==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-APR-09 2WF6 . COMPND 2 MOLECULE: BETA-PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR M.W.BOWLER,N.J.BAXTER,C.E.WEBSTER,S.POLLARD,T.ALIZADEH, . 218 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 11.0 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 . 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 . 8 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 0 0 1 0 2 2 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 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 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 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 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 M 0 0 105 0, 0.0 212,-0.1 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 148.6 8.9 22.5 14.7 2 2 A F - 0 0 3 1,-0.1 163,-0.2 210,-0.1 3,-0.1 -0.301 360.0-162.9 -59.3 147.6 10.2 18.9 14.9 3 3 A K + 0 0 134 161,-3.0 106,-2.3 1,-0.2 2,-0.3 0.449 65.2 29.5-116.2 -7.4 13.9 18.6 14.2 4 4 A A E -ab 109 165A 0 160,-1.0 162,-1.9 104,-0.2 2,-0.4 -0.991 56.3-149.8-150.9 150.3 14.3 14.8 13.4 5 5 A V E -ab 110 166A 0 104,-2.2 106,-2.2 -2,-0.3 2,-0.6 -0.997 15.8-154.3-119.9 129.1 12.4 12.0 11.9 6 6 A L E -ab 111 167A 0 160,-3.1 162,-2.2 -2,-0.4 2,-0.5 -0.920 16.1-153.2-108.3 110.1 13.3 8.5 13.3 7 7 A F E -ab 112 168A 0 104,-2.7 106,-2.9 -2,-0.6 2,-0.1 -0.761 13.6-153.3 -95.8 123.8 12.5 5.7 10.7 8 8 A D - 0 0 5 160,-2.0 106,-0.2 -2,-0.5 5,-0.1 -0.452 18.1-152.8 -64.8 158.5 11.7 2.1 11.3 9 9 A L >>> + 0 0 0 3,-0.2 4,-2.3 -2,-0.1 3,-2.2 0.824 66.4 69.7-101.1 -65.4 12.7 0.1 8.2 10 10 A D B 345S+f 14 0B 22 1,-0.3 160,-0.3 2,-0.2 5,-0.2 -0.396 119.5 2.7 -71.1 122.2 10.7 -3.1 7.7 11 11 A G T 345S+ 0 0 6 3,-2.5 -1,-0.3 -2,-0.2 4,-0.2 0.477 131.8 59.3 82.4 2.9 7.1 -2.2 6.6 12 12 A V T <45S+ 0 0 0 -3,-2.2 -2,-0.2 2,-0.4 -3,-0.2 0.615 115.0 24.4-122.4 -52.8 7.9 1.6 6.6 13 13 A I T <5S- 0 0 0 -4,-2.3 80,-2.7 1,-0.3 2,-0.3 0.829 137.0 -10.3 -83.6 -33.6 10.7 2.1 4.0 14 14 A T B > > S+ 0 0 74 76,-0.5 3,-0.8 -2,-0.3 4,-0.7 -0.026 78.7 119.7 -82.8 32.0 7.8 -4.3 2.1 16 16 A T H 3> + 0 0 1 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.621 59.3 74.8 -77.0 -13.3 10.4 -6.4 4.1 17 17 A A H <> S+ 0 0 16 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.905 96.3 52.4 -58.4 -38.4 7.9 -7.0 7.0 18 18 A E H <> S+ 0 0 30 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.894 108.5 49.7 -60.5 -41.9 6.3 -9.4 4.5 19 19 A Y H X S+ 0 0 64 -4,-0.7 4,-2.5 2,-0.2 5,-0.2 0.902 109.8 49.8 -65.2 -45.8 9.7 -11.2 3.9 20 20 A H H X S+ 0 0 32 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.927 111.2 50.5 -59.9 -43.4 10.3 -11.5 7.7 21 21 A F H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.945 111.6 46.6 -59.0 -50.3 6.8 -13.0 8.1 22 22 A R H X S+ 0 0 149 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.892 114.8 47.4 -62.7 -38.9 7.3 -15.6 5.3 23 23 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.916 113.5 46.0 -69.6 -44.3 10.7 -16.6 6.6 24 24 A W H X S+ 0 0 8 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.881 112.2 51.8 -66.6 -37.7 9.6 -16.9 10.3 25 25 A K H X S+ 0 0 63 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.930 109.3 49.8 -65.7 -45.0 6.5 -18.9 9.2 26 26 A A H X S+ 0 0 42 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.896 113.3 47.1 -57.3 -42.9 8.7 -21.3 7.1 27 27 A L H X S+ 0 0 4 -4,-2.1 4,-1.3 2,-0.2 3,-0.2 0.951 110.4 51.4 -65.6 -49.5 11.1 -21.8 10.1 28 28 A A H ><>S+ 0 0 1 -4,-2.8 5,-2.4 1,-0.2 3,-0.6 0.919 111.1 48.2 -53.4 -47.2 8.2 -22.4 12.6 29 29 A E H ><5S+ 0 0 97 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.830 102.3 62.0 -68.1 -30.9 6.7 -25.0 10.3 30 30 A E H 3<5S+ 0 0 124 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.851 109.4 43.6 -61.4 -32.2 10.0 -26.8 9.9 31 31 A I T <<5S- 0 0 20 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.247 126.0-102.3 -99.1 12.9 10.0 -27.4 13.6 32 32 A G T < 5S+ 0 0 58 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.721 79.4 129.5 79.2 24.5 6.3 -28.4 13.7 33 33 A I < + 0 0 9 -5,-2.4 3,-0.3 -6,-0.2 -1,-0.2 -0.953 26.5 174.8-110.7 117.1 4.7 -25.2 15.0 34 34 A N + 0 0 114 -2,-0.5 -1,-0.1 1,-0.2 -5,-0.1 0.348 51.8 94.1-108.4 8.4 1.8 -24.0 12.9 35 35 A G + 0 0 32 21,-0.1 2,-1.7 1,-0.1 5,-0.2 0.451 50.9 106.5 -81.5 -2.2 0.5 -21.0 14.8 36 36 A V + 0 0 1 -3,-0.3 2,-0.2 -11,-0.1 -1,-0.1 -0.585 45.8 142.7 -82.9 81.4 2.5 -18.3 12.9 37 37 A D > - 0 0 72 -2,-1.7 4,-2.6 1,-0.0 -2,-0.0 -0.486 69.5 -86.0-105.5-177.3 -0.3 -16.7 10.8 38 38 A R H > S+ 0 0 143 1,-0.2 4,-0.8 2,-0.2 -2,-0.0 0.903 127.9 51.6 -62.8 -38.4 -0.8 -13.0 9.9 39 39 A Q H >4 S+ 0 0 165 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.955 113.1 43.9 -62.6 -48.8 -2.7 -12.3 13.1 40 40 A F H >4 S+ 0 0 19 1,-0.2 3,-2.2 -5,-0.2 4,-0.4 0.893 103.6 67.5 -60.5 -38.0 0.0 -13.9 15.3 41 41 A N H >X S+ 0 0 10 -4,-2.6 4,-1.5 1,-0.3 3,-1.3 0.716 82.0 73.7 -60.3 -20.5 2.7 -12.1 13.2 42 42 A E T << S+ 0 0 21 -3,-1.1 130,-0.5 -4,-0.8 131,-0.4 0.835 95.3 53.7 -60.9 -29.1 1.5 -8.7 14.6 43 43 A Q T <4 S+ 0 0 105 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.619 108.3 50.0 -75.9 -15.0 3.2 -9.8 17.8 44 44 A L T X4 S+ 0 0 7 -3,-1.3 3,-1.6 -4,-0.4 -2,-0.2 0.679 82.5 104.9 -95.7 -24.3 6.4 -10.4 15.9 45 45 A K T 3< S+ 0 0 53 -4,-1.5 128,-0.6 1,-0.2 129,-0.2 -0.363 92.5 11.1 -60.6 135.5 6.7 -7.1 14.0 46 46 A G T 3 S+ 0 0 19 1,-0.2 99,-0.3 127,-0.1 -1,-0.2 0.173 99.8 120.9 85.6 -16.4 9.3 -4.9 15.6 47 47 A V < - 0 0 18 -3,-1.6 -1,-0.2 1,-0.1 5,-0.1 -0.571 67.1-104.3 -88.1 143.1 10.8 -7.6 17.8 48 48 A S > - 0 0 22 97,-0.4 4,-2.5 -2,-0.2 5,-0.2 -0.002 33.4-101.8 -59.9 168.8 14.4 -8.7 17.5 49 49 A R H > S+ 0 0 61 66,-0.2 4,-2.1 1,-0.2 5,-0.2 0.941 121.7 39.9 -60.0 -50.5 15.6 -11.9 15.8 50 50 A E H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.901 115.5 51.4 -68.9 -40.9 16.1 -13.9 19.0 51 51 A D H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.866 108.4 53.4 -63.8 -34.4 13.0 -12.5 20.7 52 52 A S H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.932 109.0 47.7 -65.6 -47.2 11.0 -13.5 17.6 53 53 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.930 111.5 51.4 -60.3 -42.4 12.2 -17.1 17.8 54 54 A Q H X S+ 0 0 74 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.918 107.7 51.7 -62.7 -42.4 11.4 -17.2 21.5 55 55 A K H X S+ 0 0 87 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.897 111.0 48.8 -59.2 -39.0 7.9 -15.9 21.0 56 56 A I H X S+ 0 0 1 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.920 112.9 46.5 -66.8 -45.9 7.4 -18.7 18.3 57 57 A L H <>S+ 0 0 2 -4,-2.6 5,-2.7 1,-0.2 3,-0.4 0.921 113.1 50.5 -59.9 -44.1 8.7 -21.4 20.7 58 58 A D H ><5S+ 0 0 99 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.843 100.3 63.0 -66.1 -36.8 6.6 -20.0 23.6 59 59 A L H 3<5S+ 0 0 78 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.903 114.5 34.1 -49.2 -43.2 3.5 -20.1 21.4 60 60 A A T 3<5S- 0 0 32 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.201 109.3-121.0 -99.6 13.6 3.9 -23.9 21.2 61 61 A D T < 5 + 0 0 146 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.838 61.6 156.6 40.8 44.3 5.3 -24.3 24.7 62 62 A K < - 0 0 78 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.773 31.4-161.8-101.5 138.2 8.4 -25.8 23.1 63 63 A K + 0 0 202 -2,-0.4 2,-0.3 -3,-0.1 0, 0.0 -0.938 11.4 178.3-114.8 140.4 11.9 -26.0 24.5 64 64 A V - 0 0 36 -2,-0.4 -7,-0.0 1,-0.0 2,-0.0 -0.890 36.2 -88.6-131.0 163.3 15.0 -26.6 22.4 65 65 A S > - 0 0 62 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.300 35.9-113.7 -67.0 158.9 18.7 -26.8 23.3 66 66 A A H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.889 120.8 52.7 -58.6 -39.1 20.9 -23.7 23.3 67 67 A E H > S+ 0 0 165 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 110.7 46.1 -62.2 -45.3 22.7 -25.2 20.3 68 68 A E H > S+ 0 0 78 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.879 109.4 55.3 -66.7 -36.9 19.5 -25.7 18.4 69 69 A F H X S+ 0 0 45 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.951 109.5 46.5 -61.7 -48.8 18.2 -22.2 19.3 70 70 A K H X S+ 0 0 151 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.904 113.0 49.6 -58.4 -43.7 21.3 -20.7 17.8 71 71 A E H X S+ 0 0 83 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.893 109.9 51.2 -64.1 -41.4 21.1 -22.8 14.6 72 72 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.909 109.8 48.5 -64.0 -45.0 17.4 -22.0 14.1 73 73 A A H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.911 114.5 46.8 -61.3 -42.8 18.0 -18.2 14.3 74 74 A K H X S+ 0 0 115 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.906 109.9 53.6 -63.2 -41.8 20.9 -18.5 11.9 75 75 A R H X S+ 0 0 80 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.929 110.3 46.7 -61.3 -45.7 18.8 -20.7 9.5 76 76 A K H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.916 113.7 48.4 -63.1 -44.3 16.0 -18.1 9.4 77 77 A N H X S+ 0 0 26 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.910 108.9 52.4 -63.4 -43.8 18.5 -15.3 8.8 78 78 A D H X S+ 0 0 73 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.909 112.7 46.0 -57.9 -41.1 20.3 -17.1 6.0 79 79 A N H X S+ 0 0 68 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.944 113.7 48.4 -64.8 -48.5 16.9 -17.7 4.3 80 80 A Y H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.912 109.3 53.1 -60.5 -42.1 15.9 -14.0 4.8 81 81 A V H < S+ 0 0 39 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.895 109.1 48.8 -64.3 -39.3 19.2 -12.8 3.5 82 82 A K H >< S+ 0 0 173 -4,-1.8 3,-1.2 -5,-0.2 4,-0.3 0.933 108.4 56.2 -60.8 -43.2 18.8 -14.9 0.3 83 83 A M H >< S+ 0 0 64 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.863 108.1 46.6 -56.6 -39.9 15.2 -13.5 -0.1 84 84 A I G >< S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.432 78.2 100.1 -90.7 3.2 16.4 -9.8 -0.1 85 85 A Q G < S+ 0 0 91 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.852 85.5 48.0 -59.5 -34.4 19.3 -10.0 -2.5 86 86 A D G < S+ 0 0 150 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.400 78.5 128.1 -90.7 5.6 17.1 -8.6 -5.4 87 87 A V < + 0 0 1 -3,-1.7 -3,-0.0 3,-0.1 -4,-0.0 -0.315 36.1 169.3 -55.7 138.2 15.7 -5.7 -3.4 88 88 A S > - 0 0 34 38,-0.1 3,-2.0 39,-0.0 4,-0.3 -0.857 53.0 -82.6-143.1 177.8 16.3 -2.5 -5.4 89 89 A P G > S+ 0 0 63 0, 0.0 3,-1.6 0, 0.0 37,-0.1 0.817 121.8 68.4 -57.6 -26.1 15.3 1.2 -5.5 90 90 A A G 3 S+ 0 0 90 1,-0.3 36,-0.1 0, 0.0 -3,-0.1 0.687 92.8 60.4 -65.4 -17.3 12.1 0.2 -7.3 91 91 A D G < S+ 0 0 62 -3,-2.0 -76,-0.5 2,-0.1 -1,-0.3 0.484 73.1 118.6 -91.7 -3.8 11.0 -1.5 -4.0 92 92 A V S < S- 0 0 26 -3,-1.6 -78,-0.2 -4,-0.3 3,-0.1 -0.425 73.9-108.1 -61.7 135.2 11.1 1.7 -2.0 93 93 A Y >> - 0 0 62 -80,-2.7 3,-1.5 1,-0.1 4,-0.6 -0.262 43.1 -80.8 -65.1 153.7 7.6 2.4 -0.7 94 94 A P T 34 S+ 0 0 81 0, 0.0 113,-0.2 0, 0.0 -1,-0.1 -0.222 113.1 10.8 -54.2 138.5 5.4 5.2 -2.1 95 95 A G T 3> S+ 0 0 31 -3,-0.1 4,-2.1 110,-0.1 5,-0.2 0.070 100.3 100.0 85.6 -24.9 6.2 8.6 -0.7 96 96 A I H <> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.2 5,-0.2 0.924 79.4 46.3 -70.6 -47.0 9.4 7.6 1.1 97 97 A L H X S+ 0 0 67 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.933 116.3 46.8 -59.6 -46.0 12.1 8.8 -1.3 98 98 A Q H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.868 109.5 54.2 -64.7 -38.7 10.4 12.2 -1.7 99 99 A L H X S+ 0 0 2 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.933 108.1 49.8 -57.7 -48.9 9.9 12.5 2.1 100 100 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.933 112.6 46.9 -58.2 -46.5 13.7 12.0 2.6 101 101 A K H X S+ 0 0 82 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.918 113.6 48.2 -58.5 -44.9 14.5 14.7 -0.1 102 102 A D H X S+ 0 0 55 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.900 109.7 52.2 -68.9 -39.8 12.0 17.1 1.4 103 103 A L H <>S+ 0 0 0 -4,-3.0 5,-2.6 2,-0.2 3,-0.3 0.939 110.2 48.5 -60.6 -45.2 13.3 16.6 5.0 104 104 A R H ><5S+ 0 0 104 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.912 108.1 54.1 -61.9 -41.5 16.9 17.3 3.9 105 105 A S H 3<5S+ 0 0 98 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.820 111.1 47.2 -59.7 -32.1 15.8 20.5 2.0 106 106 A N T 3<5S- 0 0 84 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.249 115.8-115.5 -96.5 12.5 14.2 21.7 5.3 107 107 A K T < 5 + 0 0 195 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.817 63.7 149.4 59.4 34.6 17.3 20.8 7.4 108 108 A I < - 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0 0 60 -2,-1.8 4,-2.3 1,-0.1 5,-0.2 -0.827 63.4-119.3-106.5 154.0 4.5 13.7 3.3 209 209 A L H > S+ 0 0 10 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.900 117.1 58.6 -55.5 -40.0 6.4 16.6 5.0 210 210 A E H > S+ 0 0 142 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 108.5 43.9 -55.6 -45.6 3.1 18.5 4.7 211 211 A F H > S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.893 109.6 54.4 -71.6 -41.2 1.3 15.9 6.8 212 212 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.906 112.1 45.9 -55.1 -42.4 4.0 15.5 9.4 213 213 A K H X S+ 0 0 67 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.908 110.2 54.0 -64.5 -44.8 3.8 19.3 9.8 214 214 A E H X S+ 0 0 128 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.914 113.3 42.8 -53.9 -46.7 -0.1 19.0 10.0 215 215 A V H < S+ 0 0 15 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.935 113.4 50.8 -69.1 -45.7 0.2 16.4 12.8 216 216 A W H < S+ 0 0 51 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.889 113.1 45.3 -59.0 -41.4 3.0 18.3 14.7 217 217 A L H < 0 0 117 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.884 360.0 360.0 -74.5 -39.7 1.0 21.6 14.7 218 218 A Q < 0 0 193 -4,-2.0 -1,-0.1 -5,-0.3 -2,-0.0 -0.805 360.0 360.0 131.6 360.0 -2.2 19.7 15.7