==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 29-JUN-10 3NQC . COMPND 2 MOLECULE: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR A.A.FEDOROV,E.V.FEDOROV,B.M.WOOD,J.A.GERLT,S.C.ALMO . 437 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 25 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 4 0 0 2 0 0 3 5 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 10 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 8 A V 0 0 124 0, 0.0 145,-0.0 0, 0.0 167,-0.0 0.000 360.0 360.0 360.0 157.0 20.9 20.5 8.6 2 9 A M - 0 0 19 1,-0.1 2,-1.1 2,-0.0 0, 0.0 -0.307 360.0-126.8 -59.3 143.0 23.3 18.6 10.8 3 10 A D - 0 0 123 29,-0.1 2,-0.6 4,-0.0 -1,-0.1 -0.769 27.5-162.9 -96.7 92.1 26.9 18.9 9.7 4 11 A V > - 0 0 12 -2,-1.1 3,-1.9 1,-0.1 5,-0.1 -0.651 21.2-120.3 -84.2 117.5 28.0 15.2 9.6 5 12 A M G > S- 0 0 71 -2,-0.6 3,-1.7 1,-0.3 27,-0.3 -0.315 91.0 -6.8 -59.3 131.1 31.8 14.8 9.6 6 13 A N G 3 S- 0 0 53 1,-0.3 -1,-0.3 25,-0.1 3,-0.1 0.595 109.6 -89.4 58.8 15.3 33.0 13.0 6.5 7 14 A R G < S+ 0 0 57 -3,-1.9 185,-2.6 1,-0.2 2,-0.5 0.781 97.1 125.3 56.3 28.8 29.4 12.3 5.4 8 15 A L E < -a 192 0A 0 -3,-1.7 2,-0.5 183,-0.2 25,-0.4 -0.975 42.2-170.5-129.5 121.5 29.7 9.1 7.4 9 16 A I E -a 193 0A 0 183,-3.0 185,-2.8 -2,-0.5 2,-0.5 -0.946 20.5-134.8-111.9 126.9 27.5 7.9 10.3 10 17 A L E -ab 194 34A 0 23,-1.7 25,-3.3 -2,-0.5 2,-1.0 -0.706 6.2-149.1 -80.8 124.0 28.5 4.9 12.4 11 18 A A E - b 0 35A 5 183,-2.4 2,-1.4 -2,-0.5 188,-0.2 -0.834 15.4-160.5 -89.2 99.0 25.7 2.4 13.0 12 19 A M E + b 0 36A 0 23,-2.3 25,-0.6 -2,-1.0 28,-0.3 -0.654 30.7 151.6 -88.6 86.2 26.8 1.2 16.4 13 20 A D + 0 0 13 -2,-1.4 -1,-0.2 23,-0.1 2,-0.1 0.153 24.6 124.4-105.9 16.9 24.9 -2.2 16.7 14 21 A L - 0 0 26 1,-0.1 186,-0.0 2,-0.1 -2,-0.0 -0.459 53.1-147.9 -66.7 154.2 27.4 -4.0 19.0 15 22 A M + 0 0 58 -2,-0.1 2,-0.4 28,-0.1 -1,-0.1 0.237 69.7 78.4-118.1 11.4 25.5 -5.2 22.0 16 23 A N S > S- 0 0 62 1,-0.1 4,-2.6 28,-0.0 5,-0.2 -0.982 71.9-139.1-124.1 131.1 28.2 -5.0 24.7 17 24 A R H > S+ 0 0 48 -2,-0.4 4,-2.8 1,-0.2 5,-0.3 0.909 101.2 52.2 -57.7 -45.1 29.1 -1.7 26.3 18 25 A D H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 114.1 41.4 -60.2 -47.0 32.8 -2.4 26.4 19 26 A D H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.909 114.9 51.4 -68.1 -41.1 33.0 -3.3 22.7 20 27 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.923 112.7 45.2 -63.0 -43.8 30.7 -0.5 21.6 21 28 A L H X S+ 0 0 9 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.902 113.1 51.3 -65.7 -41.3 32.7 2.1 23.5 22 29 A R H X S+ 0 0 118 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.956 113.3 42.5 -61.2 -50.9 36.0 0.8 22.2 23 30 A V H X S+ 0 0 1 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.924 114.6 50.2 -65.9 -42.7 35.0 0.8 18.5 24 31 A T H >X S+ 0 0 2 -4,-2.2 4,-0.5 -5,-0.3 3,-0.5 0.926 111.0 49.7 -62.5 -41.7 33.3 4.1 18.7 25 32 A G H >< S+ 0 0 30 -4,-2.4 3,-0.7 1,-0.2 4,-0.3 0.863 106.8 56.7 -61.9 -35.4 36.4 5.6 20.4 26 33 A E H 3< S+ 0 0 78 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.782 113.8 37.4 -69.9 -27.0 38.7 4.1 17.7 27 34 A V H XX S+ 0 0 2 -4,-1.3 3,-2.2 -3,-0.5 4,-1.3 0.356 82.9 107.4-105.9 6.3 36.8 5.8 14.9 28 35 A R T << S+ 0 0 65 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.1 0.753 71.7 62.5 -61.6 -25.1 36.1 9.1 16.6 29 36 A E T 34 S+ 0 0 141 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.737 114.2 35.7 -69.6 -16.6 38.7 11.0 14.5 30 37 A Y T <4 S+ 0 0 58 -3,-2.2 2,-0.4 1,-0.2 -2,-0.2 0.649 118.6 44.5-107.4 -21.1 36.6 10.2 11.4 31 38 A I < + 0 0 2 -4,-1.3 -1,-0.2 -7,-0.2 -22,-0.1 -0.993 39.5 172.6-137.9 129.3 33.0 10.3 12.6 32 39 A D S S+ 0 0 23 -2,-0.4 27,-2.7 -24,-0.3 2,-0.4 0.209 70.9 69.4-116.0 11.4 31.1 12.8 14.8 33 40 A T E - c 0 59A 0 -25,-0.4 -23,-1.7 25,-0.2 2,-0.4 -0.982 60.6-173.8-135.9 121.4 27.6 11.3 14.3 34 41 A V E -bc 10 60A 1 25,-2.9 27,-2.5 -2,-0.4 2,-0.6 -0.948 16.0-148.5-122.5 132.5 26.6 7.9 15.8 35 42 A K E -bc 11 61A 16 -25,-3.3 -23,-2.3 -2,-0.4 2,-0.5 -0.901 17.3-171.0 -97.2 120.4 23.4 6.0 15.2 36 43 A I E +bc 12 62A 1 25,-2.5 27,-2.2 -2,-0.6 2,-0.1 -0.964 10.7 178.8-114.2 123.6 22.4 4.0 18.3 37 44 A G E > - c 0 63A 1 -25,-0.6 4,-2.4 -2,-0.5 3,-0.4 -0.375 45.6 -76.4-113.0-168.0 19.6 1.5 17.9 38 45 A Y H > S+ 0 0 12 25,-0.7 4,-2.7 1,-0.2 5,-0.4 0.809 117.0 68.5 -65.0 -31.5 17.7 -1.0 20.0 39 46 A P H 4 S+ 0 0 1 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.956 114.2 30.0 -52.0 -47.2 20.4 -3.7 19.8 40 47 A L H >> S+ 0 0 0 -3,-0.4 4,-2.3 -28,-0.3 3,-0.5 0.932 122.2 49.6 -78.2 -43.5 22.6 -1.6 22.0 41 48 A V H 3X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -3,-0.2 0.902 111.3 47.5 -64.6 -42.5 19.9 0.2 24.0 42 49 A L H 3< S+ 0 0 10 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.684 117.5 45.9 -72.9 -15.0 18.0 -2.9 25.0 43 50 A S H <4 S+ 0 0 45 -3,-0.5 -2,-0.2 -4,-0.5 -1,-0.2 0.796 130.4 16.0 -92.4 -32.8 21.3 -4.5 26.0 44 51 A E H < S- 0 0 54 -4,-2.3 -3,-0.2 1,-0.2 3,-0.2 0.478 105.9-107.9-125.2 -8.3 22.8 -1.7 28.0 45 52 A G >< - 0 0 23 -4,-2.5 3,-1.9 -5,-0.3 4,-0.2 -0.011 37.1 -75.4 98.2 158.8 20.1 0.8 28.8 46 53 A M T >> S+ 0 0 24 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.694 119.7 78.1 -64.7 -17.8 19.2 4.3 27.7 47 54 A D H 3> S+ 0 0 94 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.602 73.3 79.4 -67.8 -8.9 22.1 5.5 29.8 48 55 A I H <> S+ 0 0 0 -3,-1.9 4,-2.3 2,-0.2 -1,-0.3 0.826 87.7 57.0 -65.8 -29.0 24.4 4.4 26.9 49 56 A I H <> S+ 0 0 1 -3,-1.6 4,-2.2 -4,-0.2 -1,-0.2 0.943 106.6 48.6 -64.0 -46.1 23.4 7.6 25.2 50 57 A A H X S+ 0 0 56 -4,-0.6 4,-2.4 1,-0.2 -2,-0.2 0.892 110.6 50.9 -58.1 -43.3 24.7 9.6 28.2 51 58 A E H X S+ 0 0 56 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.912 109.2 50.0 -66.6 -41.4 27.9 7.6 28.2 52 59 A F H X>S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.9 0.916 111.8 48.0 -61.3 -43.1 28.5 8.2 24.5 53 60 A R H X5S+ 0 0 109 -4,-2.2 4,-1.0 3,-0.2 -2,-0.2 0.917 114.2 47.3 -63.5 -41.3 28.0 12.0 24.9 54 61 A K H <5S+ 0 0 179 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.921 120.8 36.0 -65.5 -44.6 30.3 12.0 27.9 55 62 A R H <5S+ 0 0 129 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.859 136.0 12.0 -80.0 -39.0 33.1 10.0 26.2 56 63 A F H <5S- 0 0 24 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.641 77.3-136.9-119.6 -22.0 32.9 11.2 22.6 57 64 A G << + 0 0 38 -4,-1.0 2,-0.3 -5,-0.9 -4,-0.2 0.938 51.7 153.3 56.5 44.6 30.8 14.3 22.3 58 65 A C - 0 0 0 -6,-0.4 -25,-0.2 1,-0.0 -1,-0.2 -0.772 52.0-105.0 -98.7 151.2 29.2 12.8 19.1 59 66 A R E -c 33 0A 62 -27,-2.7 -25,-2.9 -2,-0.3 2,-0.5 -0.505 38.5-142.1 -66.1 147.1 25.7 13.6 17.9 60 67 A I E -c 34 0A 0 24,-0.2 26,-1.8 -27,-0.2 27,-1.3 -0.957 16.2-167.3-123.5 121.5 23.3 10.7 18.6 61 68 A I E -cd 35 87A 3 -27,-2.5 -25,-2.5 -2,-0.5 2,-1.0 -0.934 18.2-145.2-100.3 118.6 20.6 9.5 16.4 62 69 A A E -cd 36 88A 0 25,-3.1 27,-2.0 -2,-0.6 2,-1.8 -0.758 9.9-156.9 -85.6 104.9 18.3 7.1 18.3 63 70 A D E +c 37 0A 16 -27,-2.2 -25,-0.7 -2,-1.0 25,-0.1 -0.529 42.2 138.1 -87.5 75.5 17.3 4.6 15.6 64 71 A F E - 0 0 7 -2,-1.8 -1,-0.2 25,-0.3 3,-0.2 0.472 51.9-143.3-102.3 -5.6 14.1 3.4 17.2 65 72 A K E - 0 0 22 -3,-0.2 25,-0.3 1,-0.2 -2,-0.1 0.880 23.2-142.4 45.1 50.2 11.9 3.3 14.0 66 73 A V E + d 0 90A 4 23,-2.2 25,-2.3 1,-0.1 -1,-0.2 -0.169 35.7 162.2 -51.2 127.5 8.9 4.5 16.0 67 74 A A + 0 0 7 -3,-0.2 2,-0.1 23,-0.2 -1,-0.1 -0.134 30.1 102.4-149.4 40.7 5.9 2.6 14.7 68 75 A D S S- 0 0 15 1,-0.2 270,-0.0 30,-0.1 215,-0.0 -0.387 77.6 -64.1-113.5-170.9 3.0 2.8 17.2 69 76 A I > - 0 0 17 -2,-0.1 4,-2.7 1,-0.1 3,-0.3 -0.332 58.8 -99.2 -71.3 161.1 -0.2 4.7 17.6 70 77 A P H > S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.897 120.5 51.7 -53.5 -45.3 0.1 8.5 18.1 71 78 A E H > S+ 0 0 69 1,-0.2 4,-1.3 2,-0.2 27,-0.0 0.894 115.0 41.6 -61.6 -40.7 -0.3 8.3 21.9 72 79 A T H > S+ 0 0 13 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.881 110.3 58.1 -74.5 -36.8 2.4 5.7 22.4 73 80 A N H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.902 103.8 53.3 -57.2 -42.7 4.7 7.4 19.8 74 81 A E H X S+ 0 0 59 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.919 109.1 48.5 -58.9 -45.3 4.6 10.6 21.9 75 82 A K H X S+ 0 0 34 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.906 110.9 50.3 -61.6 -44.8 5.7 8.6 25.0 76 83 A I H X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.924 112.2 47.0 -61.0 -44.2 8.5 6.9 23.2 77 84 A C H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.929 110.9 51.9 -64.2 -44.2 9.8 10.2 21.8 78 85 A R H X S+ 0 0 84 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.914 111.9 45.6 -58.5 -45.1 9.6 11.9 25.2 79 86 A A H X S+ 0 0 8 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.881 114.2 49.9 -65.0 -37.9 11.6 9.2 26.9 80 87 A T H <>S+ 0 0 0 -4,-2.0 5,-1.5 -5,-0.2 4,-0.3 0.913 113.2 43.2 -71.1 -42.9 14.2 9.1 24.1 81 88 A F H ><5S+ 0 0 2 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.842 107.3 61.5 -73.7 -30.2 14.8 12.8 24.0 82 89 A K H 3<5S+ 0 0 184 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.872 100.6 55.8 -58.5 -37.1 14.9 12.9 27.8 83 90 A A T 3<5S- 0 0 32 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.566 128.1 -96.8 -75.6 -10.4 17.9 10.6 27.7 84 91 A G T < 5 + 0 0 28 -3,-1.3 -24,-0.2 -4,-0.3 -3,-0.2 0.521 65.7 155.5 111.0 6.2 19.8 13.0 25.4 85 92 A A < - 0 0 0 -5,-1.5 -1,-0.3 1,-0.1 -24,-0.1 -0.423 34.6-151.6 -65.1 137.8 19.2 11.8 21.8 86 93 A D S S+ 0 0 51 -26,-1.8 26,-1.7 1,-0.2 2,-0.3 0.817 77.3 1.2 -73.7 -32.8 19.6 14.5 19.2 87 94 A A E -de 61 112A 0 -27,-1.3 -25,-3.1 24,-0.2 2,-0.3 -0.957 61.7-147.3-152.6 162.6 17.2 12.8 16.8 88 95 A I E -de 62 113A 0 24,-1.8 26,-2.6 -2,-0.3 2,-0.3 -0.989 19.1-126.1-137.9 143.3 14.9 9.8 16.5 89 96 A S E - e 0 114A 3 -27,-2.0 -23,-2.2 -2,-0.3 2,-0.4 -0.725 26.4-168.2 -90.0 145.4 13.9 7.7 13.5 90 97 A V E -de 66 115A 0 24,-2.7 26,-3.0 -2,-0.3 2,-0.3 -0.995 20.1-124.6-136.8 132.5 10.2 7.2 12.8 91 98 A H E - e 0 116A 3 -25,-2.3 26,-0.1 -2,-0.4 -23,-0.1 -0.576 12.3-159.5 -73.9 140.3 8.4 4.8 10.4 92 99 A G S > S+ 0 0 0 24,-1.4 3,-2.3 -2,-0.3 7,-0.2 0.705 75.5 82.2 -88.1 -22.7 6.1 6.5 7.9 93 100 A F T 3 S+ 0 0 2 1,-0.3 254,-0.6 23,-0.3 253,-0.4 0.775 79.2 65.6 -61.9 -27.7 4.0 3.4 7.1 94 101 A P T 3 S- 0 0 1 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.560 112.7-114.9 -70.5 -2.5 1.7 3.7 10.2 95 102 A G <> - 0 0 0 -3,-2.3 4,-1.7 1,-0.2 3,-0.2 -0.231 33.0 -53.6 102.1 176.7 0.4 7.0 8.7 96 103 A A H > S+ 0 0 18 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.817 122.8 54.8 -67.4 -37.3 0.4 10.8 9.2 97 104 A D H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 109.8 49.4 -64.7 -39.1 -1.1 11.0 12.7 98 105 A S H > S+ 0 0 0 -4,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.909 113.9 44.9 -65.7 -39.3 1.7 8.7 14.0 99 106 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 3,-0.4 0.945 111.1 53.4 -69.5 -46.5 4.4 10.8 12.3 100 107 A R H X S+ 0 0 112 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.854 102.4 58.9 -57.1 -36.5 2.8 14.1 13.5 101 108 A A H X S+ 0 0 4 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.929 108.9 44.6 -59.8 -42.2 2.9 12.9 17.1 102 109 A C H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.4 -2,-0.2 0.922 112.2 51.4 -68.0 -43.5 6.6 12.4 16.9 103 110 A L H X S+ 0 0 19 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.894 106.6 55.1 -59.7 -40.1 7.1 15.7 15.1 104 111 A N H X S+ 0 0 71 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.919 110.8 43.9 -62.8 -42.4 5.1 17.5 17.8 105 112 A V H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.923 112.8 51.8 -66.8 -42.5 7.3 16.1 20.6 106 113 A A H X>S+ 0 0 3 -4,-2.6 5,-2.6 1,-0.2 4,-0.8 0.897 110.9 48.7 -62.0 -37.3 10.5 16.9 18.6 107 114 A E H ><5S+ 0 0 137 -4,-2.6 3,-0.6 2,-0.2 -1,-0.2 0.935 112.5 47.8 -66.2 -46.1 9.3 20.5 18.1 108 115 A E H 3<5S+ 0 0 131 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.886 118.7 40.3 -59.9 -40.8 8.5 20.9 21.8 109 116 A M H 3<5S- 0 0 56 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.439 109.8-116.0 -95.4 0.2 11.8 19.4 22.9 110 117 A G T <<5S+ 0 0 63 -4,-0.8 -3,-0.2 -3,-0.6 2,-0.2 0.864 74.9 116.2 69.0 37.1 14.0 21.1 20.3 111 118 A R < - 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