==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JAN-08 2VL1 . COMPND 2 MOLECULE: BETA-ALANINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES KLUYVERI; . AUTHOR B.ANDERSEN,S.LUNDGREN,D.DOBRITZSCH,J.PISKUR, . 1744 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1229 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 236 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 99 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 518 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.6 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 8 4 4 0 4 0 0 0 7 0 1 4 3 1 6 2 0 0 0 0 0 0 0 0 4 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 0 4 8 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 . 8 12 8 8 4 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 4 0 0 0 4 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 27 A P 0 0 179 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.6 43.3 52.1 40.6 2 28 A L - 0 0 45 117,-0.0 2,-0.4 2,-0.0 112,-0.1 -0.987 360.0-128.4-128.2 143.2 44.2 49.1 42.9 3 29 A S - 0 0 81 -2,-0.3 2,-0.4 110,-0.2 113,-0.1 -0.761 20.5-154.0 -92.0 136.0 47.2 46.9 42.7 4 30 A I - 0 0 46 -2,-0.4 2,-0.9 112,-0.0 105,-0.0 -0.839 22.8-117.7-106.5 143.7 46.7 43.1 42.7 5 31 A A > - 0 0 39 -2,-0.4 3,-1.5 1,-0.0 4,-0.4 -0.744 43.5-125.3 -77.7 106.7 49.2 40.5 43.9 6 32 A S T 3 S+ 0 0 99 -2,-0.9 -1,-0.0 1,-0.3 -3,-0.0 -0.303 82.2 1.2 -67.4 128.9 49.7 38.7 40.6 7 33 A G T 3> S+ 0 0 31 396,-0.1 4,-2.4 -2,-0.1 -1,-0.3 0.284 94.5 115.7 84.7 -9.4 49.1 34.9 40.7 8 34 A R H <> S+ 0 0 67 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.891 72.6 51.6 -64.4 -43.2 48.1 34.8 44.4 9 35 A L H > S+ 0 0 9 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.915 113.0 45.9 -58.5 -45.1 44.5 33.7 43.8 10 36 A N H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.907 112.3 50.8 -63.5 -45.3 45.6 30.8 41.6 11 37 A Q H X S+ 0 0 82 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.896 110.5 50.2 -58.0 -41.7 48.3 29.9 44.1 12 38 A T H X S+ 0 0 14 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.866 107.9 52.6 -67.0 -39.9 45.7 29.9 46.9 13 39 A I H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.919 115.5 41.3 -58.2 -44.7 43.4 27.6 45.0 14 40 A L H X S+ 0 0 10 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.857 116.0 47.7 -76.7 -37.8 46.2 25.1 44.4 15 41 A E H X S+ 0 0 116 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.886 115.6 43.2 -72.1 -41.7 47.6 25.3 48.0 16 42 A T H X S+ 0 0 4 -4,-2.4 4,-2.7 -5,-0.2 6,-0.2 0.891 113.6 53.5 -69.6 -38.8 44.3 25.0 49.8 17 43 A G H <>S+ 0 0 2 -4,-1.8 5,-0.7 -5,-0.3 -2,-0.2 0.913 110.6 46.1 -57.0 -48.6 43.2 22.2 47.4 18 44 A S H <5S+ 0 0 63 -4,-1.9 3,-0.4 1,-0.2 4,-0.4 0.867 118.1 43.3 -60.5 -41.7 46.3 20.2 48.1 19 45 A Q H <5S+ 0 0 137 -4,-1.6 2,-0.5 1,-0.2 -2,-0.2 0.853 118.6 41.2 -72.8 -39.7 46.0 20.7 51.8 20 46 A F T <5S- 0 0 33 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.638 136.3 -23.2-123.6 72.4 42.3 20.1 52.2 21 47 A G T 5S+ 0 0 7 -2,-0.5 15,-2.1 -3,-0.4 -3,-0.2 0.482 76.7 158.0 111.4 6.7 41.1 17.2 50.0 22 48 A G E < +A 35 0A 29 -5,-0.7 -1,-0.3 -4,-0.4 2,-0.3 -0.426 17.4 160.6 -64.9 130.0 43.6 16.8 47.2 23 49 A V E +A 34 0A 52 11,-2.6 11,-2.6 -2,-0.2 -1,-0.0 -0.872 39.4 32.9-140.7 171.6 43.6 13.3 45.7 24 50 A A - 0 0 52 -2,-0.3 -1,-0.1 9,-0.2 2,-0.1 0.793 65.5-161.4 49.8 44.4 44.6 11.2 42.6 25 51 A R - 0 0 121 8,-0.2 8,-0.3 1,-0.1 -1,-0.2 -0.371 13.1-177.1 -56.2 126.3 47.8 13.2 41.7 26 52 A W + 0 0 82 6,-2.5 2,-0.3 1,-0.2 7,-0.2 0.332 61.3 4.7-111.8 3.1 48.6 12.3 38.1 27 53 A G S S- 0 0 24 5,-1.0 -1,-0.2 2,-0.2 5,-0.1 -0.982 73.0 -96.8-174.4 172.8 51.8 14.4 37.9 28 54 A Q S S+ 0 0 183 -2,-0.3 -1,-0.1 -3,-0.1 5,-0.0 0.748 82.1 98.9 -72.7 -32.8 54.6 16.5 39.5 29 55 A E S > S- 0 0 119 1,-0.1 3,-1.5 2,-0.1 -2,-0.2 -0.212 86.6-109.1 -63.3 155.7 53.4 20.1 38.6 30 56 A S T 3 S+ 0 0 71 1,-0.3 -1,-0.1 2,-0.1 -12,-0.1 0.667 114.7 46.2 -64.7 -16.2 51.4 21.9 41.3 31 57 A H T 3 S+ 0 0 58 1,-0.1 2,-1.7 -13,-0.0 -1,-0.3 0.501 80.2 102.8-102.2 -2.4 48.1 21.7 39.5 32 58 A E < + 0 0 45 -3,-1.5 -6,-2.5 -5,-0.1 -5,-1.0 -0.264 64.5 81.0 -87.8 53.8 48.1 18.0 38.5 33 59 A F - 0 0 4 -2,-1.7 64,-0.2 -8,-0.3 -9,-0.2 -0.968 63.5-135.5-147.8 158.9 45.7 16.6 41.2 34 60 A G E -A 23 0A 0 -11,-2.6 -11,-2.6 -2,-0.3 2,-0.3 -0.423 23.1-109.0-107.9-173.6 41.9 16.3 41.7 35 61 A M E +AB 22 95A 0 60,-3.3 60,-2.5 -13,-0.2 -13,-0.2 -0.903 24.8 175.2-125.4 146.4 39.6 16.9 44.7 36 62 A R + 0 0 115 -15,-2.1 2,-0.3 -2,-0.3 7,-0.1 -0.713 28.5 141.7-141.7 92.8 37.5 15.1 47.2 37 63 A R - 0 0 0 55,-0.5 54,-2.5 -2,-0.2 3,-0.1 -0.698 31.2-166.5-131.5 80.5 36.1 17.5 49.8 38 64 A L > - 0 0 14 -2,-0.3 3,-1.5 52,-0.2 6,-0.5 -0.353 30.3 -91.8 -75.7 148.1 32.5 16.4 50.6 39 65 A A T 3 S+ 0 0 1 52,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.280 106.4 11.4 -60.5 135.1 30.0 18.6 52.4 40 66 A G T 3 S+ 0 0 4 1,-0.2 -1,-0.2 -3,-0.1 138,-0.1 0.481 99.1 124.3 77.5 5.2 29.8 18.2 56.2 41 67 A T S <> S- 0 0 35 -3,-1.5 4,-2.7 1,-0.1 -1,-0.2 -0.419 80.4 -99.9 -91.6 168.5 33.0 16.1 56.4 42 68 A A H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.843 126.0 52.2 -52.8 -36.6 36.2 16.6 58.5 43 69 A L H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.850 107.1 50.1 -69.5 -41.0 37.8 18.0 55.3 44 70 A D H > S+ 0 0 2 -6,-0.5 4,-2.2 -3,-0.2 -2,-0.2 0.947 113.4 48.6 -58.1 -49.0 35.0 20.5 54.7 45 71 A G H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.911 109.5 51.1 -56.9 -48.4 35.5 21.5 58.4 46 72 A A H X S+ 0 0 34 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.873 111.7 46.5 -58.4 -44.2 39.3 21.8 58.0 47 73 A M H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.896 112.4 51.3 -65.1 -41.3 39.0 24.1 55.0 48 74 A R H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.855 108.3 51.9 -62.3 -39.4 36.3 26.2 56.7 49 75 A D H X S+ 0 0 77 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.886 110.0 49.0 -63.1 -43.7 38.6 26.5 59.8 50 76 A W H X S+ 0 0 60 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.920 112.7 47.7 -59.6 -46.7 41.4 27.8 57.5 51 77 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.847 108.1 54.7 -65.5 -40.7 39.1 30.3 55.8 52 78 A T H X S+ 0 0 20 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.932 111.2 45.4 -58.0 -47.0 37.7 31.6 59.1 53 79 A N H X S+ 0 0 101 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.823 111.0 52.1 -72.4 -30.7 41.2 32.3 60.3 54 80 A E H < S+ 0 0 53 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.873 113.1 45.6 -65.7 -41.1 42.2 34.0 57.0 55 81 A C H ><>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 3,-1.1 0.900 110.5 51.2 -71.3 -44.3 39.2 36.2 57.1 56 82 A E H ><5S+ 0 0 99 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.783 103.1 61.6 -63.6 -28.0 39.6 37.2 60.8 57 83 A S T 3<5S+ 0 0 72 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.710 103.6 50.1 -70.0 -19.3 43.2 38.1 60.1 58 84 A L T < 5S- 0 0 23 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.479 129.4 -95.3 -96.3 -5.4 41.9 40.8 57.6 59 85 A G T < 5S+ 0 0 41 -3,-0.8 -3,-0.2 -4,-0.3 2,-0.2 0.606 74.2 148.7 99.1 16.5 39.5 42.2 60.2 60 86 A C < - 0 0 12 -5,-2.0 2,-0.6 14,-0.1 -1,-0.3 -0.480 46.6-134.9 -77.6 148.1 36.4 40.3 59.3 61 87 A K E -C 73 0B 144 12,-1.9 12,-3.0 -2,-0.2 2,-0.8 -0.949 24.9-149.6 -92.7 124.2 33.5 39.2 61.6 62 88 A V E -C 72 0B 25 -2,-0.6 2,-0.4 10,-0.2 10,-0.2 -0.859 13.6-169.5-104.0 104.4 32.8 35.6 60.6 63 89 A K E -C 71 0B 59 8,-3.0 8,-3.4 -2,-0.8 2,-0.4 -0.756 4.1-164.8 -93.3 137.9 29.1 34.7 61.1 64 90 A V E -C 70 0B 30 -2,-0.4 120,-1.4 6,-0.2 119,-0.3 -0.986 11.6-150.5-119.7 130.0 28.0 31.0 60.9 65 91 A D B > -k 184 0C 0 4,-2.5 117,-2.3 -2,-0.4 3,-1.9 -0.373 34.0 -89.3 -96.1 179.0 24.2 30.3 60.5 66 92 A K T 3 S+ 0 0 79 118,-1.5 114,-0.1 1,-0.3 -1,-0.0 0.664 126.4 46.0 -61.8 -21.5 22.1 27.3 61.6 67 93 A I T 3 S- 0 0 0 77,-0.1 -1,-0.3 114,-0.1 114,-0.1 0.215 124.1 -98.9-105.5 11.7 22.7 25.4 58.4 68 94 A G < + 0 0 0 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.610 69.8 149.7 81.7 12.2 26.4 26.1 58.3 69 95 A N - 0 0 0 75,-0.1 -4,-2.5 61,-0.1 2,-0.4 -0.588 35.3-146.7 -67.6 137.2 26.5 29.0 55.8 70 96 A M E -CD 64 129B 0 59,-2.6 59,-2.3 -2,-0.3 2,-0.5 -0.930 13.1-167.7-113.7 136.5 29.5 31.3 56.7 71 97 A F E -CD 63 128B 2 -8,-3.4 -8,-3.0 -2,-0.4 2,-0.9 -0.947 2.9-165.8-125.4 105.2 29.4 35.1 56.2 72 98 A A E -CD 62 127B 0 55,-3.0 55,-2.1 -2,-0.5 2,-0.6 -0.826 15.3-159.2 -94.7 104.3 32.8 36.8 56.4 73 99 A V E -CD 61 126B 23 -12,-3.0 -12,-1.9 -2,-0.9 53,-0.2 -0.765 6.3-161.3 -99.6 115.4 31.9 40.5 56.8 74 100 A Y E - D 0 125B 21 51,-3.5 51,-2.2 -2,-0.6 -14,-0.1 -0.826 29.7-109.4 -97.7 123.4 34.5 43.2 55.9 75 101 A P - 0 0 70 0, 0.0 2,-0.2 0, 0.0 48,-0.1 -0.286 34.6-171.1 -60.3 125.6 33.9 46.7 57.4 76 102 A G - 0 0 15 44,-0.1 46,-0.3 4,-0.1 48,-0.2 -0.508 38.6 -98.3-101.9 179.4 33.0 49.6 55.1 77 103 A K S S+ 0 0 156 44,-2.6 46,-0.2 1,-0.2 45,-0.2 0.914 119.4 24.0 -62.5 -44.8 32.7 53.3 55.8 78 104 A N S S- 0 0 92 44,-2.6 2,-0.5 1,-0.3 -1,-0.2 0.352 90.7-149.1-108.1 -0.1 28.9 53.3 56.3 79 105 A G + 0 0 18 43,-0.1 45,-2.3 1,-0.1 -1,-0.3 -0.528 39.4 136.5 69.0-117.9 28.1 49.7 57.3 80 106 A G - 0 0 53 -2,-0.5 44,-0.2 43,-0.2 -4,-0.1 0.085 69.8 -23.0 65.5-179.8 24.6 48.7 56.1 81 107 A K S S- 0 0 91 112,-0.1 112,-0.2 1,-0.1 2,-0.1 -0.416 83.1-110.8 -56.3 132.9 23.7 45.3 54.5 82 108 A P - 0 0 16 0, 0.0 112,-3.4 0, 0.0 113,-0.7 -0.359 13.8-120.3 -72.3 145.7 26.8 43.9 52.9 83 109 A T E -ef 125 195B 1 41,-2.7 43,-2.9 111,-0.2 2,-0.3 -0.783 44.5-144.0 -74.2 121.7 27.5 43.5 49.2 84 110 A A E +ef 126 196B 0 111,-2.5 113,-2.4 -2,-0.6 2,-0.4 -0.717 28.1 178.1 -98.4 140.4 27.9 39.8 49.1 85 111 A T E +ef 127 197B 0 41,-2.6 43,-2.4 -2,-0.3 2,-0.3 -0.991 29.3 135.1-130.6 138.0 30.2 37.7 46.9 86 112 A G E +e 128 0B 0 111,-1.6 2,-0.2 -2,-0.4 43,-0.2 -0.992 24.5 162.6-170.4 173.8 30.2 34.0 47.4 87 113 A S E -e 129 0B 0 41,-2.0 43,-2.5 -2,-0.3 2,-0.3 -0.798 45.9 -67.4-173.6-151.2 30.1 30.3 46.3 88 114 A H - 0 0 0 -2,-0.2 16,-0.3 41,-0.2 15,-0.1 -0.908 12.1-159.2-129.5 153.8 30.9 27.0 47.9 89 115 A L + 0 0 1 41,-0.3 12,-0.1 -2,-0.3 2,-0.1 0.580 68.2 96.7-102.6 -13.8 33.9 25.1 49.3 90 116 A D - 0 0 2 40,-0.3 -52,-0.2 10,-0.1 2,-0.2 -0.413 56.1-164.6 -78.1 153.7 32.3 21.6 49.0 91 117 A T - 0 0 5 -54,-2.5 -52,-0.4 1,-0.1 45,-0.2 -0.683 24.0 -88.0-128.7 176.9 33.0 19.3 46.0 92 118 A Q - 0 0 1 -2,-0.2 -55,-0.5 4,-0.1 3,-0.3 -0.333 50.1-100.2 -75.2 168.2 31.8 16.1 44.2 93 119 A P S S+ 0 0 14 0, 0.0 2,-0.4 0, 0.0 -55,-0.1 0.846 123.4 24.1 -61.3 -37.4 33.2 12.7 45.2 94 120 A E S S+ 0 0 76 301,-0.1 2,-0.3 -58,-0.1 -58,-0.2 -0.934 101.8 156.6-126.3 105.0 35.6 12.9 42.2 95 121 A A B -B 35 0A 5 -60,-2.5 -60,-3.3 -2,-0.4 2,-0.1 -0.819 41.2-108.9-134.4 164.2 36.0 16.6 41.5 96 122 A G - 0 0 2 -2,-0.3 -4,-0.1 -62,-0.2 301,-0.1 -0.385 31.0-118.0 -85.0 170.7 38.0 19.4 40.1 97 123 A K S S+ 0 0 3 302,-0.4 -80,-0.1 300,-0.3 303,-0.1 0.536 103.3 49.0 -83.0 -9.9 39.9 22.1 42.0 98 124 A Y S > S+ 0 0 1 3,-0.1 4,-2.2 2,-0.1 5,-0.3 0.749 71.4 106.2-113.0 -30.5 37.9 25.1 40.6 99 125 A D T 4 S- 0 0 9 1,-0.2 2,-1.8 2,-0.2 101,-0.1 -0.386 108.5 -17.5 -59.0 121.4 34.2 24.5 40.9 100 126 A G T > S+ 0 0 1 -2,-0.2 4,-1.5 1,-0.2 3,-0.3 -0.196 127.6 79.7 76.2 -45.5 32.9 26.7 43.7 101 127 A I H > S+ 0 0 1 -2,-1.8 4,-2.3 1,-0.2 5,-0.3 0.843 84.6 59.8 -63.5 -38.2 36.3 27.1 45.2 102 128 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.910 105.9 48.3 -53.3 -48.9 37.2 29.8 42.6 103 129 A G H > S+ 0 0 0 -5,-0.3 4,-1.7 -3,-0.3 -2,-0.2 0.850 113.7 43.1 -66.7 -40.5 34.4 32.1 43.8 104 130 A V H X S+ 0 0 0 -4,-1.5 4,-2.2 -16,-0.3 -1,-0.2 0.915 117.1 46.3 -74.3 -39.4 35.0 31.9 47.5 105 131 A L H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.806 111.5 52.2 -71.8 -29.8 38.8 32.3 47.2 106 132 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.899 108.2 52.4 -66.4 -43.0 38.2 35.2 44.7 107 133 A G H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.922 110.2 47.8 -53.0 -48.1 36.0 36.8 47.4 108 134 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.912 109.1 54.1 -57.3 -45.1 38.8 36.3 49.9 109 135 A E H X S+ 0 0 3 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.774 102.9 56.5 -65.2 -30.5 41.2 37.9 47.3 110 136 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 -3,-0.2 -1,-0.2 0.917 109.4 46.4 -61.2 -47.1 38.9 40.9 47.0 111 137 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.906 112.6 49.0 -63.9 -44.9 39.2 41.4 50.8 112 138 A R H X S+ 0 0 25 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.876 109.9 53.0 -59.2 -41.6 43.1 41.0 50.7 113 139 A T H X S+ 0 0 1 -4,-2.1 4,-1.2 2,-0.2 6,-0.2 0.873 107.8 51.0 -62.3 -39.7 43.2 43.5 47.8 114 140 A F H <>S+ 0 0 2 -4,-1.9 5,-3.0 2,-0.2 4,-0.4 0.937 113.9 44.4 -61.8 -46.9 41.3 46.0 49.9 115 141 A K H ><5S+ 0 0 92 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.925 111.3 50.9 -66.3 -48.2 43.6 45.6 52.8 116 142 A D H 3<5S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.769 118.2 41.1 -59.8 -28.0 46.9 45.7 50.8 117 143 A N T 3<5S- 0 0 42 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.419 107.6-121.9-100.3 -0.9 45.7 48.9 49.1 118 144 A N T < 5 + 0 0 155 -3,-1.3 2,-0.6 -4,-0.4 -3,-0.2 0.847 57.3 158.7 55.4 37.4 44.2 50.6 52.2 119 145 A Y < - 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