==== 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 TRANSFERASE 23-JUN-00 1F6Y . COMPND 2 MOLECULE: 5-METHYLTETRAHYDROFOLATE CORRINOID/IRON SULFUR PR . SOURCE 2 ORGANISM_SCIENTIFIC: MOORELLA THERMOACETICA; . AUTHOR T.I.DOUKOV,J.SERAVALLI,J.J.STEZOWSKI,S.W.RAGSDALE . 516 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0.2 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 . 1 0.2 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 . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 0 0 0 2 2 1 1 0 1 8 3 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 5 2 8 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 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 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 1 A M 0 0 22 0, 0.0 2,-0.7 0, 0.0 221,-0.2 0.000 360.0 360.0 360.0 121.6 48.2 23.8 79.2 2 2 A L E -a 222 0A 38 219,-2.5 221,-2.8 37,-0.1 2,-0.7 -0.794 360.0-155.3 -90.7 111.6 46.9 27.0 80.8 3 3 A I E -a 223 0A 2 -2,-0.7 37,-1.6 35,-0.4 38,-1.0 -0.803 3.3-161.7 -90.0 116.4 43.1 27.1 80.9 4 4 A I E -ab 224 41A 0 219,-3.0 221,-1.9 -2,-0.7 38,-0.2 -0.881 24.6-125.4 -97.1 109.1 41.8 30.7 81.0 5 5 A G E -ab 225 42A 0 36,-2.6 38,-2.6 -2,-0.7 3,-0.3 -0.345 21.7-166.6 -66.2 128.2 38.2 30.5 82.2 6 6 A E + 0 0 33 219,-2.3 -1,-0.1 1,-0.2 220,-0.1 0.533 60.8 92.7 -89.5 -11.6 35.8 32.2 79.8 7 7 A R + 0 0 47 218,-0.3 2,-2.2 1,-0.2 -1,-0.2 0.751 63.0 77.5 -76.1 -25.5 32.7 32.5 81.9 8 8 A I S S+ 0 0 0 35,-0.4 37,-1.9 -3,-0.3 2,-0.4 -0.438 70.5 129.5 -82.9 71.9 33.0 36.0 83.5 9 9 A N B > -i 45 0B 17 -2,-2.2 3,-2.2 35,-0.2 6,-0.3 -0.984 64.3-133.2-131.7 133.6 32.0 37.7 80.3 10 10 A G T 3 S+ 0 0 5 35,-1.9 6,-0.3 -2,-0.4 36,-0.1 0.685 100.0 76.4 -62.3 -21.4 29.3 40.4 79.8 11 11 A M T 3 S+ 0 0 124 34,-0.1 2,-0.5 4,-0.1 -1,-0.3 0.666 82.2 82.3 -65.5 -16.0 27.9 38.6 76.8 12 12 A F S X> S- 0 0 55 -3,-2.2 4,-2.3 -5,-0.1 3,-0.6 -0.832 85.2-135.6 -90.0 130.9 26.4 36.2 79.5 13 13 A G H 3> S+ 0 0 39 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.813 100.3 52.6 -56.7 -41.4 23.2 37.7 80.9 14 14 A D H 3> S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.855 112.8 45.6 -68.4 -32.3 23.9 37.0 84.5 15 15 A I H <> S+ 0 0 0 -3,-0.6 4,-2.4 -6,-0.3 -2,-0.2 0.866 110.6 53.2 -76.8 -36.4 27.2 38.7 84.3 16 16 A K H X S+ 0 0 118 -4,-2.3 4,-2.2 -6,-0.3 -2,-0.2 0.901 113.4 44.4 -61.5 -41.9 25.8 41.6 82.4 17 17 A R H X S+ 0 0 144 -4,-2.3 4,-3.5 2,-0.2 5,-0.3 0.922 111.0 52.8 -67.9 -47.6 23.2 42.0 85.2 18 18 A A H X>S+ 0 0 2 -4,-2.3 5,-2.7 1,-0.2 4,-0.7 0.916 113.2 45.0 -55.0 -43.1 25.7 41.6 88.0 19 19 A I H <5S+ 0 0 12 -4,-2.4 3,-0.3 3,-0.2 -1,-0.2 0.934 114.9 47.3 -67.5 -46.2 27.8 44.3 86.5 20 20 A Q H <5S+ 0 0 150 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.916 120.4 38.2 -58.2 -46.5 24.8 46.6 85.9 21 21 A E H <5S- 0 0 132 -4,-3.5 -1,-0.2 2,-0.1 -2,-0.2 0.550 107.2-128.4 -79.9 -8.9 23.6 46.0 89.4 22 22 A R T <5 + 0 0 97 -4,-0.7 -3,-0.2 -3,-0.3 -4,-0.1 0.907 54.4 154.9 51.1 45.8 27.1 46.1 90.8 23 23 A D >< - 0 0 62 -5,-2.7 4,-0.5 -6,-0.2 -1,-0.2 -0.905 27.5-169.9-102.1 110.1 26.4 42.7 92.5 24 24 A P H > + 0 0 45 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.627 66.4 86.0 -74.6 -15.7 29.7 40.9 93.0 25 25 A A H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.927 89.5 45.1 -59.5 -53.0 28.1 37.6 94.0 26 26 A P H > S+ 0 0 34 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.875 116.3 49.6 -59.0 -34.4 27.5 36.1 90.6 27 27 A V H X S+ 0 0 0 -4,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.964 112.7 44.0 -66.0 -52.2 31.0 37.2 89.6 28 28 A Q H X S+ 0 0 21 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.826 112.2 54.7 -65.1 -31.2 32.8 35.7 92.6 29 29 A E H X S+ 0 0 68 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.907 108.5 47.0 -68.9 -41.9 30.7 32.5 92.3 30 30 A W H X S+ 0 0 31 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.786 108.7 59.3 -67.2 -25.6 31.9 32.0 88.7 31 31 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.928 108.5 40.9 -68.4 -47.6 35.4 32.8 89.9 32 32 A R H X S+ 0 0 105 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.941 115.3 50.7 -65.1 -48.7 35.5 29.9 92.4 33 33 A R H X S+ 0 0 111 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.943 111.1 47.5 -59.2 -49.3 33.8 27.4 90.1 34 34 A Q H X>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 4,-1.6 0.966 114.9 46.1 -57.2 -52.8 36.1 28.1 87.2 35 35 A E H <5S+ 0 0 61 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.919 111.9 51.8 -51.6 -45.3 39.1 27.8 89.5 36 36 A E H <5S+ 0 0 132 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.796 103.6 59.2 -67.0 -25.2 37.6 24.6 90.9 37 37 A G H <5S- 0 0 7 -4,-2.1 -1,-0.3 -3,-0.5 -2,-0.2 0.873 130.9 -94.8 -65.3 -37.4 37.2 23.4 87.4 38 38 A G T <5S+ 0 0 2 -4,-1.6 -35,-0.4 -3,-0.4 2,-0.2 0.455 73.4 147.9 130.9 9.9 41.0 23.7 86.9 39 39 A A < - 0 0 0 -5,-1.9 -1,-0.3 -6,-0.2 -35,-0.2 -0.528 28.9-169.0 -68.5 137.4 41.4 27.2 85.4 40 40 A R S S+ 0 0 63 -37,-1.6 28,-1.0 -2,-0.2 2,-0.3 0.167 74.2 39.9-112.4 11.1 44.6 28.9 86.4 41 41 A A E S-bc 4 68A 0 -38,-1.0 -36,-2.6 26,-0.2 2,-0.5 -0.979 71.0-139.9-152.5 155.2 43.5 32.2 84.9 42 42 A L E -bc 5 69A 0 26,-2.5 28,-3.5 -2,-0.3 2,-0.3 -0.961 13.1-142.0-120.7 116.7 40.2 34.2 84.7 43 43 A D E - c 0 70A 2 -38,-2.6 2,-0.5 -2,-0.5 -35,-0.4 -0.582 16.9-159.3 -71.4 134.9 39.1 36.1 81.6 44 44 A L E + c 0 71A 0 26,-3.1 28,-3.2 -2,-0.3 2,-0.4 -0.965 17.9 166.5-123.8 116.8 37.4 39.4 82.5 45 45 A N B -i 9 0B 34 -37,-1.9 -35,-1.9 -2,-0.5 28,-0.1 -0.970 28.2-155.2-137.2 114.6 35.1 41.0 79.9 46 46 A V 0 0 19 26,-0.4 -1,-0.1 -2,-0.4 -37,-0.1 0.717 360.0 360.0 -66.8 -19.5 32.7 43.8 80.8 47 47 A G 0 0 55 -37,-0.1 -1,-0.2 -3,-0.0 -36,-0.0 -0.131 360.0 360.0 97.2 360.0 30.5 42.8 77.9 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 52 A D > 0 0 147 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 80.2 31.6 53.1 81.4 50 53 A K H > + 0 0 95 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.861 360.0 55.7 -70.3 -36.9 34.0 50.3 80.4 51 54 A V H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.951 111.0 42.4 -63.4 -50.7 36.9 51.6 82.5 52 55 A S H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 112.9 54.4 -61.3 -41.1 35.0 51.6 85.8 53 56 A A H X S+ 0 0 3 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.894 108.4 48.2 -64.5 -41.5 33.4 48.2 85.0 54 57 A M H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.944 109.9 53.4 -60.4 -47.2 36.7 46.6 84.4 55 58 A E H X S+ 0 0 51 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.941 111.1 45.1 -52.5 -53.5 38.0 48.1 87.7 56 59 A W H X S+ 0 0 34 -4,-2.6 4,-2.7 1,-0.2 5,-0.4 0.891 111.3 54.2 -57.4 -42.3 35.0 46.6 89.6 57 60 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.951 111.9 44.5 -58.6 -47.0 35.5 43.3 87.8 58 61 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.962 118.2 41.5 -61.9 -54.7 39.2 43.2 88.9 59 62 A E H X S+ 0 0 96 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.954 116.4 47.8 -59.3 -53.6 38.6 44.2 92.5 60 63 A V H < S+ 0 0 9 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.855 117.4 43.3 -58.0 -37.2 35.5 42.1 93.0 61 64 A T H >X S+ 0 0 0 -4,-1.9 3,-1.6 -5,-0.4 4,-0.8 0.900 110.6 51.0 -80.1 -42.2 37.1 39.0 91.5 62 65 A Q H 3< S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.553 95.8 75.3 -76.7 -2.0 40.6 39.2 93.1 63 66 A E T 3< S+ 0 0 134 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.624 113.2 21.2 -78.7 -15.1 38.8 39.5 96.5 64 67 A V T <4 S+ 0 0 47 -3,-1.6 2,-0.3 1,-0.2 -2,-0.2 0.353 124.8 52.3-131.2 0.1 38.0 35.8 96.3 65 68 A S < - 0 0 4 -4,-0.8 -1,-0.2 2,-0.1 -33,-0.0 -0.998 47.7-163.9-145.5 139.0 40.6 34.5 93.9 66 69 A N + 0 0 114 -2,-0.3 -4,-0.1 -3,-0.1 3,-0.1 0.201 54.3 128.5-100.0 14.0 44.4 34.6 93.5 67 70 A L S S- 0 0 17 1,-0.1 -26,-0.2 -26,-0.1 21,-0.1 -0.366 73.5 -91.1 -70.0 148.8 44.2 33.5 89.9 68 71 A T E -c 41 0A 43 -28,-1.0 -26,-2.5 1,-0.1 2,-0.5 -0.342 45.7-129.7 -51.1 133.0 45.9 35.4 87.1 69 72 A L E -cd 42 90A 8 20,-0.8 22,-2.9 -28,-0.2 2,-0.8 -0.823 13.4-155.4-102.0 127.8 43.5 37.9 85.7 70 73 A C E -cd 43 91A 0 -28,-3.5 -26,-3.1 -2,-0.5 2,-0.5 -0.822 11.3-149.2-105.9 96.6 43.0 38.1 82.0 71 74 A L E -cd 44 92A 0 20,-2.6 22,-3.2 -2,-0.8 2,-0.7 -0.520 13.8-167.9 -74.1 113.2 41.7 41.6 81.0 72 75 A D E + d 0 93A 27 -28,-3.2 -26,-0.4 -2,-0.5 2,-0.3 -0.838 33.8 109.6-113.7 96.6 39.5 41.2 78.0 73 76 A S - 0 0 13 20,-1.5 6,-0.1 -2,-0.7 20,-0.0 -0.976 57.1-144.1-164.8 145.6 38.6 44.5 76.2 74 77 A T S S+ 0 0 145 -2,-0.3 2,-0.8 5,-0.0 3,-0.1 0.560 83.7 94.2 -89.8 -11.1 39.3 46.5 73.1 75 78 A N > - 0 0 57 1,-0.2 4,-1.9 2,-0.1 5,-0.1 -0.745 60.9-166.8 -79.4 109.5 39.1 49.6 75.2 76 79 A I H > S+ 0 0 40 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.838 86.0 59.6 -73.2 -32.4 42.8 50.2 76.1 77 80 A K H > S+ 0 0 154 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.940 106.3 49.1 -49.7 -51.3 41.9 52.8 78.7 78 81 A A H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.921 109.8 49.1 -61.1 -48.9 39.9 50.0 80.5 79 82 A I H X S+ 0 0 0 -4,-1.9 4,-3.9 2,-0.2 -1,-0.2 0.954 112.4 49.6 -55.3 -49.5 42.7 47.5 80.3 80 83 A E H X S+ 0 0 65 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.942 111.6 47.0 -56.3 -51.7 45.1 50.1 81.7 81 84 A A H X S+ 0 0 11 -4,-2.8 4,-1.2 1,-0.2 3,-0.3 0.950 116.2 46.0 -54.4 -49.7 42.8 51.0 84.6 82 85 A G H >X S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.2 3,-0.5 0.893 106.4 58.2 -59.0 -44.3 42.3 47.3 85.3 83 86 A L H >< S+ 0 0 8 -4,-3.9 3,-0.5 1,-0.2 -1,-0.2 0.877 105.7 52.3 -51.0 -38.8 46.0 46.6 85.0 84 87 A K H 3< S+ 0 0 134 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.823 108.0 49.2 -69.2 -33.8 46.5 49.2 87.8 85 88 A K H << S+ 0 0 81 -4,-1.2 2,-0.3 -3,-0.5 -1,-0.2 0.604 84.2 113.2 -82.7 -13.3 43.9 47.5 90.1 86 89 A C << - 0 0 23 -4,-1.0 4,-0.1 -3,-0.5 -27,-0.1 -0.438 53.5-158.3 -72.6 123.7 45.4 44.0 89.8 87 90 A K S S+ 0 0 120 -2,-0.3 2,-0.2 -29,-0.1 -1,-0.2 0.781 76.9 21.6 -71.1 -26.1 47.0 42.6 92.9 88 91 A N S S- 0 0 85 1,-0.2 -19,-0.1 -21,-0.1 -21,-0.0 -0.772 108.0 -50.8-132.5 178.7 49.1 40.2 90.9 89 92 A R - 0 0 95 -2,-0.2 -20,-0.8 1,-0.1 2,-0.3 -0.142 61.2-164.1 -48.8 142.7 50.5 39.6 87.5 90 93 A A E -d 69 0A 4 22,-0.3 25,-2.2 -22,-0.2 2,-0.4 -0.794 17.1-128.1-128.0 167.1 47.9 39.9 84.7 91 94 A M E -de 70 115A 3 -22,-2.9 -20,-2.6 -2,-0.3 2,-0.5 -0.939 17.9-140.2-114.6 148.3 47.3 39.0 81.1 92 95 A I E -de 71 116A 0 23,-1.7 25,-2.5 -2,-0.4 2,-0.4 -0.941 11.1-144.1-109.3 124.8 46.1 41.4 78.4 93 96 A N E +d 72 0A 19 -22,-3.2 -20,-1.5 -2,-0.5 25,-0.1 -0.869 64.3 29.4-129.1 94.7 43.5 40.3 75.8 94 97 A S E + 0 0 24 23,-0.5 2,-0.3 -2,-0.4 -1,-0.3 0.581 37.1 129.9-161.1-176.5 44.4 41.7 73.5 95 98 A T E - e 0 118A 1 22,-2.4 24,-2.4 -3,-0.3 2,-0.2 -0.899 30.4-155.6-109.8 154.2 46.5 43.5 70.9 96 99 A N - 0 0 32 -2,-0.3 26,-0.2 22,-0.2 24,-0.1 -0.410 40.1 -88.0-107.4-162.3 46.4 42.8 67.2 97 100 A A S S+ 0 0 5 24,-3.6 2,-0.3 22,-0.3 25,-0.2 0.502 83.0 122.8 -92.5 -3.1 49.2 43.4 64.6 98 101 A E >> - 0 0 36 23,-0.5 4,-2.4 1,-0.2 3,-1.6 -0.457 65.1-136.2 -57.6 118.3 48.1 46.9 63.9 99 102 A R H 3> S+ 0 0 123 -2,-0.3 4,-2.5 1,-0.3 5,-0.3 0.836 104.0 60.1 -45.4 -41.5 51.1 49.1 64.6 100 103 A E H 34 S+ 0 0 101 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.885 111.8 39.4 -59.3 -36.1 48.8 51.6 66.4 101 104 A K H X> S+ 0 0 56 -3,-1.6 4,-3.1 2,-0.1 3,-1.0 0.931 113.6 55.0 -75.6 -46.4 47.9 48.9 68.8 102 105 A V H 3X S+ 0 0 7 -4,-2.4 4,-1.9 1,-0.3 -2,-0.2 0.896 103.5 52.6 -53.2 -51.3 51.3 47.4 69.1 103 106 A E H 3< S+ 0 0 95 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 0.729 119.4 37.7 -65.4 -19.6 53.2 50.6 70.1 104 107 A K H <> S+ 0 0 98 -3,-1.0 4,-2.1 -4,-0.4 -2,-0.2 0.896 121.6 36.1 -92.5 -54.3 50.6 51.0 72.9 105 108 A L H X S+ 0 0 5 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.830 111.5 58.0 -81.6 -32.8 49.8 47.6 74.3 106 109 A F H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.4 -1,-0.2 0.964 114.5 37.5 -60.8 -51.4 53.3 46.0 74.0 107 110 A P H > S+ 0 0 43 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.952 113.7 58.3 -63.2 -45.9 54.9 48.7 76.1 108 111 A L H X S+ 0 0 13 -4,-2.1 4,-1.3 1,-0.3 -2,-0.2 0.891 106.9 47.7 -44.5 -50.2 51.8 48.8 78.4 109 112 A A H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-0.4 0.866 110.1 52.5 -61.8 -38.4 52.3 45.1 79.1 110 113 A V H ><5S+ 0 0 61 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.887 104.5 56.5 -67.6 -37.8 56.0 45.7 79.8 111 114 A E H 3<5S+ 0 0 136 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.865 117.0 34.3 -58.7 -37.0 55.2 48.4 82.3 112 115 A H T 3<5S- 0 0 55 -4,-1.3 -22,-0.3 -5,-0.2 -1,-0.2 0.292 105.5-120.2-108.1 10.2 53.0 46.0 84.3 113 116 A G T < 5 + 0 0 41 -3,-0.8 2,-0.2 -4,-0.4 -3,-0.2 0.841 63.2 153.4 55.4 34.8 55.0 42.8 83.8 114 117 A A < - 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0 0 37 -3,-0.5 3,-0.4 -4,-0.3 -1,-0.2 -0.963 67.2 -97.6-160.8 174.2 57.4 11.3 49.7 445 188 B D S S+ 0 0 159 1,-0.6 2,-0.1 -2,-0.3 -3,-0.0 -0.828 117.7 23.4-150.7 105.6 54.9 12.6 47.2 446 189 B P S S- 0 0 98 0, 0.0 -1,-0.6 0, 0.0 -35,-0.1 0.469 106.6-145.0 -81.7 153.3 52.5 11.1 47.2 447 190 B A - 0 0 34 -3,-0.4 -6,-0.1 1,-0.1 2,-0.1 -0.223 11.6-107.7 -80.2 163.2 53.1 9.8 50.8 448 191 B P - 0 0 9 0, 0.0 -36,-0.2 0, 0.0 -33,-0.2 -0.336 39.5-104.3 -76.0 170.7 52.3 6.5 52.4 449 192 B K E -p 415 0C 67 -35,-2.4 -33,-2.6 -38,-0.7 2,-0.3 -0.472 30.3-132.6 -89.3 168.6 49.5 6.2 54.9 450 193 B T E -p 416 0C 3 29,-0.3 32,-1.5 -35,-0.3 31,-0.8 -0.928 19.5-174.2-125.5 155.6 50.0 5.8 58.7 451 194 B V E -q 482 0C 0 -35,-2.0 2,-0.4 -2,-0.3 -32,-0.3 -0.977 6.3-158.8-144.9 152.2 48.5 3.5 61.3 452 195 B L E -q 483 0C 0 30,-0.9 32,-2.9 -2,-0.3 2,-1.5 -0.994 28.3-136.8-132.1 138.3 48.5 3.0 65.1 453 196 B G > - 0 0 17 -2,-0.4 3,-2.1 1,-0.2 4,-0.2 -0.666 42.1-174.4 -76.8 73.2 47.8 0.1 67.4 454 197 B L G > + 0 0 1 -2,-1.5 3,-2.5 30,-0.5 4,-0.2 0.819 68.5 59.3 -45.2 -53.9 45.9 2.8 69.4 455 198 B S G > S+ 0 0 16 29,-0.9 3,-1.5 1,-0.3 -1,-0.3 0.688 88.8 75.3 -59.5 -17.9 45.0 0.9 72.5 456 199 B N G X S+ 0 0 75 -3,-2.1 3,-0.9 1,-0.3 -1,-0.3 0.702 80.5 72.6 -66.1 -17.7 48.7 0.2 73.2 457 200 B V G < S+ 0 0 0 -3,-2.5 -34,-1.2 -4,-0.2 -1,-0.3 0.647 107.2 31.8 -72.5 -14.1 49.0 3.8 74.4 458 201 B S G X S+ 0 0 0 -3,-1.5 3,-2.7 -36,-0.2 -1,-0.2 0.184 75.6 148.6-127.2 18.0 47.1 3.2 77.6 459 202 B Q T < S+ 0 0 61 -3,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.644 85.2 1.9 -37.4 -50.7 48.0 -0.5 78.3 460 203 B N T 3 S+ 0 0 128 -4,-0.1 -1,-0.3 -3,-0.1 2,-0.2 -0.173 104.8 121.2-132.7 44.1 47.8 -0.4 82.1 461 204 B C < - 0 0 14 -3,-2.7 3,-0.5 1,-0.1 2,-0.2 -0.616 67.8 -94.3-106.5 163.4 46.7 3.2 82.8 462 205 B Q S S+ 0 0 96 1,-0.2 5,-0.2 -2,-0.2 -1,-0.1 -0.548 105.7 8.7 -74.1 142.0 43.8 4.7 84.5 463 206 B N S > S- 0 0 66 -2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.960 74.3-174.3 51.2 62.0 40.8 5.6 82.3 464 207 B R H > S+ 0 0 77 -3,-0.5 4,-3.2 1,-0.2 5,-0.2 0.895 76.1 57.5 -53.8 -49.5 42.2 3.9 79.2 465 208 B P H > S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.918 105.2 51.0 -50.1 -48.0 39.4 5.2 76.9 466 209 B L H > S+ 0 0 2 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.937 114.5 43.8 -55.9 -46.8 40.2 8.8 77.7 467 210 B I H X S+ 0 0 3 -4,-1.6 4,-2.3 -5,-0.2 5,-0.2 0.944 112.2 53.0 -63.5 -49.9 43.8 8.3 76.9 468 211 B N H X S+ 0 0 8 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.912 115.1 39.0 -49.1 -51.3 43.2 6.3 73.8 469 212 B R H X S+ 0 0 49 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.808 110.5 57.6 -84.0 -27.9 40.9 8.9 72.2 470 213 B T H X S+ 0 0 5 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.965 111.0 45.1 -57.7 -49.1 42.9 11.9 73.3 471 214 B F H X S+ 0 0 0 -4,-2.3 4,-3.6 1,-0.2 5,-0.2 0.846 107.2 59.2 -65.1 -35.9 45.9 10.4 71.5 472 215 B L H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.2 0.951 107.6 45.4 -55.5 -52.1 43.8 9.6 68.4 473 216 B A H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.947 115.3 47.9 -58.4 -50.8 42.8 13.2 67.9 474 217 B M H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 3,-0.2 0.936 113.5 46.6 -53.0 -52.4 46.4 14.3 68.5 475 218 B A H ><>S+ 0 0 0 -4,-3.6 5,-2.3 1,-0.2 3,-0.9 0.882 109.0 55.4 -63.6 -34.5 47.8 11.7 66.1 476 219 B M H ><5S+ 0 0 2 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.864 101.9 56.2 -67.9 -34.0 45.2 12.6 63.5 477 220 B A H 3<5S+ 0 0 14 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.688 106.8 52.9 -64.1 -19.4 46.3 16.2 63.6 478 221 B C T <<5S- 0 0 0 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.102 135.0 -90.1-104.7 16.2 49.7 14.7 62.8 479 222 B G T < 5 + 0 0 9 -3,-1.7 -29,-0.3 1,-0.2 -3,-0.2 0.428 61.5 171.6 98.5 3.7 48.2 12.9 59.8 480 223 B L < - 0 0 2 -5,-2.3 -1,-0.2 1,-0.2 -29,-0.1 -0.197 9.3-175.4 -49.0 122.6 47.1 9.6 61.2 481 224 B M + 0 0 72 -31,-0.8 -219,-2.5 1,-0.2 2,-0.3 0.776 60.0 5.1 -94.8 -31.3 45.1 7.8 58.5 482 225 B S E -jq 262 451C 0 -32,-1.5 -30,-0.9 -221,-0.2 2,-0.3 -0.975 56.4-159.0-152.5 164.3 44.0 4.7 60.4 483 226 B A E -jq 263 452C 0 -221,-2.4 -219,-3.5 -2,-0.3 2,-0.7 -0.968 20.0-137.9-152.3 131.5 43.9 2.9 63.8 484 227 B I E +j 264 0C 22 -32,-2.9 -29,-0.9 -2,-0.3 -30,-0.5 -0.806 61.6 117.0 -80.5 114.1 43.5 -0.5 65.3 485 228 B A E S-j 265 0C 0 -221,-2.4 -219,-1.9 -2,-0.7 2,-1.3 -0.845 70.0 -47.1-161.4-169.9 41.2 0.2 68.2 486 229 B D > + 0 0 58 -2,-0.2 3,-2.2 -221,-0.2 7,-0.2 -0.655 39.6 179.3 -84.7 91.4 37.9 -0.3 70.1 487 230 B A T 3 S+ 0 0 1 -2,-1.3 -1,-0.2 1,-0.3 -188,-0.2 0.653 83.7 62.4 -66.2 -14.6 35.2 0.3 67.4 488 231 B C T 3 S+ 0 0 49 -3,-0.1 2,-1.0 -190,-0.1 -1,-0.3 0.366 78.6 98.8 -90.1 2.2 32.7 -0.4 70.2 489 232 B D <> - 0 0 25 -3,-2.2 4,-2.3 1,-0.2 3,-0.4 -0.783 58.1-169.2 -89.7 95.0 34.1 2.6 72.0 490 233 B E H > S+ 0 0 146 -2,-1.0 4,-2.1 1,-0.3 -1,-0.2 0.766 85.5 53.3 -63.1 -29.2 31.5 5.2 71.1 491 234 B A H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.888 108.1 51.0 -70.2 -41.1 33.6 8.1 72.5 492 235 B L H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.932 111.3 47.5 -56.4 -50.5 36.5 6.9 70.3 493 236 B I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.891 109.3 54.6 -59.1 -42.3 34.2 6.9 67.3 494 237 B E H X S+ 0 0 57 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.930 108.9 48.1 -55.4 -47.9 33.0 10.3 68.3 495 238 B T H X S+ 0 0 9 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.909 110.3 51.0 -61.5 -45.9 36.6 11.6 68.3 496 239 B A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.970 113.2 45.7 -54.0 -55.7 37.4 10.1 65.0 497 240 B A H X S+ 0 0 2 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.912 116.0 46.6 -50.8 -48.4 34.3 11.7 63.5 498 241 B T H X S+ 0 0 1 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.878 109.4 51.1 -68.7 -40.2 35.1 15.0 65.1 499 242 B A H X S+ 0 0 0 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.847 104.7 58.4 -72.2 -31.8 38.8 15.2 64.2 500 243 B E H ><>S+ 0 0 7 -4,-1.9 5,-2.6 -5,-0.3 6,-0.8 0.943 108.3 46.4 -55.7 -50.9 38.0 14.5 60.5 501 244 B I H ><5S+ 0 0 4 -4,-1.5 3,-2.1 1,-0.2 -2,-0.2 0.924 108.1 55.5 -55.5 -48.6 35.8 17.6 60.5 502 245 B L H 3<5S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.685 109.6 47.1 -65.1 -19.6 38.4 19.7 62.3 503 246 B L T <<5S- 0 0 28 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.373 113.1-119.5 -99.2 2.6 40.9 18.8 59.5 504 247 B N T < 5S+ 0 0 72 -3,-2.1 -3,-0.2 -4,-0.2 -2,-0.1 0.813 79.5 125.5 62.3 27.8 38.4 19.6 56.8 505 248 B Q S - 0 0 42 1,-0.1 3,-1.0 -3,-0.1 6,-0.1 -0.877 49.5-104.8-166.5 151.7 27.1 18.6 58.9 510 253 B D T 3 S+ 0 0 101 1,-0.3 2,-1.4 -2,-0.3 3,-0.4 0.856 118.6 40.4 -44.2 -60.8 24.9 18.6 62.1 511 254 B S T 3> S+ 0 0 46 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 -0.298 74.5 144.3 -86.8 54.7 24.8 14.9 62.6 512 255 B F H <> + 0 0 12 -2,-1.4 4,-2.0 -3,-1.0 -1,-0.2 0.825 68.8 54.6 -66.9 -30.7 28.4 14.5 61.7 513 256 B V H > S+ 0 0 29 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.945 109.9 46.5 -64.2 -48.7 28.9 11.7 64.3 514 257 B K H > S+ 0 0 130 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.907 110.8 53.8 -55.0 -46.4 26.0 9.8 62.7 515 258 B M H X S+ 0 0 85 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.862 105.6 51.5 -62.5 -39.9 27.4 10.4 59.2 516 259 B F H < S+ 0 0 4 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.837 114.5 46.1 -64.1 -30.3 30.8 9.0 60.2 517 260 B K H < S+ 0 0 61 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.807 125.6 25.5 -80.9 -30.9 29.0 5.9 61.5 518 261 B T H < 0 0 101 -4,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.621 360.0 360.0-116.1 -18.2 26.6 5.3 58.6 519 262 B R < 0 0 147 -4,-2.4 -3,-0.0 -5,-0.3 -4,-0.0 -0.069 360.0 360.0 -52.0 360.0 28.2 6.8 55.5