==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-APR-12 4ARL . COMPND 2 MOLECULE: PESTICIN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR K.ZETH,S.I.PATZER,R.ALBRECHT,V.BRAUN . 689 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 443 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 14.1 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 36 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 2 3 1 2 3 3 1 1 0 2 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 PARALLEL BRIDGES PER LADDER . 4 4 1 5 4 0 0 2 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 2 0 0 0 0 0 0 2 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 13 A V 0 0 151 0, 0.0 83,-0.1 0, 0.0 119,-0.1 0.000 360.0 360.0 360.0 85.1 -23.9 14.0 -43.0 2 14 A P > - 0 0 28 0, 0.0 3,-0.8 0, 0.0 2,-0.2 0.758 360.0-148.0 -78.7 152.1 -21.0 14.0 -42.9 3 15 A A T 3 S- 0 0 33 116,-0.3 116,-0.1 1,-0.2 4,-0.1 -0.568 78.3 -0.0 -80.5 141.3 -20.1 17.4 -44.4 4 16 A F T > S+ 0 0 104 -2,-0.2 3,-2.5 1,-0.1 -1,-0.2 0.824 77.0 168.8 54.1 37.0 -16.9 17.7 -46.4 5 17 A L T < S+ 0 0 26 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.795 75.8 40.3 -50.8 -36.1 -16.1 14.1 -45.6 6 18 A F T 3 S+ 0 0 91 87,-0.1 -1,-0.3 37,-0.0 -2,-0.1 0.232 93.0 113.2 -97.3 6.2 -13.2 14.1 -48.1 7 19 A S < + 0 0 32 -3,-2.5 106,-0.1 -4,-0.1 105,-0.0 -0.359 67.1 4.1 -74.0 160.2 -11.8 17.6 -47.2 8 20 A G S S- 0 0 26 104,-0.2 2,-0.3 -2,-0.1 105,-0.1 -0.163 89.1 -66.6 72.1-157.2 -8.4 18.3 -45.6 9 21 A S - 0 0 32 98,-0.1 2,-0.4 34,-0.0 -2,-0.0 -0.862 31.7-135.1-135.3 167.7 -5.7 15.8 -44.7 10 22 A T - 0 0 37 -2,-0.3 2,-0.5 2,-0.0 86,-0.2 -0.984 5.8-147.9-129.7 133.9 -5.1 12.8 -42.4 11 23 A L E +a 96 0A 44 84,-2.3 86,-3.1 -2,-0.4 2,-0.3 -0.873 30.0 174.5 -96.4 132.3 -2.1 11.9 -40.2 12 24 A S E -a 97 0A 54 -2,-0.5 86,-0.2 84,-0.2 87,-0.0 -0.999 39.8-158.2-145.7 141.8 -1.7 8.2 -39.9 13 25 A S S S+ 0 0 59 84,-1.7 2,-0.3 -2,-0.3 85,-0.1 0.473 89.1 43.0 -91.5 -3.9 0.8 5.7 -38.4 14 26 A Y - 0 0 104 83,-0.2 83,-0.1 15,-0.0 -1,-0.1 -0.986 63.8-164.2-140.6 150.1 -0.5 3.0 -40.7 15 27 A R - 0 0 192 -2,-0.3 -3,-0.0 1,-0.1 -2,-0.0 -0.981 22.7-128.6-134.7 147.5 -1.4 2.7 -44.4 16 28 A P 0 0 51 0, 0.0 -1,-0.1 0, 0.0 12,-0.1 0.924 360.0 360.0 -62.4 -48.8 -3.5 0.0 -46.2 17 29 A N 0 0 111 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.190 360.0 360.0 156.5 360.0 -1.3 -1.0 -49.2 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 35 A I 0 0 199 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 74.8 -2.6 1.4 -60.2 20 36 A T - 0 0 146 1,-0.1 2,-0.4 2,-0.1 0, 0.0 -0.094 360.0-162.4 -53.9 126.7 -4.6 4.2 -58.5 21 37 A I + 0 0 105 1,-0.1 21,-0.2 2,-0.1 20,-0.1 -0.944 29.3 179.0-121.6 128.1 -8.0 3.0 -57.1 22 38 A A + 0 0 60 -2,-0.4 19,-0.2 19,-0.1 -1,-0.1 0.242 57.4 112.6 -97.2 2.8 -11.1 5.0 -56.0 23 39 A L S S- 0 0 120 1,-0.1 2,-0.1 17,-0.1 18,-0.1 -0.462 82.4 -91.9 -75.0 152.2 -12.8 1.7 -55.1 24 40 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 16,-0.2 -0.447 41.8-161.0 -67.7 135.0 -13.6 1.0 -51.4 25 41 A H E -B 39 0A 86 14,-2.2 14,-2.5 -2,-0.1 2,-0.5 -0.942 4.0-149.4-117.1 138.9 -10.8 -0.9 -49.7 26 42 A Y E +B 38 0A 78 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.933 25.8 159.6-117.2 117.8 -11.4 -2.8 -46.4 27 43 A V E -B 37 0A 30 10,-2.5 10,-2.6 -2,-0.5 2,-0.4 -0.826 32.5-129.0-129.4 166.1 -8.6 -3.2 -43.9 28 44 A D E -B 36 0A 101 -2,-0.3 8,-0.2 8,-0.2 3,-0.1 -0.976 29.1-116.8-115.8 128.6 -8.0 -4.0 -40.2 29 45 A L > - 0 0 8 6,-1.8 3,-1.5 -2,-0.4 6,-0.2 -0.442 45.4-105.6 -60.2 128.9 -5.9 -1.9 -37.9 30 46 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.378 97.6 7.8 -61.2 130.4 -3.0 -4.1 -36.8 31 47 A G T 3 S+ 0 0 90 1,-0.2 2,-0.5 -2,-0.1 -2,-0.1 0.402 105.4 107.0 83.8 -1.9 -3.2 -5.4 -33.2 32 48 A R X - 0 0 45 -3,-1.5 3,-0.6 3,-0.2 2,-0.2 -0.930 58.8-144.9-115.5 131.1 -6.7 -4.0 -32.6 33 49 A S T 3 S+ 0 0 104 -2,-0.5 3,-0.1 1,-0.2 -4,-0.0 -0.592 87.0 14.1 -79.7 152.9 -9.9 -6.0 -32.3 34 50 A N T 3 S+ 0 0 62 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.815 92.6 122.6 50.2 32.5 -13.1 -4.4 -33.7 35 51 A F < + 0 0 1 -3,-0.6 -6,-1.8 -6,-0.2 2,-0.4 -0.878 31.8 159.2-121.8 106.8 -11.0 -1.8 -35.6 36 52 A K E -B 28 0A 36 -2,-0.5 11,-0.5 -8,-0.2 2,-0.4 -0.974 20.0-160.4-134.6 128.6 -12.0 -2.0 -39.2 37 53 A L E -B 27 0A 4 -10,-2.6 -10,-2.5 -2,-0.4 2,-0.5 -0.909 11.2-154.6-119.4 143.4 -11.5 0.7 -41.7 38 54 A M E -BC 26 45A 30 7,-2.7 7,-1.6 -2,-0.4 2,-0.6 -0.969 15.5-155.2-112.8 114.5 -13.0 1.5 -45.1 39 55 A Y E +BC 25 44A 20 -14,-2.5 -14,-2.2 -2,-0.5 2,-0.4 -0.812 18.0 170.9 -91.3 122.1 -10.7 3.6 -47.4 40 56 A I E > S- C 0 43A 47 3,-1.9 3,-2.8 -2,-0.6 -17,-0.1 -0.996 75.0 -0.4-126.4 136.3 -12.5 5.6 -50.1 41 57 A M T 3 S- 0 0 102 -2,-0.4 -19,-0.1 1,-0.3 -1,-0.1 0.756 130.8 -64.5 58.4 23.6 -10.6 8.2 -52.2 42 58 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 -21,-0.2 -3,-0.1 0.476 110.5 124.5 77.6 1.4 -7.6 7.1 -50.0 43 59 A F E < -C 40 0A 42 -3,-2.8 -3,-1.9 -34,-0.0 2,-0.4 -0.804 63.5-120.6 -95.9 132.7 -9.3 8.5 -46.9 44 60 A P E -C 39 0A 5 0, 0.0 50,-2.6 0, 0.0 2,-0.4 -0.576 28.9-169.9 -69.8 130.2 -9.9 6.3 -43.8 45 61 A I E -CD 38 93A 5 -7,-1.6 -7,-2.7 -2,-0.4 2,-0.6 -0.978 9.4-157.3-125.1 129.2 -13.5 5.9 -42.7 46 62 A D E - D 0 92A 0 46,-3.1 46,-2.5 -2,-0.4 2,-0.3 -0.930 17.3-178.1-106.6 114.1 -14.6 4.3 -39.5 47 63 A T E - D 0 91A 14 -2,-0.6 10,-1.8 -11,-0.5 2,-0.4 -0.894 8.9-165.9-113.4 149.1 -18.1 3.0 -39.5 48 64 A E E +eD 57 90A 1 42,-2.1 42,-2.5 -2,-0.3 2,-0.3 -0.985 7.8 176.7-130.8 140.9 -20.1 1.3 -36.7 49 65 A M E - D 0 89A 31 8,-2.7 10,-0.3 -2,-0.4 40,-0.2 -0.982 29.2-150.1-145.2 137.0 -23.4 -0.7 -36.9 50 66 A E S S+ 0 0 149 38,-1.9 2,-0.2 -2,-0.3 39,-0.1 0.805 84.7 79.2 -73.1 -28.6 -25.4 -2.5 -34.3 51 67 A K S S- 0 0 142 37,-0.4 2,-0.1 1,-0.1 -2,-0.1 -0.519 102.0 -90.7 -77.0 148.6 -26.6 -4.9 -37.0 52 68 A D + 0 0 136 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.365 56.7 159.3 -66.4 130.6 -24.2 -7.6 -38.0 53 69 A S - 0 0 31 3,-0.3 3,-0.2 -4,-0.2 -4,-0.1 -0.984 40.2-152.0-148.6 142.9 -21.8 -6.8 -40.8 54 70 A E S S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.535 103.1 52.8 -88.2 -10.8 -18.4 -8.2 -41.9 55 71 A Y S S+ 0 0 120 2,-0.1 2,-0.3 -19,-0.0 -1,-0.2 0.441 107.6 53.0 -99.2 -1.8 -17.6 -4.7 -43.4 56 72 A S S S- 0 0 22 -3,-0.2 -3,-0.3 -10,-0.1 -8,-0.2 -0.936 77.2-113.2-134.2 157.0 -18.3 -2.6 -40.2 57 73 A N B -e 48 0A 3 -10,-1.8 -8,-2.7 -2,-0.3 2,-0.2 -0.421 36.0-107.9 -76.8 156.6 -17.4 -2.4 -36.6 58 74 A K - 0 0 84 -10,-0.2 -8,-0.2 1,-0.1 -1,-0.1 -0.497 55.9 -73.6 -76.8 157.5 -19.8 -3.0 -33.7 59 75 A I - 0 0 58 -10,-0.3 2,-0.2 -2,-0.2 -1,-0.1 -0.313 55.4-128.7 -56.8 128.4 -20.9 0.0 -31.7 60 76 A R - 0 0 10 1,-0.1 2,-0.2 -3,-0.1 70,-0.1 -0.524 19.2-109.0 -82.5 146.2 -18.1 1.2 -29.5 61 77 A Q - 0 0 148 68,-0.3 70,-1.7 -2,-0.2 2,-0.2 -0.477 33.1-113.9 -71.0 140.7 -18.5 1.8 -25.7 62 78 A E B -f 131 0A 133 68,-0.2 70,-0.2 -2,-0.2 -1,-0.1 -0.521 31.8-119.1 -72.6 137.5 -18.4 5.4 -24.5 63 79 A S - 0 0 20 68,-3.3 70,-0.2 -2,-0.2 -1,-0.1 -0.322 5.8-136.8 -71.1 158.2 -15.4 6.3 -22.3 64 80 A K + 0 0 181 274,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.555 68.9 115.9 -90.9 -7.9 -15.9 7.5 -18.7 65 81 A I S S- 0 0 37 1,-0.1 2,-0.3 273,-0.1 -2,-0.1 -0.356 74.1-112.1 -64.8 133.8 -13.3 10.3 -19.2 66 82 A S > - 0 0 43 1,-0.2 4,-1.8 271,-0.1 -1,-0.1 -0.491 14.3-153.0 -73.1 127.8 -14.7 13.8 -18.9 67 83 A K T 4 S+ 0 0 72 -2,-0.3 -1,-0.2 1,-0.2 76,-0.1 0.798 97.2 40.2 -66.9 -31.7 -14.7 15.8 -22.1 68 84 A T T 4 S+ 0 0 71 1,-0.1 -1,-0.2 74,-0.0 -2,-0.0 0.898 134.0 14.6 -81.5 -49.7 -14.5 19.0 -20.0 69 85 A E T 4 S+ 0 0 117 2,-0.0 -2,-0.2 77,-0.0 -1,-0.1 0.473 104.8 96.5-102.7 -4.3 -12.1 18.2 -17.2 70 86 A G < - 0 0 6 -4,-1.8 2,-0.3 203,-0.1 76,-0.1 -0.122 47.1-159.5 -90.8 178.1 -10.4 14.9 -18.3 71 87 A T - 0 0 18 75,-0.1 2,-0.3 76,-0.1 73,-0.1 -0.957 14.6-131.8-145.2 164.8 -7.2 13.9 -20.0 72 88 A V - 0 0 5 -2,-0.3 6,-0.1 71,-0.3 198,-0.0 -0.885 50.3 -82.0-111.1 150.1 -5.7 11.0 -21.9 73 89 A S > - 0 0 13 -2,-0.3 3,-1.3 1,-0.2 28,-0.1 -0.249 31.9-136.0 -52.3 133.1 -2.2 9.6 -21.0 74 90 A Y T 3 S+ 0 0 48 1,-0.3 27,-0.3 195,-0.2 28,-0.2 0.625 104.5 54.6 -69.0 -14.1 0.5 11.7 -22.6 75 91 A E T 3 S+ 0 0 87 194,-0.1 -1,-0.3 25,-0.1 2,-0.2 0.560 92.9 91.0 -93.2 -10.7 2.3 8.5 -23.5 76 92 A Q S < S- 0 0 68 -3,-1.3 25,-0.4 193,-0.1 2,-0.3 -0.558 71.8-126.4 -86.0 148.3 -0.6 6.9 -25.4 77 93 A K - 0 0 91 -2,-0.2 50,-0.4 23,-0.1 2,-0.3 -0.653 30.0-164.7 -80.7 149.5 -1.5 7.1 -29.1 78 94 A I E -G 99 0A 0 21,-2.4 21,-2.1 -2,-0.3 2,-0.5 -0.890 18.0-133.8-128.2 163.6 -5.0 8.3 -30.0 79 95 A T E - H 0 125A 0 46,-2.0 46,-2.8 -2,-0.3 2,-0.4 -0.982 19.4-157.2-115.0 127.4 -7.3 8.3 -33.0 80 96 A V E +GH 96 124A 0 16,-2.2 15,-2.3 -2,-0.5 16,-1.9 -0.876 16.2 179.3-105.5 134.7 -9.1 11.5 -33.8 81 97 A E E -GH 94 123A 0 42,-2.7 42,-2.6 -2,-0.4 2,-0.4 -0.946 18.9-162.3-136.4 155.0 -12.3 11.4 -35.8 82 98 A T E +GH 93 122A 1 11,-2.5 11,-2.8 -2,-0.3 2,-0.3 -1.000 42.1 87.2-138.8 134.1 -15.0 13.7 -37.2 83 99 A G E -GH 92 121A 0 38,-2.7 38,-2.6 -2,-0.4 2,-0.3 -0.863 59.4 -71.6 175.4-155.8 -18.4 12.6 -38.4 84 100 A Q E -G 91 0A 52 7,-2.6 7,-2.7 -2,-0.3 2,-0.3 -0.952 25.3-165.8-141.1 156.0 -22.1 11.8 -37.7 85 101 A E E +G 90 0A 59 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.968 11.0 165.2-148.7 139.5 -24.1 9.1 -36.0 86 102 A K E > -G 89 0A 159 3,-2.7 3,-1.5 -2,-0.3 -2,-0.0 -0.986 61.2 -16.7-149.0 138.2 -27.8 8.1 -36.0 87 103 A D T 3 S- 0 0 117 -2,-0.3 -37,-0.1 1,-0.3 3,-0.1 0.795 126.5 -36.5 40.0 65.7 -29.8 5.1 -34.9 88 104 A G T 3 S+ 0 0 19 1,-0.1 -38,-1.9 -39,-0.1 -37,-0.4 0.716 120.9 98.5 63.1 21.0 -27.1 2.3 -34.6 89 105 A V E < +DG 49 86A 56 -3,-1.5 -3,-2.7 -40,-0.2 2,-0.4 -0.970 47.9 179.9-137.2 124.7 -25.1 3.6 -37.6 90 106 A K E -DG 48 85A 28 -42,-2.5 -42,-2.1 -2,-0.4 2,-0.4 -0.978 7.9-173.8-128.9 138.3 -22.0 5.8 -37.2 91 107 A V E +DG 47 84A 42 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.4 -0.967 11.9 169.9-135.1 119.3 -19.8 7.2 -39.9 92 108 A Y E -DG 46 83A 0 -46,-2.5 -46,-3.1 -2,-0.4 2,-0.3 -0.992 28.7-136.8-135.5 129.2 -16.6 9.1 -39.0 93 109 A R E -DG 45 82A 0 -11,-2.8 -11,-2.5 -2,-0.4 2,-0.7 -0.665 29.9-123.8 -78.1 138.8 -13.8 10.3 -41.1 94 110 A V E + G 0 81A 0 -50,-2.6 -13,-0.2 -2,-0.3 3,-0.2 -0.807 33.4 172.2 -91.0 115.3 -10.4 9.6 -39.5 95 111 A M E S+ 0 0 0 -15,-2.3 -84,-2.3 -2,-0.7 2,-0.4 0.801 75.8 20.0 -84.0 -41.8 -8.4 12.8 -39.0 96 112 A V E S-aG 11 80A 0 -16,-1.9 -16,-2.2 -86,-0.2 2,-0.7 -0.983 70.2-160.5-133.2 120.6 -5.6 11.3 -36.9 97 113 A L E S-a 12 0A 2 -86,-3.1 -84,-1.7 -2,-0.4 -18,-0.2 -0.876 74.0 -30.9-106.5 109.0 -4.9 7.5 -36.9 98 114 A E E S+ 0 0 21 -2,-0.7 -19,-0.2 -86,-0.2 -1,-0.2 0.927 95.7 152.4 51.8 52.0 -2.9 6.4 -33.9 99 115 A G E - G 0 78A 0 -21,-2.1 -21,-2.4 -3,-0.1 -1,-0.1 -0.554 47.7 -94.0-103.7 172.3 -0.9 9.6 -33.5 100 116 A T > - 0 0 44 -23,-0.2 4,-2.0 -2,-0.2 5,-0.1 -0.400 35.8-111.2 -75.8 160.2 0.7 11.3 -30.5 101 117 A I H > S+ 0 0 6 -25,-0.4 4,-2.5 -27,-0.3 5,-0.2 0.922 119.5 47.8 -54.4 -46.0 -1.1 14.0 -28.6 102 118 A A H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.926 110.1 49.6 -67.0 -44.9 1.3 16.6 -29.9 103 119 A E H > S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.882 112.3 51.4 -57.5 -38.7 1.1 15.5 -33.6 104 120 A S H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.942 107.9 49.3 -65.7 -47.4 -2.7 15.6 -33.1 105 121 A I H X S+ 0 0 24 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.951 115.1 45.8 -55.3 -49.5 -2.7 19.2 -31.7 106 122 A E H >X S+ 0 0 139 -4,-2.6 3,-0.9 1,-0.2 4,-0.6 0.952 114.5 46.6 -57.5 -53.0 -0.5 20.3 -34.6 107 123 A H H >< S+ 0 0 4 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.858 110.4 51.9 -62.1 -39.3 -2.6 18.5 -37.3 108 124 A L H 3< S+ 0 0 1 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.648 100.9 63.4 -76.2 -15.5 -5.9 19.7 -35.9 109 125 A D H << S+ 0 0 75 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.677 77.5 115.7 -76.9 -15.5 -4.7 23.3 -36.0 110 126 A K X< - 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