==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-MAY-06 2H1W . COMPND 2 MOLECULE: FERROCHELATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.D.HANSSON,T.KARLBERG,M.ARYS RAHARDJA,S.AL-KARADAGHI, . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 4.5 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 0 2 0 1 0 1 1 1 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 2 A S 0 0 172 0, 0.0 2,-0.4 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 2.1 -10.3 34.5 -33.6 2 3 A R - 0 0 74 75,-0.1 75,-0.3 1,-0.0 74,-0.1 -0.660 360.0-129.1 -87.0 134.8 -9.6 31.5 -31.3 3 4 A K E -a 77 0A 97 73,-2.2 75,-2.8 -2,-0.4 2,-0.4 -0.450 26.9-121.3 -75.8 153.0 -8.5 32.1 -27.7 4 5 A K E +a 78 0A 93 73,-0.2 2,-0.3 -2,-0.1 102,-0.3 -0.813 36.4 169.4-101.9 139.3 -5.4 30.1 -26.7 5 6 A M E -a 79 0A 3 73,-1.9 75,-1.9 -2,-0.4 102,-0.2 -0.959 29.3-130.5-153.3 131.8 -5.5 27.7 -23.8 6 7 A G E -ab 80 107A 0 100,-2.7 102,-1.4 -2,-0.3 2,-0.6 -0.480 17.8-145.9 -77.1 149.6 -3.3 25.0 -22.4 7 8 A L E -ab 81 108A 0 73,-2.9 75,-2.7 100,-0.2 2,-0.9 -0.953 9.6-158.9-120.0 107.5 -4.8 21.6 -21.6 8 9 A L E -ab 82 109A 0 100,-2.4 102,-2.3 -2,-0.6 2,-0.6 -0.786 8.7-172.4 -93.0 105.6 -3.3 20.0 -18.6 9 10 A V E -ab 83 110A 2 73,-2.1 75,-3.2 -2,-0.9 2,-0.4 -0.873 6.9-166.4-100.4 117.4 -3.9 16.3 -18.7 10 11 A M E +ab 84 111A 0 100,-1.4 102,-3.2 -2,-0.6 2,-0.3 -0.885 12.0 167.1-112.2 137.3 -2.8 14.6 -15.5 11 12 A A E -a 85 0A 5 73,-1.3 75,-1.2 -2,-0.4 102,-0.1 -0.915 47.3-108.6-139.7 163.3 -2.4 10.8 -14.9 12 13 A Y - 0 0 105 -2,-0.3 75,-1.9 100,-0.2 74,-0.7 0.937 64.6-129.3 -58.0 -48.8 -0.9 8.5 -12.3 13 14 A G - 0 0 7 73,-0.2 -1,-0.1 72,-0.2 76,-0.1 -0.169 20.2-143.4 112.4 152.7 2.0 7.6 -14.7 14 15 A T - 0 0 7 -2,-0.1 74,-0.0 74,-0.1 45,-0.0 -0.989 30.0-101.0-149.8 143.7 3.6 4.5 -16.0 15 16 A P - 0 0 0 0, 0.0 41,-0.4 0, 0.0 3,-0.1 -0.085 19.3-141.2 -59.4 168.1 7.2 3.8 -16.8 16 17 A Y S S+ 0 0 72 1,-0.3 2,-0.3 39,-0.1 41,-0.1 0.639 78.9 16.2-105.9 -17.2 8.4 3.9 -20.4 17 18 A K S >> S- 0 0 96 35,-0.1 3,-4.3 34,-0.0 4,-0.6 -0.988 81.9-102.0-157.5 146.5 10.8 1.0 -20.2 18 19 A E T 34 S+ 0 0 96 1,-0.3 4,-0.3 -2,-0.3 3,-0.2 0.637 119.6 65.9 -39.8 -16.3 11.7 -2.1 -18.0 19 20 A E T 34 S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.500 94.2 54.4 -89.4 -6.3 14.5 0.2 -16.9 20 21 A D T <> S+ 0 0 2 -3,-4.3 4,-2.4 2,-0.1 5,-0.2 0.498 79.0 93.7-103.8 -6.1 12.4 2.8 -15.2 21 22 A I H X S+ 0 0 1 -4,-0.6 4,-2.9 -3,-0.2 5,-0.3 0.929 82.2 54.1 -51.8 -52.2 10.5 0.4 -12.9 22 23 A E H > S+ 0 0 82 -4,-0.3 4,-1.9 1,-0.2 5,-0.2 0.948 113.7 37.0 -47.4 -69.6 12.9 0.9 -10.0 23 24 A R H > S+ 0 0 134 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.843 113.9 59.2 -56.1 -35.4 12.7 4.7 -9.7 24 25 A Y H X S+ 0 0 5 -4,-2.4 4,-1.4 1,-0.2 3,-0.3 0.956 111.8 39.2 -59.8 -49.3 9.0 4.7 -10.6 25 26 A Y H X S+ 0 0 32 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.751 108.1 62.1 -74.9 -20.2 8.2 2.5 -7.6 26 27 A T H <>S+ 0 0 29 -4,-1.9 5,-3.2 -5,-0.3 6,-0.3 0.874 106.2 48.0 -68.1 -34.7 10.7 4.3 -5.4 27 28 A H H <5S+ 0 0 68 -4,-1.7 3,-0.3 -3,-0.3 -2,-0.2 0.845 113.9 45.3 -71.2 -38.2 8.6 7.4 -6.0 28 29 A I H <5S+ 0 0 44 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.912 113.7 49.0 -71.1 -43.7 5.4 5.4 -5.2 29 30 A R T ><5S- 0 0 100 -4,-3.0 3,-0.7 3,-0.2 -1,-0.2 0.444 119.8-118.8 -73.9 -1.7 7.1 3.9 -2.1 30 31 A R T 3 5S- 0 0 151 -3,-0.3 -3,-0.2 1,-0.2 -2,-0.1 0.949 75.5 -30.3 62.7 56.9 8.1 7.5 -1.3 31 32 A G T 3 > - 0 0 128 1,-0.1 4,-2.2 0, 0.0 5,-0.5 -0.637 29.4-107.3 -94.1 154.8 14.2 -4.8 -3.0 36 37 A P H >5S+ 0 0 91 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.741 120.0 49.2 -52.3 -21.1 15.9 -7.0 -5.7 37 38 A E H >5S+ 0 0 159 2,-0.2 4,-1.4 3,-0.1 5,-0.1 0.940 115.7 37.4 -83.4 -52.4 13.1 -9.6 -5.1 38 39 A M H >>5S+ 0 0 98 2,-0.2 4,-2.8 1,-0.2 3,-0.6 0.982 119.7 48.1 -61.5 -58.8 10.0 -7.4 -5.2 39 40 A L H 3X5S+ 0 0 13 -4,-2.2 4,-2.5 1,-0.3 5,-0.2 0.925 113.3 47.6 -46.9 -53.9 11.4 -5.2 -8.0 40 41 A Q H 3XS+ 0 0 8 -4,-2.1 5,-1.6 1,-0.3 4,-0.4 0.974 111.1 52.8 -61.2 -53.0 4.9 -6.4 -16.7 47 48 A E H <5S+ 0 0 138 -4,-3.0 3,-0.4 1,-0.2 -1,-0.3 0.780 112.9 49.8 -52.6 -23.6 6.7 -9.0 -18.8 48 49 A A H <5S+ 0 0 73 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.860 102.8 54.6 -84.8 -37.8 3.5 -11.0 -18.1 49 50 A I T <5S- 0 0 29 -4,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.278 131.2 -89.3 -80.6 14.6 0.9 -8.5 -19.1 50 51 A G T 5S- 0 0 69 -3,-0.4 2,-0.2 -4,-0.4 -3,-0.2 0.178 81.1 -55.9 101.2 -17.2 2.6 -8.2 -22.4 51 52 A G < - 0 0 16 -5,-1.6 4,-0.3 -6,-0.2 -4,-0.1 -0.645 42.3 -97.9 134.1 168.6 5.1 -5.5 -21.6 52 53 A I S >> S+ 0 0 17 -2,-0.2 3,-1.1 2,-0.1 4,-0.9 0.861 100.6 73.0 -92.2 -42.6 5.6 -2.0 -20.3 53 54 A S H 3> S+ 0 0 76 1,-0.2 4,-1.0 2,-0.2 3,-0.1 0.831 94.1 53.7 -43.2 -47.3 5.9 0.0 -23.6 54 55 A P H 3> S+ 0 0 61 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.853 100.2 61.8 -61.7 -34.7 2.2 -0.1 -24.5 55 56 A L H X> S+ 0 0 2 -3,-1.1 4,-0.8 -4,-0.3 3,-0.7 0.941 104.5 43.9 -56.7 -56.2 1.0 1.3 -21.2 56 57 A A H 3X S+ 0 0 7 -4,-0.9 4,-1.1 -41,-0.4 -1,-0.2 0.752 109.3 58.9 -62.1 -27.8 2.6 4.7 -21.3 57 58 A Q H 3X S+ 0 0 110 -4,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.797 95.6 63.6 -73.3 -29.3 1.6 5.1 -25.0 58 59 A I H X S+ 0 0 44 -4,-2.1 4,-2.3 -5,-0.2 3,-1.9 0.927 105.6 59.1 -70.4 -46.5 -11.0 16.6 -30.8 70 71 A L H 3X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.3 -1,-0.2 0.789 107.4 50.3 -53.0 -26.4 -11.6 19.6 -28.5 71 72 A N H 3< S+ 0 0 29 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.632 110.6 47.5 -89.5 -11.7 -10.5 21.7 -31.5 72 73 A E H <4 S+ 0 0 131 -3,-1.9 -2,-0.2 -4,-0.5 -3,-0.1 0.872 109.7 49.4 -92.2 -44.9 -12.8 20.0 -34.0 73 74 A I H < S+ 0 0 70 -4,-2.3 2,-0.3 1,-0.1 -2,-0.1 0.762 122.1 24.3 -66.6 -28.6 -16.1 20.1 -32.0 74 75 A Q < - 0 0 19 -4,-0.7 -1,-0.1 -5,-0.3 235,-0.0 -0.970 53.4-166.2-138.4 155.1 -15.7 23.8 -31.1 75 76 A D S S+ 0 0 109 -2,-0.3 -4,-0.1 1,-0.1 -1,-0.1 0.306 70.6 88.1-123.5 5.3 -14.0 26.8 -32.6 76 77 A E S S+ 0 0 99 -74,-0.1 -73,-2.2 1,-0.1 2,-0.3 0.859 98.5 26.7 -72.4 -33.9 -14.1 29.4 -29.8 77 78 A I E -a 3 0A 12 -75,-0.3 2,-0.5 -7,-0.2 -73,-0.2 -0.891 66.3-143.5-129.4 155.8 -10.8 28.1 -28.3 78 79 A T E -a 4 0A 43 -75,-2.8 -73,-1.9 -2,-0.3 2,-0.3 -0.975 24.7-150.4-122.3 116.4 -7.7 26.3 -29.5 79 80 A F E -a 5 0A 3 -2,-0.5 2,-0.5 -12,-0.3 -73,-0.2 -0.643 10.7-163.7 -93.2 144.9 -6.3 23.8 -27.0 80 81 A K E -a 6 0A 83 -75,-1.9 -73,-2.9 -2,-0.3 2,-0.1 -0.970 23.0-131.1-127.5 114.2 -2.7 22.7 -26.6 81 82 A A E +a 7 0A 16 -2,-0.5 2,-0.3 -75,-0.2 -73,-0.2 -0.341 24.2 177.9 -71.8 141.6 -2.1 19.5 -24.6 82 83 A Y E -a 8 0A 12 -75,-2.7 -73,-2.1 -2,-0.1 2,-0.3 -0.915 19.1-145.1-143.4 111.8 0.4 19.0 -21.8 83 84 A I E -a 9 0A 22 -2,-0.3 2,-0.5 -75,-0.2 -73,-0.2 -0.574 12.4-167.9 -79.6 136.3 0.7 15.7 -19.9 84 85 A G E -a 10 0A 0 -75,-3.2 -73,-1.3 -2,-0.3 8,-0.2 -0.902 6.4-167.7-129.0 102.8 1.4 16.0 -16.2 85 86 A L E -ac 11 91A 7 5,-2.6 7,-1.4 -2,-0.5 -73,-0.2 -0.550 15.1-152.5 -90.2 155.2 2.4 12.7 -14.6 86 87 A K S S+ 0 0 36 -75,-1.2 -73,-0.2 -74,-0.7 -74,-0.1 0.889 90.0 21.3 -92.2 -46.5 2.7 12.1 -10.8 87 88 A H S S+ 0 0 22 -75,-1.9 2,-0.3 1,-0.1 -60,-0.2 0.513 123.9 40.9-104.6 -5.4 5.3 9.4 -10.4 88 89 A I S S- 0 0 3 -76,-0.3 -3,-0.2 2,-0.2 -1,-0.1 -0.999 95.1 -59.3-143.4 139.2 7.3 9.6 -13.7 89 90 A E S S+ 0 0 64 -2,-0.3 -3,-0.1 1,-0.1 2,-0.1 -0.148 106.8 59.5 -56.1 152.2 8.5 12.5 -15.8 90 91 A P S S- 0 0 52 0, 0.0 -5,-2.6 0, 0.0 -2,-0.2 0.430 86.8-159.2 -74.3 130.1 7.3 14.8 -17.1 91 92 A F B >> -c 85 0A 52 -7,-0.2 4,-2.3 1,-0.1 3,-1.6 -0.299 31.8-102.2 -75.1 162.7 6.1 15.7 -13.7 92 93 A I H 3> S+ 0 0 0 -7,-1.4 4,-2.1 1,-0.3 5,-0.2 0.887 125.6 52.6 -51.3 -40.6 3.1 18.0 -13.1 93 94 A E H 3> S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.704 109.3 50.2 -69.5 -19.5 5.6 20.7 -12.2 94 95 A D H <> S+ 0 0 81 -3,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.875 110.1 46.9 -85.9 -40.4 7.5 20.2 -15.5 95 96 A A H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.927 115.3 48.4 -64.2 -44.7 4.4 20.3 -17.7 96 97 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 5,-0.2 0.961 109.9 49.7 -60.4 -53.9 3.3 23.4 -15.9 97 98 A A H X S+ 0 0 40 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.847 111.7 52.8 -56.0 -32.2 6.6 25.1 -16.2 98 99 A E H >X S+ 0 0 98 -4,-1.8 4,-1.2 2,-0.2 3,-1.1 0.977 104.1 51.1 -69.1 -55.9 6.6 24.2 -19.9 99 100 A M H ><>S+ 0 0 0 -4,-2.7 3,-2.9 1,-0.3 5,-1.2 0.945 108.8 53.6 -43.1 -57.6 3.2 25.7 -20.7 100 101 A H H ><5S+ 0 0 76 -4,-2.0 3,-1.0 1,-0.3 -1,-0.3 0.820 107.1 52.9 -46.4 -35.1 4.4 29.0 -19.0 101 102 A K H <<5S+ 0 0 176 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.688 104.8 54.9 -76.0 -19.1 7.4 28.8 -21.3 102 103 A D T <<5S- 0 0 72 -3,-2.9 -1,-0.2 -4,-1.2 -2,-0.2 0.281 121.1-104.7 -96.9 7.4 5.1 28.5 -24.4 103 104 A G T < 5 + 0 0 61 -3,-1.0 2,-0.4 -4,-0.4 -3,-0.2 0.750 66.7 151.5 77.5 25.9 3.2 31.7 -23.5 104 105 A I < + 0 0 6 -5,-1.2 -1,-0.2 1,-0.1 -99,-0.1 -0.731 16.9 171.0 -90.1 136.8 0.0 30.1 -22.3 105 106 A T + 0 0 84 -2,-0.4 34,-2.9 -101,-0.3 2,-0.4 0.546 64.0 54.7-118.1 -19.5 -1.9 32.2 -19.7 106 107 A E + 0 0 60 -102,-0.3 -100,-2.7 32,-0.2 2,-0.3 -0.928 63.6 167.8-118.4 141.9 -5.1 30.1 -19.4 107 108 A A E -b 6 0A 1 -2,-0.4 34,-4.0 32,-0.3 2,-0.4 -0.995 22.0-157.8-151.5 156.5 -5.4 26.5 -18.6 108 109 A V E -bd 7 141A 0 -102,-1.4 -100,-2.4 -2,-0.3 2,-0.3 -0.999 18.2-148.5-134.6 135.6 -7.9 23.8 -17.7 109 110 A S E +bd 8 142A 0 32,-3.6 34,-2.2 -2,-0.4 2,-0.3 -0.808 17.1 175.4-109.3 151.3 -6.9 20.6 -16.0 110 111 A I E -bd 9 143A 1 -102,-2.3 -100,-1.4 -2,-0.3 2,-0.2 -0.872 15.7-154.2-152.4 109.7 -8.4 17.1 -16.2 111 112 A V E -b 10 0A 6 32,-0.5 2,-1.9 -2,-0.3 -100,-0.2 -0.615 29.4-112.8 -85.2 150.3 -6.9 14.1 -14.4 112 113 A L S S+ 0 0 20 -102,-3.2 146,-0.3 -2,-0.2 -100,-0.2 -0.462 90.2 87.9 -84.1 69.3 -7.5 10.6 -15.8 113 114 A A - 0 0 27 -2,-1.9 -2,-0.2 144,-0.1 144,-0.1 -0.737 66.5-148.2-166.1 108.9 -9.6 9.4 -12.9 114 115 A P S S+ 0 0 0 0, 0.0 32,-3.0 0, 0.0 33,-1.6 0.714 76.0 66.4 -53.4 -31.7 -13.4 10.0 -12.9 115 116 A H S S- 0 0 3 30,-0.2 2,-0.3 31,-0.2 80,-0.1 -0.485 79.8-119.3 -94.2 167.2 -13.8 10.3 -9.1 116 117 A F + 0 0 21 -2,-0.2 2,-0.3 78,-0.1 82,-0.2 -0.780 32.3 166.0-108.4 150.4 -12.5 12.9 -6.8 117 118 A S > - 0 0 0 -2,-0.3 5,-2.3 27,-0.2 6,-0.6 -0.930 40.7-133.9-165.3 138.9 -10.2 12.4 -3.8 118 119 A T T 5S+ 0 0 31 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.598 108.7 50.6 -67.8 -15.1 -8.1 14.6 -1.5 119 120 A F T 5S+ 0 0 67 3,-0.1 -1,-0.2 4,-0.1 5,-0.0 0.909 128.3 8.4 -90.6 -52.1 -5.2 12.2 -2.0 120 121 A S T >5S+ 0 0 28 3,-0.1 4,-2.7 2,-0.1 5,-0.2 0.927 131.2 33.5 -95.8 -69.6 -5.1 11.9 -5.8 121 122 A V H >5S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.973 124.5 40.1 -54.0 -66.4 -7.3 14.3 -7.7 122 123 A Q H > S+ 0 0 28 -6,-0.6 4,-2.6 2,-0.2 5,-0.3 0.967 106.4 50.6 -66.3 -50.3 -3.4 16.7 -4.7 124 125 A Y H X S+ 0 0 10 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.878 114.2 44.3 -52.3 -44.4 -2.6 16.8 -8.5 125 126 A N H X S+ 0 0 11 -4,-2.0 4,-3.3 -5,-0.2 5,-0.3 0.926 111.1 55.5 -68.5 -44.4 -4.5 20.1 -8.9 126 127 A K H X S+ 0 0 114 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.970 110.3 43.1 -49.9 -65.5 -2.9 21.5 -5.7 127 128 A R H X S+ 0 0 49 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.827 115.6 51.7 -52.5 -36.4 0.7 20.9 -6.9 128 129 A A H >X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.3 3,-0.7 0.989 110.4 45.2 -65.6 -60.1 -0.3 22.2 -10.4 129 130 A K H 3X S+ 0 0 103 -4,-3.3 4,-2.8 1,-0.3 -2,-0.2 0.857 112.5 52.4 -52.6 -39.4 -1.8 25.5 -9.2 130 131 A E H 3X S+ 0 0 86 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.3 0.821 108.6 49.6 -68.3 -32.3 1.1 26.1 -6.8 131 132 A E H + 0 0 8 -32,-3.0 3,-1.7 -2,-0.3 -31,-0.2 0.218 43.5 118.9-163.8 15.6 -16.7 13.5 -14.0 147 148 A Y T 3 S+ 0 0 34 -33,-1.6 -32,-0.1 1,-0.3 6,-0.1 0.798 76.6 61.2 -60.2 -27.9 -17.8 10.0 -13.2 148 149 A D T 3 S+ 0 0 91 -34,-0.2 -1,-0.3 4,-0.1 3,-0.1 0.187 72.5 125.4 -85.3 14.7 -21.4 11.3 -13.5 149 150 A E X> - 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