 39 A a H <4 S+ 0 0 6 -3,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.838 119.4 47.3 -77.5 -40.9 37.4 2.3 43.1 40 40 A R H < S+ 0 0 62 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.763 116.7 47.4 -74.6 -23.7 40.6 0.5 44.2 41 41 A L S < S+ 0 0 71 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.614 90.1 112.4 -87.9 -15.4 41.8 3.8 45.5 42 42 A Q + 0 0 35 -5,-0.4 2,-0.2 -4,-0.3 -3,-0.1 -0.377 45.4 174.7 -62.7 127.4 38.4 4.4 47.2 43 43 A T - 0 0 101 -2,-0.2 2,-0.1 1,-0.1 -2,-0.1 -0.749 38.6 -78.3-127.3 175.3 38.6 4.3 51.0 44 44 A E - 0 0 92 -2,-0.2 2,-0.3 199,-0.1 3,-0.1 -0.478 48.4-155.6 -70.8 145.5 36.3 4.9 53.9 45 45 A T - 0 0 48 -2,-0.1 3,-0.1 1,-0.1 198,-0.1 -0.886 22.9-125.1-124.6 157.8 35.8 8.5 54.7 46 46 A T S S+ 0 0 149 -2,-0.3 2,-0.9 1,-0.2 -1,-0.1 0.932 105.0 50.4 -64.7 -50.3 34.8 10.3 57.9 47 47 A N S > S- 0 0 45 1,-0.2 3,-2.3 -3,-0.1 -1,-0.2 -0.808 73.0-163.1 -94.2 102.7 31.8 12.1 56.3 48 48 A K G > S+ 0 0 51 -2,-0.9 3,-1.9 1,-0.3 -1,-0.2 0.762 85.0 71.2 -57.0 -26.0 29.8 9.3 54.6 49 49 A A G > S+ 0 0 13 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.760 81.4 74.9 -63.0 -22.2 27.9 12.0 52.6 50 50 A D G < S+ 0 0 77 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.547 77.3 74.3 -69.2 -4.9 31.2 12.5 50.7 51 51 A F G < S+ 0 0 8 -3,-1.9 -30,-2.8 -4,-0.1 2,-1.0 0.562 74.4 91.5 -81.3 -8.3 30.6 9.3 48.8 52 52 A L E < +B 20 0A 1 -3,-2.1 -32,-0.2 -32,-0.2 2,-0.2 -0.793 68.0 176.2 -86.9 105.2 27.9 11.2 46.9 53 53 A T E -B 19 0A 9 -34,-2.6 -34,-1.8 -2,-1.0 2,-0.4 -0.619 33.3 -91.2-111.6 170.0 30.1 12.4 44.0 54 54 A V E +B 18 0A 3 61,-3.2 -36,-0.2 -36,-0.2 3,-0.1 -0.673 37.6 164.5 -84.9 126.9 29.6 14.3 40.8 55 55 A H E - 0 0 51 -38,-2.9 2,-0.3 -2,-0.4 -37,-0.2 0.777 61.8 -64.7-101.5 -50.9 28.8 12.3 37.6 56 56 A G E -B 17 0A 0 -39,-2.0 -39,-3.0 92,-0.1 2,-0.4 -0.992 30.1-108.8 179.9-179.5 27.6 15.3 35.5 57 57 A L E -B 16 0A 0 -2,-0.3 -41,-0.2 -41,-0.2 91,-0.1 -0.942 36.5-163.3-134.5 108.1 25.1 18.1 34.8 58 58 A W E -B 15 0A 43 -43,-3.2 -43,-2.1 -2,-0.4 76,-0.1 -0.832 11.5-140.0-107.1 110.5 23.0 17.3 31.8 59 59 A P E -B 14 0A 2 0, 0.0 -45,-0.3 0, 0.0 20,-0.0 -0.313 28.8-117.1 -61.1 144.1 21.0 20.0 29.9 60 60 A G - 0 0 12 -47,-3.1 12,-0.0 1,-0.2 -45,-0.0 -0.178 51.2 -61.6 -73.2 175.2 17.6 18.8 28.8 61 61 A L - 0 0 28 1,-0.1 -49,-0.3 -50,-0.1 -1,-0.2 -0.426 58.5-128.7 -61.5 113.8 16.6 18.5 25.2 62 62 A P >> - 0 0 0 0, 0.0 4,-2.9 0, 0.0 3,-0.8 -0.392 9.3-129.6 -65.6 142.3 16.8 22.0 23.7 63 63 A K H 3> S+ 0 0 105 -53,-2.6 4,-2.5 1,-0.3 5,-0.1 0.879 110.0 57.5 -58.6 -37.0 13.6 23.1 21.8 64 64 A S H 34 S+ 0 0 37 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.797 111.7 41.7 -64.0 -29.3 15.8 24.1 18.9 65 65 A V H X4>S+ 0 0 0 -3,-0.8 3,-1.4 2,-0.2 5,-1.3 0.887 112.9 50.9 -84.3 -44.4 17.2 20.6 18.7 66 66 A A H ><5S+ 0 0 39 -4,-2.9 3,-2.1 1,-0.3 -2,-0.2 0.873 101.6 65.7 -59.3 -35.8 13.8 18.9 19.3 67 67 A A T 3<5S+ 0 0 80 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.759 96.1 56.6 -58.2 -26.1 12.5 21.1 16.5 68 68 A R T < 5S- 0 0 139 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.200 132.3 -85.8 -94.0 17.0 14.8 19.2 14.1 69 69 A G T < 5S+ 0 0 55 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.429 82.2 138.5 99.8 -1.8 13.4 15.8 14.9 70 70 A V < - 0 0 4 -5,-1.3 -1,-0.3 15,-0.1 2,-0.2 -0.663 35.9-158.4 -80.0 124.7 15.4 14.8 17.9 71 71 A D > - 0 0 78 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.502 32.5 -96.1 -97.4 173.3 13.3 13.1 20.7 72 72 A E H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.875 121.4 49.6 -54.8 -43.8 14.0 12.8 24.4 73 73 A R H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 111.0 48.5 -65.7 -41.8 15.5 9.3 24.1 74 74 A R H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.901 111.4 50.6 -65.1 -39.2 17.9 10.2 21.3 75 75 A W H X S+ 0 0 13 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.900 110.1 50.6 -64.4 -39.7 19.0 13.3 23.2 76 76 A M H < S+ 0 0 120 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.880 112.9 46.9 -65.2 -37.8 19.7 11.1 26.3 77 77 A R H < S+ 0 0 47 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.909 132.2 11.2 -72.9 -43.1 21.7 8.7 24.2 78 78 A F H >< S- 0 0 82 -4,-2.5 3,-2.4 1,-0.2 13,-0.3 0.615 75.8-177.3-115.9 -13.2 23.9 11.0 22.3 79 79 A G G >< S+ 0 0 0 -4,-2.3 3,-2.4 -5,-0.4 8,-0.2 -0.235 79.5 8.7 52.6-130.5 23.6 14.5 23.8 80 80 A b G 3 S+ 0 0 0 52,-2.9 8,-2.6 1,-0.3 -1,-0.3 0.642 127.7 64.5 -54.8 -16.7 25.6 17.0 21.8 81 81 A A G < S+ 0 0 13 -3,-2.4 -1,-0.3 6,-0.3 -2,-0.2 0.430 73.2 124.5 -89.7 0.1 26.3 14.3 19.2 82 82 A T < > - 0 0 2 -3,-2.4 5,-2.5 -7,-0.1 6,-0.2 -0.233 59.9 -95.6 -61.1 149.2 22.7 14.0 18.1 83 83 A R T 5S+ 0 0 99 1,-0.2 -1,-0.1 3,-0.2 -2,-0.1 -0.858 98.9 18.8-112.1 152.3 21.9 14.4 14.4 84 84 A P T 5S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 -15,-0.1 -0.960 125.3 45.0 -68.8 -25.7 21.0 16.5 12.5 85 85 A I T 5S+ 0 0 32 -20,-0.2 -4,-0.1 1,-0.1 -17,-0.1 -0.963 113.0 7.8-138.6 155.5 22.1 18.9 15.3 86 86 A P T 5S+ 0 0 11 0, 0.0 -3,-0.2 0, 0.0 -5,-0.1 -0.986 75.7 178.1 -67.8 -19.2 24.1 19.7 17.3 87 87 A N < + 0 0 96 -5,-2.5 -6,-0.3 -8,-0.2 -4,-0.1 0.815 17.0 156.4 60.0 35.7 26.0 16.9 15.5 88 88 A L - 0 0 46 -8,-2.6 -1,-0.1 1,-0.2 3,-0.1 -0.418 57.1 -69.4 -82.9 167.2 29.3 17.2 17.5 89 89 A P - 0 0 114 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.269 60.0-103.8 -56.8 143.9 31.6 14.2 17.7 90 90 A E - 0 0 101 -9,-0.1 2,-0.4 -3,-0.1 42,-0.1 -0.551 27.7-136.8 -74.9 127.4 30.2 11.4 19.8 91 91 A A - 0 0 9 -2,-0.3 2,-0.5 -13,-0.3 5,-0.1 -0.693 23.3-157.7 -82.0 129.4 31.7 11.1 23.2 92 92 A R > - 0 0 75 -2,-0.4 3,-1.9 3,-0.3 6,-0.2 -0.946 24.3-146.8-119.7 134.7 32.4 7.4 24.1 93 93 A A G > S+ 0 0 75 -2,-0.5 3,-0.6 1,-0.3 -1,-0.1 0.745 101.5 63.8 -61.0 -24.7 32.7 5.8 27.5 94 94 A S G 3 S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.559 118.8 22.7 -77.5 -9.3 35.3 3.4 25.9 95 95 A R G X + 0 0 129 -3,-1.9 3,-1.7 1,-0.1 4,-0.4 -0.259 68.1 152.8-153.9 57.7 37.6 6.4 25.2 96 96 A M G X S+ 0 0 30 -3,-0.6 3,-1.3 1,-0.3 27,-0.1 0.840 76.6 57.7 -59.9 -34.2 36.8 9.2 27.5 97 97 A c G 3 S+ 0 0 49 1,-0.2 -1,-0.3 25,-0.2 27,-0.1 0.582 94.8 68.1 -73.9 -7.1 40.4 10.6 27.3 98 98 A S G < S+ 0 0 88 -3,-1.7 -1,-0.2 -6,-0.2 -2,-0.2 0.614 80.6 93.5 -84.9 -14.3 40.0 10.8 23.6 99 99 A S S < S- 0 0 13 -3,-1.3 29,-0.1 -4,-0.4 28,-0.1 -0.424 96.2 -80.4 -73.1 156.2 37.5 13.6 24.0 100 100 A P - 0 0 101 0, 0.0 31,-0.1 0, 0.0 -1,-0.1 -0.182 47.8-100.4 -58.2 147.5 38.9 17.1 23.8 101 101 A E - 0 0 72 1,-0.1 -4,-0.0 -3,-0.1 -3,-0.0 -0.464 32.7-135.1 -63.8 143.2 40.6 18.6 26.9 102 102 A T - 0 0 19 -2,-0.1 -1,-0.1 -3,-0.1 3,-0.1 0.719 21.6-126.2 -79.1 -21.5 38.0 20.9 28.5 103 103 A G + 0 0 66 1,-0.2 39,-0.1 38,-0.1 -1,-0.1 0.588 49.7 165.1 85.4 9.5 40.3 23.9 29.2 104 104 A L - 0 0 27 37,-0.1 -1,-0.2 1,-0.1 -2,-0.0 -0.285 41.3-106.5 -59.0 143.2 39.2 23.8 32.8 105 105 A S > - 0 0 43 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.301 23.0-115.0 -70.7 158.8 41.4 25.9 35.1 106 106 A L H > S+ 0 0 161 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.886 117.3 53.6 -60.5 -38.3 43.8 24.1 37.5 107 107 A E H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 111.5 42.4 -62.5 -49.4 41.8 25.6 40.4 108 108 A T H > S+ 0 0 19 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.886 112.4 55.5 -66.4 -35.9 38.5 24.2 39.1 109 109 A A H X S+ 0 0 40 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.890 107.6 49.7 -62.6 -38.5 40.1 20.9 38.2 110 110 A A H X S+ 0 0 65 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.927 114.4 43.4 -65.7 -45.2 41.4 20.7 41.8 111 111 A K H X S+ 0 0 86 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.907 115.2 50.0 -65.9 -42.4 37.9 21.4 43.2 112 112 A L H >X S+ 0 0 1 -4,-3.2 3,-1.2 1,-0.2 4,-1.0 0.919 106.3 56.1 -62.3 -45.0 36.3 19.1 40.7 113 113 A S H 3< S+ 0 0 65 -4,-2.7 3,-0.4 1,-0.3 -1,-0.2 0.835 98.4 60.2 -58.1 -37.2 38.7 16.2 41.5 114 114 A E H 3< S+ 0 0 166 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.779 120.5 26.7 -65.1 -23.9 37.9 16.2 45.2 115 115 A V H << S+ 0 0 13 -3,-1.2 -61,-3.2 -4,-0.7 -1,-0.2 0.323 122.0 52.4-120.6 5.8 34.2 15.4 44.3 116 116 A M >< - 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