==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 12-JAN-06 2FO5 . COMPND 2 MOLECULE: CYSTEINE PROTEINASE EP-B 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR M.T.BETHUNE,P.STROP,A.T.BRUNGER,C.KHOSLA . 908 8 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37417.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 566 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 18.1 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 . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 68 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 6 0 0 6 0 0 8 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 20 8 0 4 8 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 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 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 3 A D 0 0 214 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.1 -40.2 3.1 -9.0 2 4 A L - 0 0 65 1,-0.1 127,-0.1 2,-0.1 126,-0.0 -0.486 360.0-116.9 -75.7 133.8 -38.7 -0.1 -10.4 3 5 A P - 0 0 56 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.338 21.2-126.1 -64.0 149.7 -40.5 -1.8 -13.3 4 6 A P S S+ 0 0 116 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.699 90.3 21.6 -71.6 -16.0 -41.8 -5.3 -12.4 5 7 A S - 0 0 72 168,-0.1 2,-0.3 127,-0.0 168,-0.2 -0.991 62.3-172.7-150.7 151.2 -39.9 -6.8 -15.4 6 8 A V E +A 172 0A 18 166,-3.0 166,-2.0 -2,-0.3 2,-0.2 -0.977 9.3 168.4-149.9 134.0 -37.0 -6.0 -17.7 7 9 A D E >> -A 171 0A 28 -2,-0.3 3,-1.0 164,-0.2 4,-0.8 -0.708 10.5-174.8-148.8 92.1 -35.6 -7.7 -20.8 8 10 A W T 34>S+ 0 0 25 162,-2.8 5,-2.4 1,-0.3 6,-0.4 0.666 84.1 69.0 -62.4 -15.4 -33.0 -5.8 -22.8 9 11 A R T >45S+ 0 0 94 161,-0.3 3,-1.4 1,-0.2 5,-0.3 0.920 98.6 49.3 -67.9 -42.2 -33.1 -8.5 -25.4 10 12 A Q T <45S+ 0 0 142 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.714 107.0 56.9 -68.1 -22.4 -36.6 -7.4 -26.4 11 13 A K T 3<5S- 0 0 129 -4,-0.8 -1,-0.3 405,-0.1 -2,-0.2 0.291 116.7-111.6 -94.3 12.0 -35.5 -3.8 -26.6 12 14 A G T < 5S+ 0 0 11 -3,-1.4 -3,-0.2 2,-0.1 -2,-0.1 0.816 86.7 115.4 66.2 32.9 -32.8 -4.7 -29.2 13 15 A A < + 0 0 4 -5,-2.4 2,-0.4 157,-0.1 27,-0.2 0.238 58.3 74.6-114.8 12.2 -29.9 -4.0 -26.9 14 16 A V - 0 0 18 -6,-0.4 -2,-0.1 -5,-0.3 3,-0.1 -0.981 65.2-150.3-131.7 125.2 -28.5 -7.5 -26.7 15 17 A T - 0 0 13 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.071 42.5 -64.8 -78.1-174.6 -26.5 -9.3 -29.5 16 18 A G - 0 0 47 1,-0.1 2,-0.2 0, 0.0 -1,-0.2 -0.227 57.9 -91.5 -72.1 162.6 -26.5 -13.1 -30.1 17 19 A V - 0 0 31 178,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.532 45.6-160.7 -74.3 134.7 -25.1 -15.6 -27.6 18 20 A K - 0 0 54 168,-0.4 171,-2.6 -2,-0.2 2,-0.5 -0.627 16.6-130.1-112.2 173.1 -21.5 -16.6 -28.2 19 21 A D B -I 188 0B 94 169,-0.3 169,-0.2 -2,-0.2 168,-0.1 -0.974 8.5-165.3-125.3 113.5 -19.2 -19.4 -27.2 20 22 A Q > - 0 0 10 167,-2.9 3,-0.9 -2,-0.5 5,-0.1 0.689 30.1-162.3 -70.9 -18.5 -15.9 -18.4 -25.6 21 23 A G T 3 - 0 0 39 166,-0.4 -1,-0.2 1,-0.2 4,-0.1 -0.336 54.3 -24.8 71.1-152.6 -14.6 -21.9 -26.1 22 24 A K T 3 S+ 0 0 201 2,-0.1 2,-0.2 71,-0.1 -1,-0.2 0.667 109.6 103.0 -69.0 -20.8 -11.6 -23.2 -24.2 23 25 A a S < S- 0 0 5 -3,-0.9 2,-2.3 1,-0.1 43,-0.1 -0.484 75.9-132.9 -68.5 129.7 -10.2 -19.7 -23.6 24 26 A G + 0 0 2 41,-1.7 3,-0.3 -2,-0.2 43,-0.3 -0.303 66.6 127.4 -79.0 56.7 -10.8 -18.4 -20.1 25 27 A S >> + 0 0 0 -2,-2.3 4,-1.9 1,-0.2 3,-0.9 0.032 17.1 123.0-102.9 24.5 -12.1 -15.1 -21.6 26 28 A C H 3> S+ 0 0 0 877,-1.8 4,-2.8 1,-0.3 5,-0.2 0.872 72.6 59.5 -52.5 -39.8 -15.4 -15.0 -19.8 27 29 A W H 3> S+ 0 0 0 875,-0.3 4,-2.0 -3,-0.3 -1,-0.3 0.860 105.4 48.4 -58.9 -37.1 -14.4 -11.5 -18.4 28 30 A A H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.897 112.2 47.7 -71.7 -40.5 -14.0 -10.2 -21.9 29 31 A F H X S+ 0 0 10 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.909 111.5 50.4 -66.6 -41.4 -17.4 -11.5 -23.0 30 32 A S H X S+ 0 0 2 -4,-2.8 4,-1.8 136,-0.2 -2,-0.2 0.939 110.8 50.0 -60.5 -47.4 -19.2 -10.1 -19.9 31 33 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.922 109.9 50.7 -56.8 -48.2 -17.6 -6.7 -20.5 32 34 A V H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.870 104.5 56.4 -61.5 -39.2 -18.7 -6.7 -24.2 33 35 A V H X S+ 0 0 12 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.961 111.5 44.4 -57.2 -48.8 -22.3 -7.6 -23.4 34 36 A S H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.873 116.2 45.2 -63.6 -40.4 -22.5 -4.5 -21.1 35 37 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.898 112.5 50.3 -72.5 -39.9 -20.7 -2.2 -23.6 36 38 A E H X S+ 0 0 2 -4,-3.3 4,-1.7 -5,-0.2 11,-0.3 0.905 112.8 51.7 -61.5 -37.8 -22.8 -3.5 -26.5 37 39 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.948 110.0 42.4 -64.8 -53.6 -25.8 -2.8 -24.3 38 40 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.803 113.3 54.9 -67.1 -27.6 -25.2 0.8 -23.2 39 41 A N H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 6,-0.6 0.887 109.6 46.5 -71.8 -36.9 -24.1 1.7 -26.8 40 42 A A H X S+ 0 0 7 -4,-1.7 4,-2.5 -27,-0.2 -2,-0.2 0.906 113.5 49.2 -69.0 -42.2 -27.4 0.4 -28.2 41 43 A I H < S+ 0 0 42 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.882 117.2 40.5 -65.2 -38.9 -29.4 2.2 -25.5 42 44 A R H < S+ 0 0 94 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.780 132.2 21.9 -82.4 -28.0 -27.6 5.5 -26.0 43 45 A T H < S- 0 0 0 -4,-2.0 -3,-0.2 2,-0.2 -2,-0.2 0.626 92.1-126.8-114.0 -20.8 -27.4 5.4 -29.8 44 46 A G S < S+ 0 0 12 -4,-2.5 2,-0.6 -5,-0.4 -4,-0.2 0.477 75.9 114.3 84.3 2.3 -30.2 3.0 -30.9 45 47 A S - 0 0 12 -6,-0.6 2,-0.8 189,-0.1 -1,-0.2 -0.930 58.5-148.4-111.6 117.3 -27.6 1.1 -32.9 46 48 A L + 0 0 35 -2,-0.6 2,-0.4 373,-0.1 -9,-0.1 -0.752 24.5 177.2 -87.8 112.7 -26.8 -2.5 -31.8 47 49 A V - 0 0 28 -2,-0.8 2,-0.5 -11,-0.3 -32,-0.1 -0.953 28.8-128.9-121.1 134.6 -23.2 -3.3 -32.7 48 50 A S - 0 0 52 -2,-0.4 38,-2.5 1,-0.0 39,-0.4 -0.671 32.5-153.6 -80.7 126.2 -21.3 -6.5 -32.0 49 51 A L B -J 85 0C 1 -2,-0.5 2,-0.8 36,-0.3 36,-0.3 -0.543 18.5 -95.9-102.6 167.0 -18.0 -5.7 -30.3 50 52 A S > + 0 0 0 34,-2.6 4,-0.9 -2,-0.2 3,-0.4 -0.688 29.1 174.6 -89.7 103.8 -14.6 -7.4 -30.1 51 53 A E H > S+ 0 0 5 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.804 84.1 66.3 -70.9 -25.2 -13.8 -9.5 -27.1 52 54 A Q H > S+ 0 0 3 37,-0.5 4,-2.6 1,-0.2 5,-0.3 0.869 93.1 57.6 -64.9 -35.3 -10.6 -10.4 -28.9 53 55 A E H >>S+ 0 0 7 -3,-0.4 4,-3.2 36,-0.3 5,-0.6 0.922 106.8 48.8 -61.5 -42.1 -9.3 -6.8 -28.6 54 56 A L H X5S+ 0 0 0 -4,-0.9 4,-1.7 3,-0.2 10,-0.2 0.930 111.5 50.0 -62.1 -44.3 -9.7 -7.1 -24.8 55 57 A I H <5S+ 0 0 0 -4,-2.0 9,-0.2 1,-0.2 -2,-0.2 0.917 121.5 32.2 -61.1 -45.7 -7.9 -10.4 -24.8 56 58 A D H <5S+ 0 0 13 -4,-2.6 42,-0.4 -5,-0.1 -2,-0.2 0.863 131.8 28.8 -80.8 -38.9 -4.9 -9.2 -26.8 57 59 A b H <5S+ 0 0 17 -4,-3.2 2,-1.7 -5,-0.3 3,-0.2 0.760 100.3 74.4 -98.2 -30.3 -4.7 -5.5 -25.8 58 60 A D << + 0 0 8 -4,-1.7 6,-0.4 -5,-0.6 -1,-0.2 -0.596 58.9 131.5 -88.3 80.8 -6.0 -5.3 -22.2 59 61 A T + 0 0 80 -2,-1.7 -1,-0.2 4,-0.1 -4,-0.0 0.357 32.5 95.6-113.7 0.3 -2.9 -6.8 -20.6 60 62 A A S S- 0 0 85 -3,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.932 117.4 -14.1 -59.8 -47.4 -2.0 -4.5 -17.8 61 63 A D S S+ 0 0 113 8,-0.1 2,-0.1 11,-0.1 -2,-0.1 0.591 121.8 82.5-127.1 -31.5 -3.8 -6.5 -15.1 62 64 A N - 0 0 3 -4,-0.1 6,-0.2 10,-0.1 2,-0.1 -0.478 66.2-147.7 -76.9 153.3 -6.0 -8.9 -17.1 63 65 A D > - 0 0 60 4,-2.5 3,-2.4 1,-0.3 4,-0.3 -0.400 21.6-128.2-124.4 57.5 -4.4 -12.0 -18.3 64 66 A G G > S+ 0 0 0 -6,-0.4 3,-1.6 1,-0.3 -1,-0.3 -0.025 86.6 0.5 42.0-127.6 -6.0 -13.1 -21.6 65 67 A a G 3 S+ 0 0 30 1,-0.3 -41,-1.7 -10,-0.1 -1,-0.3 0.543 128.3 66.3 -67.7 -10.3 -7.2 -16.7 -21.8 66 68 A Q G < S- 0 0 137 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.461 116.4 -80.8 -91.7 -2.8 -6.0 -17.2 -18.2 67 69 A G < - 0 0 0 -3,-1.6 -4,-2.5 -4,-0.3 -1,-0.3 -0.576 48.1-177.6 128.6 169.3 -8.5 -14.9 -16.7 68 70 A G B -K 902 0D 0 834,-2.7 834,-4.1 -6,-0.2 2,-0.4 -0.979 26.7 -96.3 179.9-173.6 -9.4 -11.3 -16.0 69 71 A L > - 0 0 45 -2,-0.3 4,-1.6 832,-0.2 3,-0.1 -0.991 16.3-139.7-132.5 137.7 -11.8 -8.7 -14.5 70 72 A M H > S+ 0 0 8 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.872 104.3 55.0 -63.3 -38.2 -14.6 -6.8 -16.2 71 73 A D H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.882 106.8 51.1 -66.5 -32.7 -13.8 -3.6 -14.2 72 74 A N H > S+ 0 0 41 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.880 110.6 50.8 -67.0 -36.1 -10.2 -3.7 -15.4 73 75 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.886 105.8 53.4 -68.3 -41.1 -11.6 -4.1 -19.0 74 76 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.908 107.9 52.1 -60.2 -40.5 -13.9 -1.1 -18.7 75 77 A E H X S+ 0 0 74 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.912 108.5 51.0 -61.8 -42.4 -10.9 1.0 -17.6 76 78 A Y H X S+ 0 0 22 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.934 110.5 47.9 -60.4 -47.3 -9.0 -0.2 -20.7 77 79 A I H <>S+ 0 0 1 -4,-2.5 5,-2.2 1,-0.2 36,-0.3 0.899 112.0 50.9 -61.3 -41.2 -11.9 0.7 -23.0 78 80 A K H ><5S+ 0 0 97 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.928 118.4 36.3 -62.3 -46.1 -12.2 4.1 -21.3 79 81 A N H 3<5S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.513 113.6 55.3 -89.4 -5.9 -8.5 4.9 -21.7 80 82 A N T 3<5S- 0 0 92 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.1 -0.030 118.0 -87.6-120.9 36.5 -7.7 3.4 -25.1 81 83 A G T < 5S- 0 0 43 -3,-0.5 -3,-0.2 32,-0.1 -4,-0.1 0.806 74.8 -74.7 71.3 31.8 -10.2 4.9 -27.5 82 84 A G < - 0 0 1 -5,-2.2 2,-0.4 -6,-0.2 30,-0.3 -0.322 66.9 -54.3 84.6-166.5 -13.1 2.6 -27.1 83 85 A L E -L 111 0E 0 28,-2.2 28,-2.3 -2,-0.1 2,-0.1 -0.963 47.0-131.6-119.7 135.7 -13.7 -1.0 -28.3 84 86 A I E -L 110 0E 5 -2,-0.4 -34,-2.6 26,-0.2 26,-0.2 -0.345 34.8 -91.0 -79.9 163.3 -13.5 -2.0 -32.0 85 87 A T B > -J 49 0C 17 24,-1.3 4,-1.5 -36,-0.3 -36,-0.3 -0.349 26.8-118.7 -74.8 157.5 -16.2 -4.1 -33.7 86 88 A E T 4 S+ 0 0 47 -38,-2.5 3,-0.5 1,-0.2 -37,-0.1 0.928 114.1 56.1 -58.2 -47.7 -16.2 -7.9 -33.9 87 89 A A T 4 S+ 0 0 87 -39,-0.4 -1,-0.2 1,-0.2 -38,-0.1 0.866 108.2 47.8 -54.9 -39.3 -16.0 -7.8 -37.7 88 90 A A T 4 S+ 0 0 16 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.798 130.8 18.5 -73.2 -29.4 -12.8 -5.7 -37.5 89 91 A Y S < S- 0 0 23 -4,-1.5 -37,-0.5 -3,-0.5 -36,-0.3 -0.543 87.1-160.3-145.3 72.3 -11.2 -7.9 -34.9 90 92 A P - 0 0 50 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.079 28.3 -92.3 -57.3 149.3 -12.9 -11.4 -34.8 91 93 A Y + 0 0 45 1,-0.1 -41,-0.0 2,-0.1 -5,-0.0 -0.396 38.1 174.4 -67.0 131.6 -12.7 -13.8 -31.9 92 94 A R - 0 0 173 2,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.450 39.4-129.6-114.2 -8.2 -9.9 -16.4 -32.1 93 95 A A S S+ 0 0 38 1,-0.1 2,-0.3 -72,-0.1 -71,-0.1 0.793 83.9 76.0 61.7 27.9 -10.3 -18.1 -28.7 94 96 A A S S- 0 0 51 -71,-0.1 2,-0.3 -72,-0.0 -2,-0.2 -0.955 88.1-102.5-162.9 147.4 -6.6 -17.6 -28.1 95 97 A R + 0 0 136 -2,-0.3 2,-0.2 -3,-0.1 -39,-0.1 -0.600 45.4 164.1 -82.2 135.0 -4.4 -14.6 -27.2 96 98 A G - 0 0 35 -2,-0.3 3,-0.0 -44,-0.2 -4,-0.0 -0.762 45.7 -54.6-135.4-179.1 -2.3 -13.0 -29.9 97 99 A T - 0 0 110 -2,-0.2 2,-0.8 1,-0.1 -40,-0.1 -0.322 61.4-104.9 -61.0 139.0 -0.4 -9.8 -30.6 98 100 A b + 0 0 60 -42,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.549 54.1 158.4 -68.3 107.5 -2.5 -6.6 -30.1 99 101 A N > + 0 0 47 -2,-0.8 4,-1.6 1,-0.1 -1,-0.1 -0.087 27.3 119.4-123.8 35.1 -3.2 -5.5 -33.7 100 102 A V H > + 0 0 23 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.827 70.0 65.2 -69.2 -28.6 -6.2 -3.3 -33.4 101 103 A A H 4 S+ 0 0 81 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.957 110.2 33.1 -58.6 -55.2 -4.3 -0.3 -34.8 102 104 A R H >> S+ 0 0 173 1,-0.2 3,-0.9 2,-0.2 4,-0.7 0.835 115.6 60.3 -72.0 -28.7 -3.8 -1.8 -38.3 103 105 A A H 3X S+ 0 0 22 -4,-1.6 4,-1.2 1,-0.3 3,-0.4 0.865 102.7 51.8 -63.4 -35.9 -7.1 -3.5 -38.0 104 106 A A H 3< S+ 0 0 32 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.582 90.6 80.9 -75.8 -12.1 -8.8 -0.1 -37.6 105 107 A Q H <4 S+ 0 0 151 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.961 112.7 17.2 -58.1 -51.9 -7.0 1.0 -40.8 106 108 A N H < S+ 0 0 147 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.594 137.3 41.8 -97.4 -14.1 -9.6 -0.6 -42.9 107 109 A S < + 0 0 47 -4,-1.2 -1,-0.2 -5,-0.2 -22,-0.2 -0.781 62.7 165.2-136.6 90.9 -12.3 -1.0 -40.2 108 110 A P + 0 0 94 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.505 29.8 123.6 -83.5 -10.4 -12.5 2.2 -38.0 109 111 A V + 0 0 75 -25,-0.0 -24,-1.3 2,-0.0 2,-0.3 -0.363 33.0 160.6 -63.0 124.5 -15.8 1.7 -36.1 110 112 A V E -L 84 0E 41 -26,-0.2 2,-0.5 -2,-0.2 -26,-0.2 -0.953 34.3-132.2-141.6 159.6 -15.5 1.8 -32.3 111 113 A V E -L 83 0E 2 -28,-2.3 -28,-2.2 -2,-0.3 2,-0.2 -0.968 22.2-155.6-117.3 126.5 -17.6 2.3 -29.2 112 114 A H - 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