==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUL-12 4FYJ . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.C.HUGHES,H MCFEETERS,R.L.MCFEETERS . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 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 . 16 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0 1 1 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 H 0 0 170 0, 0.0 2,-0.7 0, 0.0 179,-0.1 0.000 360.0 360.0 360.0 152.4 -10.7 40.1 -6.4 2 2 A T - 0 0 60 178,-0.4 3,-0.0 86,-0.1 2,-0.0 -0.922 360.0-133.6-105.8 111.7 -10.7 37.4 -9.1 3 3 A A - 0 0 42 -2,-0.7 2,-0.4 1,-0.1 176,-0.2 -0.323 23.4-111.3 -62.8 142.6 -13.3 34.8 -8.2 4 4 A V + 0 0 3 174,-2.0 86,-0.2 173,-0.3 3,-0.1 -0.623 37.4 172.0 -76.9 129.8 -12.2 31.2 -8.5 5 5 A Q + 0 0 70 84,-2.5 56,-3.0 -2,-0.4 2,-0.4 0.514 66.1 40.0-112.3 -12.9 -13.9 29.3 -11.4 6 6 A L E -ab 61 90A 0 83,-1.7 85,-2.9 54,-0.2 2,-0.5 -0.971 56.0-172.0-144.6 124.8 -11.9 26.1 -11.3 7 7 A I E -ab 62 91A 2 54,-2.9 56,-2.6 -2,-0.4 2,-0.4 -0.976 14.9-163.0-116.6 120.8 -10.6 24.0 -8.4 8 8 A V E -ab 63 92A 0 83,-3.3 85,-3.5 -2,-0.5 2,-0.5 -0.857 8.3-161.3-108.2 136.5 -8.2 21.1 -9.4 9 9 A G E - b 0 93A 0 54,-2.8 17,-0.2 -2,-0.4 85,-0.2 -0.938 18.0-145.4-118.9 109.8 -7.4 18.2 -7.2 10 10 A L + 0 0 0 83,-2.1 16,-2.1 -2,-0.5 15,-0.5 -0.406 37.8 117.4 -80.4 146.9 -4.2 16.3 -8.2 11 11 A G - 0 0 2 14,-0.2 12,-0.2 56,-0.2 56,-0.1 -0.954 58.2 -86.5 175.9 172.2 -3.7 12.6 -7.9 12 12 A N - 0 0 16 -2,-0.3 2,-0.1 5,-0.2 56,-0.1 -0.823 40.6-127.4 -98.4 139.1 -3.0 9.3 -9.7 13 13 A P + 0 0 38 0, 0.0 3,-0.1 0, 0.0 56,-0.1 -0.493 63.4 53.8 -80.6 154.3 -6.0 7.3 -11.0 14 14 A G S >> S- 0 0 43 -2,-0.1 3,-1.3 1,-0.1 4,-0.6 -0.001 89.7 -83.1 107.0 152.5 -6.4 3.6 -10.2 15 15 A P G >4 S+ 0 0 119 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.781 119.5 68.5 -58.3 -31.1 -6.6 1.3 -7.1 16 16 A E G 34 S+ 0 0 132 1,-0.2 -2,-0.1 -3,-0.1 -4,-0.0 0.807 110.4 34.0 -58.7 -29.2 -2.8 1.2 -7.0 17 17 A Y G X4 S+ 0 0 37 -3,-1.3 3,-1.8 -5,-0.1 -1,-0.2 0.421 85.5 127.2-110.6 -1.5 -2.8 4.8 -6.0 18 18 A D T << S+ 0 0 86 -3,-0.6 3,-0.1 -4,-0.6 -7,-0.0 -0.351 83.2 6.4 -59.4 132.6 -5.9 5.1 -3.9 19 19 A Q T 3 S+ 0 0 99 1,-0.2 136,-0.4 4,-0.1 -1,-0.3 0.562 96.8 139.3 72.0 10.7 -5.3 6.6 -0.5 20 20 A T X - 0 0 6 -3,-1.8 3,-1.8 134,-0.2 -1,-0.2 -0.472 66.5-111.9 -84.4 159.3 -1.7 7.4 -1.3 21 21 A R G > S+ 0 0 30 132,-2.2 3,-1.6 129,-0.4 131,-0.2 0.812 112.9 64.7 -58.5 -32.4 -0.1 10.7 -0.2 22 22 A H G 3 S+ 0 0 21 129,-2.1 73,-0.3 1,-0.3 -1,-0.3 0.535 94.6 61.5 -76.6 -4.0 0.3 11.9 -3.8 23 23 A N G <> + 0 0 21 -3,-1.8 4,-2.2 128,-0.2 -1,-0.3 0.174 65.9 114.0-103.7 14.9 -3.5 12.0 -4.0 24 24 A A H <> S+ 0 0 1 -3,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.875 76.9 51.5 -54.3 -40.6 -4.0 14.6 -1.2 25 25 A G H > S+ 0 0 0 -15,-0.5 4,-2.0 -3,-0.3 -1,-0.2 0.918 109.0 48.8 -64.2 -45.1 -5.3 17.2 -3.7 26 26 A A H > S+ 0 0 11 -16,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.854 108.7 55.4 -62.8 -35.7 -7.8 14.8 -5.2 27 27 A L H X S+ 0 0 34 -4,-2.2 4,-2.5 -17,-0.3 -1,-0.2 0.919 105.7 51.5 -63.2 -44.0 -8.9 14.0 -1.6 28 28 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.935 112.0 45.7 -57.3 -47.6 -9.5 17.7 -0.9 29 29 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.872 110.9 53.3 -67.4 -36.2 -11.7 18.0 -4.1 30 30 A E H X S+ 0 0 115 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.920 111.7 45.6 -62.1 -43.8 -13.6 14.8 -3.3 31 31 A R H X S+ 0 0 127 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.909 113.9 49.3 -64.6 -43.1 -14.4 16.2 0.2 32 32 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.916 109.8 51.0 -62.8 -44.9 -15.3 19.6 -1.2 33 33 A A H <>S+ 0 0 4 -4,-3.0 5,-3.0 1,-0.2 4,-0.5 0.923 110.7 48.9 -59.4 -45.5 -17.6 18.0 -3.8 34 34 A H H ><5S+ 0 0 164 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.905 111.3 49.2 -61.1 -42.7 -19.4 15.9 -1.2 35 35 A A H 3<5S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.787 115.2 44.0 -68.8 -28.8 -19.9 19.0 1.0 36 36 A Q T 3<5S- 0 0 83 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.358 112.8-116.1 -98.2 3.7 -21.3 21.0 -1.9 37 37 A G T < 5 + 0 0 67 -3,-0.9 2,-0.5 -4,-0.5 -3,-0.2 0.819 61.6 155.2 66.4 32.5 -23.5 18.2 -3.1 38 38 A V < - 0 0 18 -5,-3.0 2,-0.5 -6,-0.2 -1,-0.2 -0.795 37.4-144.1 -98.3 130.2 -21.6 18.0 -6.4 39 39 A S - 0 0 99 -2,-0.5 2,-0.8 13,-0.2 13,-0.3 -0.785 14.2-139.0 -88.5 131.3 -21.4 14.9 -8.5 40 40 A L - 0 0 47 -2,-0.5 2,-0.4 11,-0.1 11,-0.2 -0.830 20.5-157.4 -94.8 111.3 -18.1 14.3 -10.2 41 41 A V E -C 50 0A 86 9,-3.0 9,-3.1 -2,-0.8 2,-1.0 -0.715 19.2-123.4 -93.7 134.6 -18.7 13.1 -13.8 42 42 A A E +C 49 0A 78 -2,-0.4 2,-0.6 7,-0.2 7,-0.2 -0.658 37.3 179.3 -74.1 104.4 -16.1 11.1 -15.8 43 43 A D E > > -C 48 0A 33 5,-2.3 3,-1.9 -2,-1.0 5,-1.2 -0.917 21.1-164.4-115.2 107.5 -15.8 13.3 -18.9 44 44 A R G > 5S+ 0 0 221 -2,-0.6 3,-0.8 1,-0.3 -1,-0.1 0.756 87.1 69.4 -61.0 -24.1 -13.3 11.9 -21.4 45 45 A K G 3 5S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.746 109.4 34.1 -67.0 -23.1 -13.3 15.4 -23.1 46 46 A Y G < 5S- 0 0 16 -3,-1.9 -1,-0.2 2,-0.3 33,-0.2 0.255 107.1-123.2-115.2 9.4 -11.5 16.8 -20.1 47 47 A F T < 5S+ 0 0 80 -3,-0.8 19,-2.3 -4,-0.3 20,-0.6 0.879 81.6 41.2 51.7 45.3 -9.4 13.8 -19.2 48 48 A G E S- D 0 58A 52 3,-2.8 3,-1.6 -2,-0.3 -2,-0.0 -0.915 70.8 -20.1-145.3 118.3 -21.4 30.6 -6.4 56 56 A Q T 3 S- 0 0 150 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.887 127.7 -50.0 51.4 43.2 -22.4 34.3 -6.6 57 57 A G T 3 S+ 0 0 72 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.432 119.9 99.3 84.3 -0.3 -23.9 33.8 -10.0 58 58 A K E < S- D 0 55A 139 -3,-1.6 -3,-2.8 -5,-0.0 2,-0.5 -0.883 75.0-112.1-120.7 151.4 -21.0 32.0 -11.6 59 59 A D E - D 0 54A 58 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.688 25.3-162.0 -80.3 125.6 -20.2 28.4 -12.2 60 60 A V E - D 0 53A 4 -7,-3.0 -7,-2.0 -2,-0.5 2,-0.3 -0.956 13.6-153.5-106.8 119.4 -17.3 27.0 -10.1 61 61 A R E -aD 6 52A 25 -56,-3.0 -54,-2.9 -2,-0.6 2,-0.4 -0.711 6.0-150.3-100.2 143.8 -16.0 23.8 -11.6 62 62 A L E -aD 7 51A 0 -11,-3.1 -11,-2.0 -2,-0.3 2,-0.4 -0.919 16.5-171.6-109.6 136.3 -14.2 20.9 -9.8 63 63 A L E +aD 8 50A 0 -56,-2.6 -54,-2.8 -2,-0.4 -13,-0.2 -0.988 19.2 178.9-135.6 126.2 -11.7 18.8 -11.6 64 64 A I E - D 0 49A 20 -15,-2.3 -15,-2.8 -2,-0.4 -54,-0.1 -0.930 31.0-137.3-118.3 104.1 -9.8 15.6 -10.7 65 65 A P E - D 0 48A 2 0, 0.0 -17,-0.3 0, 0.0 -54,-0.1 -0.315 13.2-164.3 -59.2 141.2 -7.6 14.7 -13.6 66 66 A T + 0 0 64 -19,-2.3 -18,-0.2 -54,-0.1 2,-0.2 0.078 62.6 97.9-113.3 15.8 -7.6 11.0 -14.5 67 67 A T S S- 0 0 16 -20,-0.6 -56,-0.2 1,-0.2 5,-0.1 -0.459 95.9 -77.4 -81.2 173.6 -4.4 11.2 -16.6 68 68 A Y > - 0 0 107 -2,-0.2 3,-2.8 -56,-0.1 -1,-0.2 -0.338 49.1-103.3 -76.6 148.2 -1.2 10.3 -14.8 69 69 A M G > S+ 0 0 6 1,-0.3 3,-1.5 2,-0.2 51,-0.2 0.858 121.2 58.6 -42.5 -37.6 0.1 12.9 -12.5 70 70 A N G 3 S+ 0 0 83 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.479 108.7 44.6 -77.0 -1.5 2.7 13.9 -15.0 71 71 A R G X> S+ 0 0 127 -3,-2.8 3,-1.4 1,-0.1 4,-0.7 0.063 74.5 118.2-123.8 20.3 0.1 14.7 -17.6 72 72 A S H X> + 0 0 0 -3,-1.5 4,-2.0 1,-0.3 3,-0.6 0.797 66.7 66.2 -56.5 -32.4 -2.3 16.6 -15.3 73 73 A G H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.790 91.1 62.9 -63.7 -28.2 -1.8 19.8 -17.4 74 74 A Q H <> S+ 0 0 61 -3,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.896 107.7 42.9 -61.9 -40.8 -3.6 18.1 -20.3 75 75 A S H S+ 0 0 5 -4,-2.8 5,-3.0 -5,-0.2 4,-0.2 0.903 114.0 47.9 -61.5 -42.9 -9.9 25.7 -18.7 81 81 A G H ><5S+ 0 0 45 -4,-2.2 3,-0.8 -5,-0.3 -1,-0.2 0.897 109.4 52.6 -65.6 -41.4 -9.6 26.3 -22.4 82 82 A F H 3<5S+ 0 0 117 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.876 119.2 34.4 -64.3 -39.3 -13.1 25.1 -23.2 83 83 A F T 3<5S- 0 0 63 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.243 110.2-119.2-102.2 12.7 -14.7 27.4 -20.6 84 84 A R T < 5 + 0 0 204 -3,-0.8 2,-0.6 -4,-0.2 -3,-0.2 0.905 49.9 170.7 53.2 48.5 -12.2 30.2 -21.2 85 85 A I < - 0 0 11 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.821 26.6-137.2 -94.5 122.4 -10.9 30.2 -17.6 86 86 A A > - 0 0 56 -2,-0.6 3,-2.2 1,-0.1 -81,-0.2 -0.452 21.2-115.4 -76.1 149.6 -7.9 32.3 -16.9 87 87 A P G > S+ 0 0 21 0, 0.0 3,-2.0 0, 0.0 45,-0.5 0.805 113.8 65.9 -53.8 -32.6 -5.1 30.9 -14.7 88 88 A D G 3 S+ 0 0 67 1,-0.3 -86,-0.1 43,-0.2 43,-0.1 0.675 100.2 52.2 -65.5 -16.6 -5.7 33.6 -12.1 89 89 A A G < S+ 0 0 2 -3,-2.2 -84,-2.5 -85,-0.1 -83,-1.7 0.173 93.8 97.2-102.5 16.1 -9.1 32.0 -11.6 90 90 A I E < -b 6 0A 0 -3,-2.0 42,-2.6 40,-0.2 2,-0.5 -0.904 50.9-168.5-112.7 132.5 -7.7 28.5 -11.0 91 91 A L E -be 7 132A 0 -85,-2.9 -83,-3.3 -2,-0.4 2,-0.6 -0.982 6.5-164.1-116.7 126.0 -6.9 26.9 -7.7 92 92 A V E -be 8 133A 0 40,-3.0 42,-2.3 -2,-0.5 2,-0.4 -0.940 3.8-157.5-114.1 115.7 -4.8 23.7 -7.6 93 93 A A E +be 9 134A 0 -85,-3.5 -83,-2.1 -2,-0.6 2,-0.3 -0.763 27.1 156.5 -89.3 134.7 -4.8 21.5 -4.5 94 94 A H E - e 0 135A 3 40,-2.5 42,-3.0 -2,-0.4 2,-0.2 -0.989 46.2 -88.6-154.6 158.7 -1.8 19.2 -4.1 95 95 A D E - e 0 136A 3 -73,-0.3 2,-0.5 -2,-0.3 42,-0.2 -0.486 39.4-151.4 -68.9 139.7 0.3 17.3 -1.7 96 96 A E E > - e 0 137A 19 40,-2.9 42,-2.2 -2,-0.2 3,-1.1 -0.948 15.2-169.2-123.2 113.4 3.2 19.3 -0.3 97 97 A L T 3 S+ 0 0 29 -2,-0.5 -1,-0.1 1,-0.2 40,-0.0 0.814 85.3 62.7 -65.5 -32.5 6.5 17.6 0.8 98 98 A D T 3 S+ 0 0 120 15,-0.1 -1,-0.2 41,-0.1 42,-0.1 0.348 98.9 61.8 -84.3 7.9 7.8 20.7 2.5 99 99 A M S < S- 0 0 17 -3,-1.1 40,-2.8 40,-0.1 39,-0.9 -0.995 83.7-121.9-131.2 140.6 5.0 20.9 5.1 100 100 A P > - 0 0 74 0, 0.0 3,-1.5 0, 0.0 37,-0.3 -0.302 44.6 -77.3 -75.2 161.2 4.2 18.2 7.7 101 101 A P T 3 S+ 0 0 27 0, 0.0 37,-0.2 0, 0.0 62,-0.2 -0.348 119.9 39.7 -53.6 135.5 0.8 16.5 8.0 102 102 A G T 3 S+ 0 0 4 35,-0.5 2,-0.5 1,-0.2 61,-0.1 0.297 95.2 100.3 103.9 -6.6 -1.7 18.8 9.6 103 103 A V < + 0 0 46 -3,-1.5 34,-2.8 34,-0.1 2,-0.4 -0.953 42.9 176.6-118.7 127.4 -0.5 21.9 7.8 104 104 A A E +F 136 0A 5 -2,-0.5 2,-0.3 85,-0.2 32,-0.2 -0.987 7.3 174.1-126.2 138.5 -2.2 23.5 4.8 105 105 A K E -F 135 0A 71 30,-2.1 30,-3.3 -2,-0.4 2,-0.3 -0.934 23.1-129.2-140.3 165.5 -1.2 26.7 3.1 106 106 A L E +F 134 0A 10 -2,-0.3 2,-0.3 28,-0.2 28,-0.2 -0.868 24.7 176.1-118.8 146.6 -2.0 28.8 0.1 107 107 A K E -F 133 0A 74 26,-1.8 26,-3.0 -2,-0.3 2,-0.4 -0.991 20.8-143.2-153.3 139.5 0.4 30.2 -2.5 108 108 A T E -F 132 0A 76 -2,-0.3 24,-0.2 24,-0.2 -20,-0.0 -0.882 66.8 -28.8-104.8 137.6 0.2 32.2 -5.7 109 109 A G S S+ 0 0 3 22,-2.2 2,-0.2 -2,-0.4 24,-0.1 -0.064 80.1 119.2 56.8-157.3 2.6 31.4 -8.6 110 110 A G - 0 0 52 2,-0.0 -1,-0.1 -3,-0.0 21,-0.1 -0.557 64.7 -50.2 97.3-163.2 6.0 30.0 -7.9 111 111 A G - 0 0 45 -2,-0.2 7,-0.0 1,-0.0 8,-0.0 -0.208 44.5-107.5-102.4-167.8 7.6 26.8 -9.0 112 112 A H > - 0 0 74 -2,-0.1 3,-2.1 6,-0.0 6,-0.2 0.606 36.1-141.2 -99.8 -15.7 6.5 23.1 -8.9 113 113 A G T 3 S- 0 0 66 1,-0.3 -16,-0.2 5,-0.1 3,-0.1 0.866 72.1 -52.8 58.3 39.6 8.9 22.1 -6.2 114 114 A G T 3 S+ 0 0 52 1,-0.3 2,-0.8 2,-0.0 -1,-0.3 0.314 103.8 136.3 77.9 -9.5 9.6 18.8 -7.9 115 115 A H <> - 0 0 16 -3,-2.1 4,-2.1 1,-0.2 -1,-0.3 -0.627 42.1-161.2 -74.3 111.2 5.9 18.1 -8.0 116 116 A N H > S+ 0 0 64 -2,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.677 85.7 59.7 -74.6 -18.1 5.5 16.7 -11.5 117 117 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.952 110.3 40.1 -68.0 -54.5 1.8 17.4 -11.6 118 118 A L H > S+ 0 0 3 -6,-0.2 4,-3.0 1,-0.2 5,-0.2 0.888 111.9 61.4 -57.3 -38.0 2.2 21.2 -11.0 119 119 A R H X S+ 0 0 113 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.924 107.3 41.6 -56.3 -48.9 5.2 20.9 -13.4 120 120 A D H X S+ 0 0 28 -4,-1.7 4,-2.7 -51,-0.2 -1,-0.2 0.837 113.2 53.0 -71.5 -34.0 2.9 19.8 -16.2 121 121 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.4 0.925 109.3 49.3 -66.5 -42.4 0.2 22.3 -15.4 122 122 A I H X S+ 0 0 22 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.851 113.5 47.7 -63.1 -35.7 2.7 25.1 -15.5 123 123 A A H < S+ 0 0 67 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.923 113.6 45.5 -71.3 -45.4 3.9 23.8 -18.8 124 124 A Q H < S+ 0 0 96 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.847 123.9 33.6 -69.5 -35.2 0.5 23.5 -20.4 125 125 A L H < S- 0 0 33 -4,-2.4 2,-0.2 1,-0.2 -2,-0.2 0.825 114.2-121.4 -87.9 -37.0 -0.8 26.8 -19.2 126 126 A G < - 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