==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-APR-13 4K6N . COMPND 2 MOLECULE: AMINODEOXYCHORISMATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.-N.DAI,C.-B.CHI,K.ZHOU,W.CHENG,Y.-L.JIANG,Y.-M.REN,Y.CHEN, . 352 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 15.3 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 1 1 0 2 1 1 1 0 1 1 0 0 0 1 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 . 3 1 1 2 1 1 1 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 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 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 23 A P 0 0 135 0, 0.0 2,-0.7 0, 0.0 231,-0.1 0.000 360.0 360.0 360.0 163.8 1.0 26.2 -34.0 2 24 A N + 0 0 151 229,-0.1 163,-0.1 2,-0.0 229,-0.0 -0.523 360.0 172.3-100.5 64.4 0.0 22.8 -32.7 3 25 A F - 0 0 19 -2,-0.7 162,-0.4 161,-0.1 2,-0.4 -0.093 25.5-143.2 -76.1 165.6 -3.4 23.7 -31.4 4 26 A E - 0 0 36 160,-0.2 227,-2.1 161,-0.1 228,-0.3 -0.975 24.0-114.6-123.6 143.5 -6.3 21.6 -30.0 5 27 A V E -AB 163 230A 2 158,-2.7 158,-2.4 -2,-0.4 2,-0.4 -0.601 41.9-149.1 -73.7 140.9 -10.0 22.2 -30.5 6 28 A L E +A 162 0A 11 223,-2.3 2,-0.4 -2,-0.3 156,-0.2 -0.933 25.6 177.0-127.1 136.8 -11.4 23.0 -27.1 7 29 A A E -A 161 0A 4 154,-2.4 154,-3.0 -2,-0.4 2,-0.4 -0.994 7.3-179.3-132.5 127.3 -14.8 22.6 -25.3 8 30 A T E +A 160 0A 18 -2,-0.4 2,-0.3 152,-0.2 331,-0.3 -0.996 13.8 153.1-128.6 133.7 -15.5 23.6 -21.7 9 31 A F E -A 159 0A 1 150,-1.6 150,-2.8 -2,-0.4 331,-0.3 -0.993 41.5 -92.2-159.1 153.7 -18.8 23.1 -19.9 10 32 A R E -A 158 0A 15 329,-2.2 88,-3.0 -2,-0.3 2,-0.5 -0.457 19.4-161.1 -71.1 138.7 -20.3 22.6 -16.4 11 33 A Y E +AC 157 97A 2 146,-2.7 146,-2.1 86,-0.2 86,-0.2 -0.997 23.3 173.9-108.1 120.6 -21.0 19.2 -14.8 12 34 A D > - 0 0 2 84,-2.3 3,-2.2 -2,-0.5 4,-0.2 -0.908 29.0-162.5-135.7 106.3 -23.5 20.0 -12.0 13 35 A P G > S+ 0 0 6 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.772 90.9 69.3 -54.0 -27.4 -25.1 17.2 -10.0 14 36 A G G 3 S+ 0 0 12 1,-0.3 3,-0.3 140,-0.2 181,-0.2 0.590 86.3 68.8 -70.2 -9.9 -27.8 19.7 -8.9 15 37 A F G < S+ 0 0 1 -3,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.576 112.4 25.8 -83.0 -15.1 -29.2 19.7 -12.5 16 38 A A S < S+ 0 0 0 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.3 -0.713 86.8 176.9-149.4 100.9 -30.5 16.1 -12.2 17 39 A R E -E 27 0B 26 10,-2.3 10,-3.3 -3,-0.3 2,-0.2 -0.806 34.5-109.8-118.9 140.3 -31.2 15.2 -8.7 18 40 A Q E -E 26 0B 65 -2,-0.3 8,-0.2 8,-0.2 5,-0.1 -0.480 45.8-108.5 -64.0 130.5 -32.7 12.2 -6.9 19 41 A S - 0 0 8 6,-3.1 6,-0.1 3,-0.4 -1,-0.1 -0.383 16.5-146.0 -55.6 136.0 -36.1 13.0 -5.5 20 42 A A S S+ 0 0 111 167,-0.1 3,-0.1 1,-0.1 -1,-0.1 0.793 98.7 41.6 -73.4 -30.1 -36.2 13.3 -1.7 21 43 A S S S+ 0 0 100 1,-0.2 2,-0.5 4,-0.0 -1,-0.1 0.923 123.1 28.5 -83.6 -49.1 -39.7 11.8 -1.6 22 44 A K > - 0 0 136 1,-0.1 3,-1.8 3,-0.1 -3,-0.4 -0.946 62.8-156.4-125.4 117.7 -39.5 8.9 -4.2 23 45 A K T 3 S+ 0 0 168 -2,-0.5 -1,-0.1 1,-0.3 59,-0.1 0.620 90.4 61.7 -70.3 -15.7 -36.3 7.1 -4.9 24 46 A E T 3 S+ 0 0 110 57,-0.1 58,-3.1 -6,-0.1 2,-0.4 0.485 94.8 84.1 -83.7 -1.1 -37.2 5.9 -8.4 25 47 A I E < - F 0 81B 21 -3,-1.8 -6,-3.1 56,-0.2 2,-0.4 -0.865 56.1-168.6-111.6 130.3 -37.5 9.5 -9.5 26 48 A F E -EF 18 80B 14 54,-2.4 54,-2.2 -2,-0.4 2,-0.4 -0.950 18.0-143.1-110.8 142.1 -34.8 12.0 -10.7 27 49 A E E +EF 17 79B 23 -10,-3.3 -10,-2.3 -2,-0.4 52,-0.2 -0.877 20.8 174.8-110.5 133.8 -35.8 15.7 -11.0 28 50 A T E - F 0 78B 6 50,-2.4 50,-2.4 -2,-0.4 164,-0.3 -0.832 42.1 -68.9-129.6 167.2 -34.5 18.0 -13.8 29 51 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 -0.155 62.3 -83.2 -61.2 153.9 -35.4 21.6 -14.6 30 52 A D > - 0 0 21 1,-0.1 3,-2.5 47,-0.1 5,-0.3 -0.252 41.8-117.3 -46.6 134.5 -38.8 22.7 -16.1 31 53 A P G > S+ 0 0 98 0, 0.0 3,-2.3 0, 0.0 5,-0.2 0.773 111.0 72.1 -53.6 -28.2 -38.8 22.1 -19.9 32 54 A R G 3 S+ 0 0 100 1,-0.3 -2,-0.1 2,-0.1 32,-0.0 0.730 84.5 68.1 -57.8 -21.8 -39.3 25.9 -20.4 33 55 A L G < S- 0 0 0 -3,-2.5 -1,-0.3 1,-0.1 282,-0.1 0.474 103.2-135.6 -83.1 -1.0 -35.7 26.3 -19.3 34 56 A G X + 0 0 11 -3,-2.3 3,-0.8 -4,-0.1 -2,-0.1 0.607 60.0 135.0 69.0 19.1 -34.7 24.5 -22.6 35 57 A L T 3 S+ 0 0 21 -5,-0.3 64,-0.2 1,-0.2 -1,-0.1 0.792 76.2 43.6 -68.4 -26.8 -32.0 22.1 -21.3 36 58 A R T 3 S- 0 0 93 -5,-0.2 -1,-0.2 63,-0.0 2,-0.1 -0.300 79.1-176.2-115.4 44.7 -33.5 19.2 -23.4 37 59 A D <> - 0 0 35 -3,-0.8 4,-2.3 1,-0.1 5,-0.1 -0.201 15.2-157.0 -55.3 117.5 -34.2 20.8 -26.8 38 60 A E H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.876 89.7 55.0 -61.6 -44.8 -35.9 18.3 -29.1 39 61 A D H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 111.2 44.7 -53.9 -50.6 -34.9 20.0 -32.4 40 62 A I H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.911 110.7 54.6 -62.5 -43.4 -31.2 19.9 -31.4 41 63 A R H X S+ 0 0 126 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.922 111.6 45.0 -53.8 -46.9 -31.5 16.3 -30.3 42 64 A Q H X S+ 0 0 70 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.866 107.9 57.5 -66.3 -38.5 -32.9 15.4 -33.7 43 65 A Q H <>S+ 0 0 41 -4,-2.3 5,-3.8 2,-0.2 -2,-0.2 0.916 109.2 45.9 -58.1 -44.2 -30.2 17.4 -35.5 44 66 A I H ><5S+ 0 0 21 -4,-2.3 3,-2.2 3,-0.2 -2,-0.2 0.941 110.2 52.3 -64.8 -50.0 -27.6 15.3 -33.8 45 67 A I H 3<5S+ 0 0 96 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.883 113.0 47.1 -50.3 -38.9 -29.5 12.0 -34.6 46 68 A N T 3<5S- 0 0 113 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.330 115.3-118.5 -86.7 6.5 -29.5 13.3 -38.2 47 69 A E T < 5 + 0 0 147 -3,-2.2 2,-0.9 1,-0.2 -3,-0.2 0.836 64.3 148.3 56.2 35.3 -25.7 14.2 -38.1 48 70 A D < + 0 0 46 -5,-3.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.865 5.5 151.9-100.2 100.1 -26.7 17.8 -38.8 49 71 A Y > + 0 0 35 -2,-0.9 3,-1.9 -3,-0.1 4,-0.2 0.788 61.3 67.2 -96.9 -33.1 -24.1 19.9 -37.0 50 72 A S G > S+ 0 0 65 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.702 81.6 77.3 -67.6 -19.3 -24.1 23.0 -39.1 51 73 A S G > S+ 0 0 18 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.715 76.9 77.8 -60.7 -20.7 -27.6 24.0 -38.0 52 74 A Y G < S+ 0 0 4 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.792 92.0 52.8 -52.7 -30.4 -25.9 25.1 -34.8 53 75 A L G < S+ 0 0 78 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.649 85.7 107.0 -83.6 -16.4 -24.9 28.2 -36.8 54 76 A R S < S- 0 0 151 -3,-1.1 2,-0.7 -4,-0.3 -3,-0.0 -0.404 74.2-122.2 -74.6 136.4 -28.4 29.1 -38.0 55 77 A V - 0 0 101 -2,-0.1 2,-0.8 1,-0.1 -1,-0.1 -0.706 24.8-127.9 -77.2 113.0 -30.2 32.1 -36.4 56 78 A R - 0 0 85 -2,-0.7 2,-0.1 1,-0.1 -1,-0.1 -0.549 34.4-116.9 -64.8 105.7 -33.5 30.8 -34.9 57 79 A E - 0 0 170 -2,-0.8 -1,-0.1 2,-0.0 -3,-0.0 -0.275 64.7 -36.6 -55.9 115.6 -35.9 33.2 -36.6 58 80 A V - 0 0 115 -2,-0.1 2,-0.3 1,-0.1 258,-0.0 0.489 66.6-127.1 54.3 160.2 -37.6 35.4 -33.9 59 81 A N - 0 0 73 257,-0.1 2,-0.5 256,-0.0 3,-0.2 -0.975 21.3-155.8-148.3 135.9 -38.8 34.3 -30.5 60 82 A S + 0 0 130 -2,-0.3 256,-0.1 1,-0.2 4,-0.1 -0.415 65.5 118.7 -91.1 51.5 -41.9 34.3 -28.3 61 83 A G > + 0 0 11 -2,-0.5 3,-2.1 255,-0.1 -1,-0.2 0.978 32.7 101.6 -78.1 -71.3 -39.5 34.1 -25.3 62 84 A G T 3 S+ 0 0 64 254,-0.5 255,-0.1 1,-0.3 254,-0.0 0.187 76.0 49.5 -25.0 123.7 -40.2 37.3 -23.3 63 85 A D T 3> S+ 0 0 97 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 -0.379 97.6 74.5 114.0 -43.1 -42.4 36.3 -20.3 64 86 A L H <> S+ 0 0 8 -3,-2.1 4,-3.0 2,-0.2 5,-0.2 0.934 94.5 51.8 -56.4 -45.1 -39.8 33.7 -19.7 65 87 A L H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 107.8 50.0 -59.9 -48.2 -37.7 36.6 -18.5 66 88 A E H 4 S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.905 114.2 45.6 -52.3 -45.8 -40.5 37.8 -16.1 67 89 A N H >< S+ 0 0 51 -4,-2.2 3,-1.9 1,-0.2 6,-0.2 0.887 108.9 54.0 -68.0 -43.3 -40.8 34.2 -14.7 68 90 A I H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.845 99.3 64.1 -58.2 -34.1 -37.1 33.6 -14.4 69 91 A Q T 3< S+ 0 0 42 -4,-1.8 -1,-0.3 1,-0.3 136,-0.2 0.478 100.4 53.8 -74.6 0.5 -37.0 36.9 -12.3 70 92 A H S X S+ 0 0 94 -3,-1.9 3,-1.8 -5,-0.1 -1,-0.3 -0.612 72.4 164.3-121.8 68.0 -39.2 35.0 -9.8 71 93 A P G > + 0 0 15 0, 0.0 3,-1.0 0, 0.0 125,-0.1 0.773 67.3 56.8 -67.5 -26.6 -36.9 32.0 -9.4 72 94 A D G 3 S+ 0 0 78 1,-0.2 118,-0.1 -3,-0.1 121,-0.1 0.608 93.0 70.9 -77.3 -8.9 -38.5 30.6 -6.2 73 95 A A G < S+ 0 0 72 -3,-1.8 2,-0.9 -6,-0.2 -1,-0.2 0.580 71.5 105.5 -84.5 -6.3 -41.9 30.3 -7.9 74 96 A W < + 0 0 16 -3,-1.0 119,-0.5 -4,-0.3 116,-0.3 -0.618 29.4 148.3 -81.0 106.5 -40.7 27.4 -10.1 75 97 A K + 0 0 130 -2,-0.9 2,-1.3 1,-0.1 -1,-0.2 0.517 42.9 93.2-111.8 -6.7 -42.2 24.2 -8.8 76 98 A H + 0 0 149 114,-0.1 -1,-0.1 115,-0.0 3,-0.1 -0.426 51.2 172.4 -97.0 65.0 -42.6 22.1 -12.0 77 99 A D - 0 0 20 -2,-1.3 2,-0.3 -47,-0.1 -47,-0.1 -0.345 39.7-107.8 -62.2 146.4 -39.5 20.1 -12.2 78 100 A C E -F 28 0B 44 -50,-2.4 -50,-2.4 -49,-0.1 2,-0.4 -0.590 36.2-150.5 -71.2 136.3 -39.3 17.4 -14.9 79 101 A K E -F 27 0B 118 -2,-0.3 2,-0.4 -52,-0.2 -52,-0.2 -0.956 15.6-178.3-117.5 132.2 -39.6 13.9 -13.4 80 102 A T E -F 26 0B 54 -54,-2.2 -54,-2.4 -2,-0.4 2,-0.5 -0.992 28.7-123.7-130.1 134.4 -38.0 10.7 -14.8 81 103 A I E -F 25 0B 107 -2,-0.4 2,-0.5 -56,-0.2 -56,-0.2 -0.660 33.5-171.5 -74.3 124.8 -38.1 7.1 -13.6 82 104 A V - 0 0 11 -58,-3.1 2,-0.2 -2,-0.5 -2,-0.0 -0.984 4.4-166.1-126.4 119.8 -34.5 6.0 -13.2 83 105 A C - 0 0 26 -2,-0.5 2,-0.1 2,-0.1 6,-0.1 -0.485 41.3 -95.7 -96.7 174.0 -33.6 2.3 -12.4 84 106 A Q S S+ 0 0 110 -2,-0.2 2,-0.3 4,-0.1 64,-0.1 0.079 84.4 122.3 -78.8 26.0 -30.3 1.0 -11.2 85 107 A R S > S- 0 0 134 1,-0.1 4,-2.3 -2,-0.1 3,-0.5 -0.678 73.1-121.5 -93.5 144.9 -29.3 0.2 -14.8 86 108 A V H > S+ 0 0 35 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.860 111.6 54.3 -49.7 -43.3 -26.1 1.5 -16.5 87 109 A E H > S+ 0 0 118 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.897 109.5 46.3 -61.2 -44.5 -28.2 3.2 -19.3 88 110 A D H > S+ 0 0 37 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.883 114.5 48.5 -64.8 -41.8 -30.4 5.1 -16.9 89 111 A M H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.931 108.8 51.6 -65.5 -44.6 -27.4 6.2 -14.9 90 112 A L H X S+ 0 0 19 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.877 108.8 53.6 -57.9 -38.1 -25.5 7.3 -18.0 91 113 A Q H X S+ 0 0 88 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.900 106.2 50.9 -64.5 -42.3 -28.6 9.4 -18.9 92 114 A V H X S+ 0 0 4 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.939 113.0 46.6 -56.9 -45.3 -28.6 11.1 -15.5 93 115 A I H >X S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 4,-0.5 0.939 109.4 53.8 -66.8 -46.4 -24.9 12.0 -15.9 94 116 A Y H >< S+ 0 0 24 -4,-3.0 3,-1.5 1,-0.2 6,-0.3 0.903 105.9 53.7 -48.0 -46.2 -25.6 13.2 -19.5 95 117 A E H 3< S+ 0 0 18 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.636 101.9 60.1 -70.2 -15.2 -28.3 15.5 -18.1 96 118 A R H << S+ 0 0 11 -3,-1.3 -84,-2.3 -4,-0.7 2,-0.6 0.536 84.5 89.6 -86.0 -8.1 -25.8 17.0 -15.7 97 119 A F B X< S-C 11 0A 3 -3,-1.5 3,-1.0 -4,-0.5 2,-0.5 -0.812 86.2-123.3 -90.6 120.8 -23.5 18.2 -18.5 98 120 A F T 3 S- 0 0 2 -88,-3.0 -88,-0.1 -2,-0.6 -2,-0.1 -0.522 79.4 -21.8 -74.5 116.0 -24.6 21.7 -19.4 99 121 A L T 3> S+ 0 0 6 -2,-0.5 4,-2.5 -64,-0.2 -1,-0.3 0.805 79.2 157.7 59.9 38.3 -25.5 22.0 -23.1 100 122 A L H <> S+ 0 0 2 -3,-1.0 4,-2.7 -6,-0.3 5,-0.2 0.874 70.9 55.7 -61.2 -36.8 -23.4 19.0 -24.2 101 123 A D H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 111.0 43.6 -61.1 -46.6 -25.5 18.6 -27.4 102 124 A E H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.882 113.0 52.0 -66.2 -38.6 -24.7 22.2 -28.4 103 125 A Q H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.902 108.9 52.5 -60.9 -40.7 -21.0 21.6 -27.4 104 126 A Y H X S+ 0 0 2 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.939 108.6 48.2 -62.8 -47.3 -21.0 18.5 -29.6 105 127 A Q H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.934 112.8 48.5 -59.7 -44.6 -22.4 20.3 -32.6 106 128 A R H X S+ 0 0 11 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.928 110.0 50.5 -66.0 -43.3 -19.9 23.1 -32.3 107 129 A I H X S+ 0 0 7 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.914 109.9 51.5 -60.9 -37.8 -16.9 20.8 -31.9 108 130 A R H X S+ 0 0 51 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.891 111.5 47.7 -65.6 -37.6 -18.0 18.8 -35.0 109 131 A I H X S+ 0 0 24 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.942 113.9 46.1 -64.6 -50.6 -18.2 22.1 -37.0 110 132 A A H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.931 113.2 49.7 -58.0 -48.0 -14.8 23.3 -35.8 111 133 A L H <>S+ 0 0 2 -4,-2.9 5,-2.6 -5,-0.2 4,-0.4 0.917 112.0 48.0 -62.1 -42.2 -13.2 19.8 -36.5 112 134 A S H ><5S+ 0 0 94 -4,-2.3 3,-1.2 -5,-0.2 -1,-0.2 0.937 112.3 49.7 -60.0 -47.1 -14.7 19.8 -40.0 113 135 A Y H 3<5S+ 0 0 140 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.914 113.6 44.5 -59.5 -45.0 -13.4 23.3 -40.6 114 136 A F T 3<5S- 0 0 33 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.418 112.4-121.4 -80.4 2.4 -9.9 22.5 -39.4 115 137 A K T < 5 + 0 0 184 -3,-1.2 2,-0.6 -4,-0.4 -3,-0.2 0.894 56.4 155.2 57.2 46.5 -9.9 19.2 -41.4 116 138 A I < - 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