==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 31-MAY-00 1F32 . COMPND 2 MOLECULE: MAJOR PEPSIN INHIBITOR PI-3; . SOURCE 2 ORGANISM_SCIENTIFIC: ASCARIS SUUM; . AUTHOR K.K.NG,J.F.PETERSEN,M.M.CHERNEY,C.GAREN,M.N.JAMES . 127 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8118.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 24.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 3.9 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 . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 2 A F 0 0 183 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.6 16.5 -19.8 4.8 2 3 A L + 0 0 34 1,-0.2 74,-0.5 74,-0.1 2,-0.3 0.332 360.0 37.6-114.1 5.0 16.1 -18.9 8.5 3 4 A F + 0 0 24 72,-0.2 2,-0.3 119,-0.0 -1,-0.2 -0.992 52.6 167.2-157.5 144.0 19.3 -16.9 8.8 4 5 A S E -A 74 0A 59 70,-1.2 70,-3.1 -2,-0.3 2,-0.3 -0.968 11.2-169.4-153.4 148.7 21.4 -14.5 6.8 5 6 A M E +A 73 0A 105 -2,-0.3 2,-0.3 68,-0.2 68,-0.2 -0.991 6.8 172.7-142.6 151.3 24.3 -12.2 7.8 6 7 A S E -A 72 0A 46 66,-2.1 66,-2.7 -2,-0.3 2,-0.4 -0.974 22.5-132.9-153.6 164.7 26.3 -9.4 6.3 7 8 A T E -A 71 0A 89 -2,-0.3 64,-0.2 64,-0.2 63,-0.1 -0.921 43.1 -73.6-120.9 148.2 28.9 -6.8 6.9 8 9 A G S S+ 0 0 16 62,-2.2 2,-0.1 -2,-0.4 60,-0.1 -0.043 79.9 92.5 -67.6 178.3 28.7 -3.1 6.0 9 10 A P + 0 0 90 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.424 62.5 179.6 -70.0 150.7 28.8 -0.7 4.3 10 11 A F - 0 0 40 55,-0.2 2,-0.3 -2,-0.1 -2,-0.0 -0.667 40.5 -79.4-113.3 168.7 25.0 -0.8 3.8 11 12 A I - 0 0 106 -2,-0.2 11,-2.1 -3,-0.0 12,-0.5 -0.561 52.6-169.6 -70.7 132.4 22.7 1.5 1.9 12 13 A a E +E 21 0B 10 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.978 17.0 144.8-126.8 136.2 22.2 4.6 3.9 13 14 A T E -E 20 0B 49 7,-1.9 7,-3.0 -2,-0.4 2,-0.4 -0.927 34.7-122.1-154.5 177.9 19.7 7.5 3.3 14 15 A V E +E 19 0B 15 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.997 19.6 177.0-134.6 137.8 17.4 9.9 5.1 15 16 A K E > S-E 18 0B 148 3,-2.2 3,-2.0 -2,-0.4 -2,-0.0 -0.966 78.0 -14.2-140.3 121.7 13.6 10.5 4.9 16 17 A D T 3 S- 0 0 141 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.911 129.8 -52.4 52.0 47.0 11.9 13.1 7.2 17 18 A N T 3 S+ 0 0 39 1,-0.2 12,-3.0 17,-0.1 2,-0.6 0.318 111.5 126.9 75.4 -9.7 15.0 13.3 9.4 18 19 A Q E < -EF 15 28B 47 -3,-2.0 -3,-2.2 10,-0.2 2,-0.5 -0.729 52.8-146.5 -85.8 119.0 15.0 9.5 9.8 19 20 A V E -EF 14 27B 0 8,-3.1 7,-1.2 -2,-0.6 8,-0.8 -0.711 15.0-161.8 -83.0 128.3 18.3 7.9 8.9 20 21 A F E -EF 13 25B 63 -7,-3.0 -7,-1.9 -2,-0.5 2,-0.4 -0.949 10.9-178.1-114.1 129.8 17.8 4.4 7.3 21 22 A V E > S-EF 12 24B 3 3,-2.6 3,-2.5 -2,-0.5 -9,-0.2 -0.998 80.4 -9.2-126.4 125.5 20.6 1.9 7.2 22 23 A A T 3 S- 0 0 22 -11,-2.1 -1,-0.1 -2,-0.4 -10,-0.1 0.866 130.2 -60.9 54.7 34.9 19.8 -1.5 5.4 23 24 A N T 3 S+ 0 0 138 -12,-0.5 -1,-0.3 1,-0.2 -11,-0.1 0.569 113.8 120.8 69.2 10.8 16.2 -0.2 5.4 24 25 A L E < S-F 21 0B 6 -3,-2.5 -3,-2.6 66,-0.0 2,-1.7 -0.853 75.4-110.9-107.5 141.9 16.2 -0.1 9.2 25 26 A P E +F 20 0B 24 0, 0.0 -5,-0.2 0, 0.0 66,-0.2 -0.509 45.5 170.2 -73.0 87.9 15.5 3.2 11.2 26 27 A W E - 0 0 28 -2,-1.7 2,-0.3 -7,-1.2 -6,-0.2 0.939 55.9 -28.0 -65.7 -56.7 19.0 3.7 12.6 27 28 A T E -F 19 0B 57 -8,-0.8 -8,-3.1 37,-0.1 2,-0.4 -0.969 56.9-119.9-158.0 165.0 18.8 7.1 14.2 28 29 A M E -F 18 0B 101 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.2 -0.953 25.5-126.5-119.6 136.9 17.0 10.4 13.7 29 30 A L - 0 0 8 -12,-3.0 2,-0.3 -2,-0.4 5,-0.0 -0.510 28.5-179.9 -81.0 145.2 18.6 13.8 12.9 30 31 A E > - 0 0 144 -2,-0.2 3,-2.0 4,-0.0 4,-0.2 -0.926 44.2 -12.4-139.5 163.8 18.0 16.9 15.0 31 32 A G G > S+ 0 0 55 -2,-0.3 3,-1.6 1,-0.3 4,-0.4 -0.153 127.9 4.2 51.3-132.4 19.1 20.5 15.0 32 33 A D G 3 S+ 0 0 159 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.497 127.2 63.5 -65.0 -6.5 22.0 21.5 12.8 33 34 A D G <> S+ 0 0 89 -3,-2.0 4,-2.5 2,-0.1 -1,-0.3 0.643 81.4 79.8 -90.3 -19.4 22.2 17.9 11.3 34 35 A I H <> S+ 0 0 49 -3,-1.6 4,-1.8 -4,-0.2 -2,-0.2 0.950 95.4 44.6 -55.3 -50.7 18.7 18.1 9.8 35 36 A Q H > S+ 0 0 112 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.850 110.2 55.9 -64.3 -32.0 19.9 20.1 6.7 36 37 A V H > S+ 0 0 51 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.910 106.0 52.3 -63.8 -39.2 22.9 17.8 6.4 37 38 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.897 108.7 50.0 -63.3 -39.4 20.5 14.9 6.2 38 39 A K H X S+ 0 0 110 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.922 111.5 46.9 -64.7 -45.1 18.6 16.7 3.4 39 40 A E H X S+ 0 0 109 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.906 114.1 48.6 -64.0 -43.9 21.8 17.3 1.4 40 41 A F H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.940 109.0 51.9 -61.8 -48.1 22.9 13.7 1.9 41 42 A A H X S+ 0 0 21 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.893 110.4 49.5 -56.5 -39.4 19.6 12.3 0.9 42 43 A A H X S+ 0 0 62 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.909 110.1 50.9 -64.6 -43.3 19.7 14.4 -2.3 43 44 A R H X S+ 0 0 70 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.891 109.6 50.4 -61.1 -42.9 23.2 13.2 -3.0 44 45 A V H X S+ 0 0 12 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.912 111.7 47.1 -63.9 -43.8 22.1 9.5 -2.5 45 46 A E H X>S+ 0 0 111 -4,-2.2 4,-2.4 -5,-0.2 5,-0.6 0.915 115.2 46.4 -65.5 -41.9 19.2 9.9 -4.9 46 47 A D H X>S+ 0 0 61 -4,-2.5 5,-2.6 3,-0.2 4,-1.7 0.953 115.3 46.0 -64.6 -49.8 21.4 11.7 -7.5 47 48 A b H <>S+ 0 0 1 -4,-3.1 6,-3.0 3,-0.2 5,-0.7 0.936 122.6 34.9 -57.8 -50.2 24.2 9.1 -7.1 48 49 A T H <5S+ 0 0 43 -4,-2.9 -2,-0.2 4,-0.2 4,-0.2 0.968 127.8 30.2 -72.5 -55.9 21.8 6.1 -7.3 49 50 A N H <5S+ 0 0 95 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.743 132.7 25.3 -80.5 -26.4 19.1 7.2 -9.7 50 51 A V T <> S- 0 0 36 1,-0.1 4,-2.3 -8,-0.1 3,-1.8 -0.344 70.1-120.6 -68.0 148.5 30.2 4.1 -4.3 56 57 A P H 3> S+ 0 0 81 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.766 111.6 69.4 -62.5 -20.5 30.9 6.0 -1.1 57 58 A T H 34 S+ 0 0 113 2,-0.2 -2,-0.0 1,-0.2 -3,-0.0 0.773 110.5 34.2 -68.1 -21.0 33.0 8.4 -3.2 58 59 A b H <4 S+ 0 0 20 -3,-1.8 -1,-0.2 -14,-0.0 -11,-0.1 0.863 125.8 38.1 -94.9 -49.8 29.7 9.5 -4.7 59 60 A T H < S- 0 0 20 -4,-2.3 -2,-0.2 -15,-0.1 -15,-0.1 0.840 82.1-160.9 -72.8 -33.0 27.3 9.2 -1.7 60 61 A K < - 0 0 131 -4,-2.6 -3,-0.1 -5,-0.3 -17,-0.1 0.958 17.0-143.3 48.7 63.7 29.7 10.4 0.9 61 62 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.352 9.9-131.3 -60.7 125.2 27.9 8.9 3.9 62 63 A P > - 0 0 16 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.230 30.4 -97.7 -70.7 166.1 28.0 11.1 7.0 63 64 A P G > S+ 0 0 130 0, 0.0 3,-1.8 0, 0.0 0, 0.0 0.744 117.3 73.9 -59.8 -18.1 28.9 9.6 10.4 64 65 A F G 3 S+ 0 0 32 1,-0.3 -37,-0.1 2,-0.0 -45,-0.1 0.515 77.2 75.6 -75.1 -2.4 25.3 9.2 11.3 65 66 A a G < S- 0 0 2 -3,-2.2 -1,-0.3 1,-0.2 -55,-0.2 0.465 107.0-127.4 -80.3 -3.2 25.0 6.3 8.9 66 67 A G < - 0 0 13 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.0 -0.063 51.3 -17.4 83.5 174.2 26.8 4.4 11.6 67 68 A P > - 0 0 76 0, 0.0 3,-1.5 0, 0.0 -59,-0.1 -0.287 59.1-141.3 -53.3 125.8 30.0 2.3 11.6 68 69 A Q T 3 S+ 0 0 68 1,-0.3 -2,-0.0 -60,-0.1 -61,-0.0 0.598 98.6 45.4 -70.0 -7.1 30.7 1.4 8.0 69 70 A D T 3 S+ 0 0 119 -62,-0.1 -1,-0.3 -61,-0.1 -3,-0.0 0.173 80.7 134.0-119.0 17.6 31.8 -2.1 9.0 70 71 A M < - 0 0 15 -3,-1.5 -62,-2.2 -63,-0.1 2,-0.3 -0.238 52.5-118.1 -67.1 160.2 29.1 -3.0 11.4 71 72 A K E -A 7 0A 118 -64,-0.2 11,-2.9 -66,-0.0 2,-0.4 -0.695 19.1-156.9-101.2 152.2 27.5 -6.5 11.2 72 73 A M E -AB 6 81A 18 -66,-2.7 -66,-2.1 -2,-0.3 2,-0.4 -0.978 4.5-169.3-128.1 141.9 23.9 -7.4 10.5 73 74 A F E -AB 5 80A 24 7,-2.7 7,-2.9 -2,-0.4 2,-0.5 -0.999 6.9-159.2-132.0 127.4 22.1 -10.7 11.4 74 75 A N E +AB 4 79A 34 -70,-3.1 -70,-1.2 -2,-0.4 5,-0.2 -0.941 16.0 171.9-114.9 119.8 18.7 -11.5 10.1 75 76 A F E > - B 0 78A 15 3,-3.1 2,-0.8 -2,-0.5 3,-0.5 -0.598 48.2 -78.3-114.5 175.6 16.5 -14.1 11.9 76 77 A V T 3 S+ 0 0 89 -74,-0.5 50,-0.1 1,-0.2 -74,-0.1 -0.688 121.8 9.5 -77.3 111.1 12.9 -15.2 11.5 77 78 A G T 3 S+ 0 0 50 -2,-0.8 11,-0.5 45,-0.0 2,-0.3 0.127 129.8 25.3 107.8 -22.3 11.0 -12.4 13.2 78 79 A c E < -B 75 0A 7 -3,-0.5 -3,-3.1 9,-0.2 2,-0.3 -0.996 57.2-138.2-166.3 168.6 13.8 -9.9 13.7 79 80 A S E -BC 74 86A 21 7,-2.5 7,-2.7 -2,-0.3 2,-0.5 -0.965 7.2-149.0-136.2 152.2 17.1 -8.4 12.8 80 81 A V E -BC 73 85A 2 -7,-2.9 -7,-2.7 -2,-0.3 2,-0.4 -0.981 15.2-178.1-119.9 129.3 20.2 -7.1 14.6 81 82 A L E > -BC 72 84A 0 3,-2.4 3,-1.9 -2,-0.5 2,-0.2 -0.993 67.1 -33.6-129.8 122.8 22.2 -4.3 13.0 82 83 A G T 3 S- 0 0 14 -11,-2.9 -9,-0.0 -2,-0.4 -16,-0.0 -0.487 125.3 -35.6 63.9-128.4 25.3 -3.2 14.7 83 84 A N T 3 S+ 0 0 104 -2,-0.2 12,-2.5 -3,-0.1 2,-0.4 -0.144 117.7 103.2-118.0 41.6 24.4 -3.6 18.3 84 85 A K E < -CD 81 94A 45 -3,-1.9 -3,-2.4 10,-0.3 2,-0.4 -0.963 60.8-138.2-126.0 141.3 20.8 -2.6 17.9 85 86 A L E -CD 80 93A 1 8,-3.0 7,-3.1 -2,-0.4 8,-0.8 -0.816 17.5-173.4-102.4 135.6 17.6 -4.8 17.7 86 87 A F E -CD 79 91A 3 -7,-2.7 -7,-2.5 -2,-0.4 2,-0.4 -0.995 6.8-175.0-130.4 132.2 14.8 -4.3 15.3 87 88 A I E > S- D 0 90A 23 3,-2.2 3,-1.1 -2,-0.4 -9,-0.2 -0.992 81.3 -3.3-125.5 129.7 11.4 -6.1 15.1 88 89 A D T 3 S- 0 0 130 -11,-0.5 -1,-0.2 -2,-0.4 3,-0.1 0.897 132.3 -59.5 55.5 40.2 9.0 -5.4 12.2 89 90 A Q T 3 S+ 0 0 122 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.748 113.8 117.8 59.3 30.3 11.5 -2.8 11.1 90 91 A K E < S-D 87 0A 145 -3,-1.1 -3,-2.2 -66,-0.1 -1,-0.2 -0.986 70.9-109.7-129.4 134.8 11.3 -0.9 14.3 91 92 A Y E +D 86 0A 108 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.382 36.9 170.1 -61.4 133.7 14.0 -0.2 16.9 92 93 A V E - 0 0 58 -7,-3.1 2,-0.3 1,-0.4 -1,-0.2 0.767 53.9 -50.2-109.4 -54.8 13.5 -2.1 20.1 93 94 A R E -D 85 0A 83 -8,-0.8 -8,-3.0 3,-0.0 -1,-0.4 -0.981 55.9 -77.7-170.8 175.1 16.7 -1.7 22.1 94 95 A D E -D 84 0A 92 -2,-0.3 -10,-0.3 -10,-0.2 2,-0.1 -0.665 62.6-100.0 -82.9 143.4 20.5 -1.9 22.2 95 96 A L - 0 0 19 -12,-2.5 2,-0.2 -2,-0.3 -1,-0.1 -0.428 36.3-148.5 -68.2 142.8 21.6 -5.5 22.6 96 97 A T > - 0 0 66 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.516 33.5 -96.6-100.1 171.9 22.6 -6.6 26.1 97 98 A A H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.888 127.5 54.1 -58.0 -39.4 25.3 -9.2 26.8 98 99 A K H > S+ 0 0 175 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 106.4 52.5 -61.9 -39.0 22.5 -11.8 27.1 99 100 A D H > S+ 0 0 6 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.915 107.8 50.1 -62.7 -44.6 21.3 -10.9 23.6 100 101 A H H X S+ 0 0 80 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.877 107.7 55.6 -62.0 -35.7 24.8 -11.3 22.2 101 102 A A H X S+ 0 0 54 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.893 106.1 50.4 -63.9 -38.8 24.9 -14.7 23.8 102 103 A E H X S+ 0 0 55 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.862 106.9 55.0 -68.2 -34.1 21.7 -15.7 22.1 103 104 A V H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.934 110.7 44.3 -63.6 -47.0 23.1 -14.6 18.7 104 105 A Q H X S+ 0 0 80 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.883 111.9 52.8 -67.2 -35.8 26.2 -16.8 19.1 105 106 A T H X S+ 0 0 66 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.924 111.6 47.6 -64.1 -41.5 24.1 -19.8 20.4 106 107 A F H X S+ 0 0 7 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.938 111.5 48.5 -65.7 -44.8 21.9 -19.4 17.3 107 108 A R H X S+ 0 0 75 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.908 112.8 49.3 -61.1 -40.3 24.9 -19.2 14.9 108 109 A E H X S+ 0 0 119 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.861 112.7 47.4 -66.7 -35.1 26.3 -22.3 16.6 109 110 A K H X S+ 0 0 106 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.865 109.3 52.6 -74.6 -35.8 23.0 -24.1 16.2 110 111 A I H X S+ 0 0 13 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.921 110.4 49.3 -63.7 -41.0 22.6 -23.0 12.6 111 112 A A H X S+ 0 0 58 -4,-2.3 4,-2.0 -5,-0.2 5,-0.3 0.955 111.8 47.8 -61.3 -47.8 26.1 -24.5 12.1 112 113 A A H X S+ 0 0 53 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.930 110.7 52.0 -56.5 -46.9 25.0 -27.7 13.9 113 114 A F H < S+ 0 0 60 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.811 108.3 52.8 -59.1 -35.2 21.8 -27.8 11.7 114 115 A E H < S+ 0 0 101 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.898 112.2 41.0 -69.1 -45.1 23.9 -27.5 8.6 115 116 A E H < 0 0 184 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.664 360.0 360.0 -77.2 -15.3 26.3 -30.4 9.3 116 117 A Q < 0 0 144 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.1 0.004 360.0 360.0 -69.1 360.0 23.3 -32.3 10.6 117 ! 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 0.0 118 138 A S 0 0 114 0, 0.0 -5,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 80.9 15.5 -29.8 13.9 119 139 A P - 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