==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-JAN-99 1B6S . COMPND 2 MOLECULE: PROTEIN (N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.B.THODEN,T.J.KAPPOCK,J.STUBBE,H.M.HOLDEN . 1406 7 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 985 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 282 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 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 . 115 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 187 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.3 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 4 2 2 4 6 7 6 1 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 4 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 PARALLEL BRIDGES PER LADDER . 2 1 9 9 10 6 5 0 4 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 6 2 0 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 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 0 165 0, 0.0 2,-0.5 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0-174.7 -4.2 -12.7 -16.4 2 2 A K E -a 25 0A 64 22,-0.8 24,-3.1 42,-0.0 2,-0.4 -0.949 360.0-176.6-105.9 123.1 -2.1 -9.5 -16.7 3 3 A Q E +a 26 0A 49 -2,-0.5 42,-2.3 22,-0.2 2,-0.3 -0.990 9.1 178.3-132.7 129.9 1.6 -10.3 -16.8 4 4 A V E -ab 27 45A 0 22,-3.4 24,-2.2 -2,-0.4 2,-0.4 -0.896 13.3-155.9-126.3 151.0 4.6 -8.0 -16.9 5 5 A C E -ab 28 46A 3 40,-2.5 42,-2.3 -2,-0.3 2,-0.6 -0.991 12.9-151.6-126.0 131.9 8.3 -8.7 -16.9 6 6 A V E -ab 29 47A 0 22,-3.3 24,-3.1 -2,-0.4 2,-0.8 -0.953 12.4-136.8-114.0 126.4 10.7 -6.0 -15.7 7 7 A L E S+ab 30 48A 1 40,-2.9 42,-3.6 -2,-0.6 43,-0.8 -0.706 80.0 47.1 -76.3 108.8 14.2 -5.8 -16.9 8 8 A G B -C 30 0A 4 22,-3.8 22,-0.8 -2,-0.8 23,-0.2 0.005 65.0-139.8 122.0 136.3 16.0 -5.1 -13.6 9 9 A N + 0 0 114 20,-0.2 22,-0.1 -2,-0.1 -1,-0.1 0.265 64.0 124.2-100.3 2.6 16.0 -6.7 -10.2 10 10 A G S > S- 0 0 28 20,-0.1 4,-1.4 1,-0.1 40,-0.0 0.311 81.6 -90.2 -55.5-175.4 16.3 -3.3 -8.4 11 11 A Q H > S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.710 123.7 60.9 -75.7 -21.9 14.0 -1.7 -5.8 12 12 A L H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.862 105.0 47.3 -70.8 -40.1 11.9 -0.1 -8.5 13 13 A G H > S+ 0 0 0 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.902 111.5 52.4 -65.0 -43.6 11.1 -3.5 -9.9 14 14 A R H X S+ 0 0 41 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.942 111.7 44.6 -57.3 -53.3 10.3 -4.6 -6.4 15 15 A M H X S+ 0 0 3 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.816 111.6 53.6 -61.3 -38.9 8.0 -1.7 -5.8 16 16 A L H X S+ 0 0 3 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.960 109.6 49.0 -60.8 -49.8 6.4 -2.2 -9.2 17 17 A R H X S+ 0 0 69 -4,-3.5 4,-1.6 1,-0.3 -2,-0.2 0.896 110.0 50.8 -56.3 -41.3 5.8 -5.9 -8.3 18 18 A Q H < S+ 0 0 36 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.881 109.0 51.5 -64.7 -36.7 4.3 -4.8 -5.1 19 19 A A H < S+ 0 0 17 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.840 110.3 49.2 -69.1 -32.4 2.0 -2.4 -6.8 20 20 A G H ><>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 3,-1.0 0.833 90.9 75.0 -77.3 -38.7 0.7 -4.9 -9.2 21 21 A E G ><5S+ 0 0 32 -4,-1.6 3,-1.3 1,-0.3 -1,-0.2 0.856 98.2 45.4 -44.2 -50.0 -0.2 -7.8 -6.9 22 22 A P G 3 5S+ 0 0 21 0, 0.0 635,-2.9 0, 0.0 -1,-0.3 0.751 109.5 57.5 -70.1 -23.5 -3.4 -6.3 -5.5 23 23 A L G < 5S- 0 0 6 -3,-1.0 -2,-0.2 -4,-0.4 3,-0.1 0.492 118.6-111.7 -82.0 -6.0 -4.3 -5.3 -9.0 24 24 A G T < 5S+ 0 0 2 -3,-1.3 -22,-0.8 -4,-0.4 2,-0.5 0.526 76.6 134.4 82.0 6.5 -4.2 -8.9 -10.1 25 25 A I E < -a 2 0A 4 -5,-2.1 2,-0.7 -24,-0.1 -1,-0.3 -0.802 50.0-143.5 -93.4 127.3 -1.1 -8.0 -12.3 26 26 A A E -a 3 0A 21 -24,-3.1 -22,-3.4 -2,-0.5 2,-0.5 -0.803 16.2-168.7 -94.9 110.3 1.8 -10.4 -12.1 27 27 A V E -a 4 0A 9 -2,-0.7 -22,-0.2 -10,-0.2 -6,-0.1 -0.874 6.5-169.0-100.8 127.0 5.2 -8.6 -12.3 28 28 A W E -a 5 0A 125 -24,-2.2 -22,-3.3 -2,-0.5 2,-0.2 -0.942 9.2-161.8-117.7 98.9 8.3 -10.6 -12.8 29 29 A P E -a 6 0A 33 0, 0.0 2,-0.4 0, 0.0 -20,-0.2 -0.501 16.8-169.0 -76.5 146.0 11.3 -8.4 -12.2 30 30 A V E -aC 7 8A 18 -24,-3.1 -22,-3.8 -22,-0.8 2,-0.2 -0.968 19.4-129.6-151.3 141.1 14.4 -9.9 -13.7 31 31 A G > - 0 0 7 -2,-0.4 3,-2.4 -23,-0.2 -24,-0.0 -0.499 29.6-115.5 -84.7 153.8 18.2 -9.5 -13.8 32 32 A L T 3 S+ 0 0 46 1,-0.3 27,-0.3 -2,-0.2 26,-0.3 0.791 115.3 61.5 -50.9 -37.0 20.4 -9.3 -16.9 33 33 A D T 3 S+ 0 0 137 25,-0.1 -1,-0.3 23,-0.1 2,-0.1 0.476 82.7 130.3 -67.0 -9.3 22.1 -12.6 -16.0 34 34 A A < - 0 0 7 -3,-2.4 24,-0.4 1,-0.1 -4,-0.0 -0.250 61.1-126.8 -55.9 129.5 18.7 -14.1 -16.3 35 35 A E >> - 0 0 109 1,-0.1 3,-2.3 22,-0.1 4,-0.8 -0.553 17.3-126.0 -76.7 137.2 18.3 -17.2 -18.4 36 36 A P G >4 S+ 0 0 44 0, 0.0 3,-0.6 0, 0.0 5,-0.3 0.837 108.8 61.6 -51.5 -34.4 15.7 -16.8 -21.1 37 37 A A G 34 S+ 0 0 99 1,-0.2 -3,-0.0 3,-0.1 -2,-0.0 0.721 97.8 56.2 -70.2 -17.5 14.1 -20.0 -19.8 38 38 A A G <4 S+ 0 0 61 -3,-2.3 -1,-0.2 2,-0.0 -4,-0.0 0.705 95.1 74.5 -88.7 -16.8 13.4 -18.6 -16.3 39 39 A V S << S- 0 0 9 -4,-0.8 3,-0.5 -3,-0.6 2,-0.4 -0.796 71.8-143.0 -98.0 139.3 11.4 -15.6 -17.4 40 40 A P > + 0 0 20 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.167 57.2 136.1 -90.4 39.9 7.8 -15.9 -18.7 41 41 A F G > + 0 0 20 -2,-0.4 3,-1.4 1,-0.3 -36,-0.1 0.738 57.4 68.0 -58.3 -32.1 8.7 -13.2 -21.1 42 42 A Q G 3 S+ 0 0 109 -3,-0.5 -1,-0.3 1,-0.3 -3,-0.0 0.659 107.3 40.4 -70.4 -10.6 7.0 -15.0 -23.9 43 43 A Q G < S+ 0 0 110 -3,-1.9 2,-0.3 2,-0.1 -1,-0.3 0.009 109.0 58.9-129.2 37.1 3.8 -14.3 -22.2 44 44 A S S < S- 0 0 13 -3,-1.4 2,-0.3 -42,-0.1 -40,-0.2 -0.925 77.9 -96.9-150.7 175.3 4.0 -10.8 -20.9 45 45 A V E -b 4 0A 37 -42,-2.3 -40,-2.5 -2,-0.3 2,-0.4 -0.681 43.5-133.7 -88.1 149.0 4.5 -7.3 -21.5 46 46 A I E +bd 5 68A 3 21,-2.6 23,-1.3 -2,-0.3 2,-0.3 -0.921 31.1 158.2-118.1 140.1 8.0 -6.0 -21.0 47 47 A T E -b 6 0A 2 -42,-2.3 -40,-2.9 -2,-0.4 2,-0.3 -0.841 23.4-138.7-139.8 175.2 9.3 -3.0 -19.2 48 48 A A E -b 7 0A 5 -42,-0.3 -40,-0.2 -2,-0.3 -42,-0.1 -0.999 19.1-160.7-145.6 148.3 12.6 -2.0 -17.7 49 49 A E S S+ 0 0 24 -42,-3.6 2,-0.3 -2,-0.3 -41,-0.2 0.507 82.8 70.5 -97.2 -9.7 13.8 -0.3 -14.6 50 50 A I S S- 0 0 41 -43,-0.8 -43,-0.1 1,-0.1 3,-0.1 -0.794 72.4-141.9-110.3 146.0 17.2 0.4 -16.4 51 51 A E S S+ 0 0 52 -2,-0.3 2,-0.3 1,-0.1 27,-0.3 0.856 85.1 10.9 -73.1 -37.0 18.1 2.7 -19.2 52 52 A R - 0 0 153 26,-0.1 -1,-0.1 23,-0.0 71,-0.0 -0.937 64.6-166.7-142.3 162.9 20.5 0.3 -20.9 53 53 A W - 0 0 61 -2,-0.3 -46,-0.0 -3,-0.1 0, 0.0 -1.000 26.5-100.4-153.6 153.8 21.6 -3.3 -20.7 54 54 A P - 0 0 70 0, 0.0 2,-1.3 0, 0.0 5,-0.2 -0.236 46.7 -99.4 -67.1 160.6 24.3 -5.7 -21.9 55 55 A E + 0 0 135 4,-0.1 2,-0.2 3,-0.1 3,-0.0 -0.666 58.4 158.1 -89.3 99.3 23.6 -8.0 -24.8 56 56 A T > - 0 0 35 -2,-1.3 4,-2.8 1,-0.1 5,-0.2 -0.649 59.2 -96.3-109.1 169.1 22.7 -11.3 -23.2 57 57 A A H > S+ 0 0 64 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.904 127.7 43.0 -49.9 -44.4 20.8 -14.3 -24.7 58 58 A L H > S+ 0 0 2 -24,-0.4 4,-2.4 -26,-0.3 5,-0.2 0.963 113.8 46.6 -65.4 -59.3 17.7 -12.9 -23.0 59 59 A T H 4 S+ 0 0 9 -27,-0.3 4,-0.4 1,-0.3 -1,-0.2 0.804 111.5 57.1 -54.1 -32.8 18.2 -9.2 -23.8 60 60 A R H >< S+ 0 0 158 -4,-2.8 3,-1.2 2,-0.2 -1,-0.3 0.956 106.9 44.8 -63.9 -50.6 18.9 -10.4 -27.2 61 61 A E H >< S+ 0 0 62 -4,-1.9 3,-1.8 1,-0.3 -2,-0.2 0.871 106.5 60.7 -58.8 -39.5 15.5 -12.2 -27.5 62 62 A L G >< S+ 0 0 5 -4,-2.4 3,-1.1 1,-0.3 -1,-0.3 0.630 87.5 78.3 -65.1 -12.7 13.8 -9.1 -26.1 63 63 A A G < S+ 0 0 64 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.714 99.2 38.4 -68.7 -24.3 15.2 -7.3 -29.1 64 64 A R G < S+ 0 0 186 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.1 -0.196 85.2 135.6-120.4 39.5 12.4 -8.8 -31.3 65 65 A H X - 0 0 21 -3,-1.1 3,-1.5 1,-0.1 6,-0.1 -0.838 47.3-154.7 -98.5 121.6 9.5 -8.5 -28.8 66 66 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.352 97.7 47.1 -68.1 0.7 6.2 -7.2 -30.1 67 67 A A T 3 + 0 0 29 -5,-0.1 -21,-2.6 -23,-0.1 2,-1.2 0.152 69.5 116.9-133.7 22.1 5.6 -6.2 -26.5 68 68 A F B X -d 46 0A 12 -3,-1.5 3,-1.8 -23,-0.2 4,-0.2 -0.757 60.5-144.0 -96.0 91.5 8.7 -4.5 -25.2 69 69 A V T 3 S- 0 0 16 -23,-1.3 -21,-0.2 -2,-1.2 -2,-0.1 -0.342 76.0 -0.6 -60.7 126.4 7.2 -1.1 -24.5 70 70 A N T >> S+ 0 0 16 -2,-0.1 4,-1.8 145,-0.1 3,-1.7 0.498 86.3 144.4 71.3 11.6 9.4 1.9 -25.1 71 71 A R T <4 S+ 0 0 57 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.787 74.5 38.8 -47.0 -40.3 12.1 -0.5 -26.2 72 72 A D T 34 S+ 0 0 105 -4,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.523 106.5 66.3 -92.8 -6.3 13.4 1.8 -28.8 73 73 A V T X> S+ 0 0 15 -3,-1.7 4,-1.4 1,-0.1 3,-1.3 0.874 88.9 68.3 -78.3 -42.4 12.9 4.9 -26.8 74 74 A F H >X S+ 0 0 4 -4,-1.8 4,-3.7 1,-0.3 3,-0.7 0.872 88.5 60.6 -42.3 -59.4 15.5 4.0 -24.3 75 75 A P H 3> S+ 0 0 78 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.753 105.9 49.1 -47.8 -31.1 18.5 4.3 -26.5 76 76 A I H <4 S+ 0 0 63 -3,-1.3 3,-0.2 -4,-0.3 -2,-0.2 0.894 117.2 39.6 -77.5 -40.3 17.8 7.9 -27.1 77 77 A I H << S+ 0 0 1 -4,-1.4 6,-0.2 -3,-0.7 159,-0.2 0.927 103.8 68.5 -73.4 -41.7 17.4 8.7 -23.5 78 78 A A H < S+ 0 0 20 -4,-3.7 2,-0.7 -27,-0.3 46,-0.2 0.733 93.8 70.2 -44.7 -33.5 20.2 6.5 -22.3 79 79 A D X - 0 0 22 -4,-0.6 4,-2.5 -5,-0.3 44,-0.2 -0.880 68.9-157.2-102.5 116.2 22.6 8.9 -23.9 80 80 A R H > S+ 0 0 35 42,-2.4 4,-2.6 -2,-0.7 5,-0.2 0.753 95.4 56.4 -55.3 -30.4 23.0 12.3 -22.4 81 81 A L H > S+ 0 0 22 2,-0.2 4,-2.4 41,-0.2 -1,-0.2 0.989 111.9 37.4 -66.2 -58.3 24.1 13.6 -25.8 82 82 A T H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.841 116.5 56.1 -62.4 -33.1 21.1 12.5 -27.8 83 83 A Q H >X S+ 0 0 11 -4,-2.5 4,-1.7 2,-0.2 3,-0.6 0.994 108.9 43.7 -59.9 -61.2 19.0 13.5 -24.8 84 84 A K H 3X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.3 -2,-0.2 0.852 112.6 56.0 -51.5 -38.3 20.3 17.0 -24.7 85 85 A Q H 3X S+ 0 0 100 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.3 0.909 101.1 56.4 -59.2 -46.1 19.9 17.0 -28.4 86 86 A L H X>S+ 0 0 0 -4,-1.7 5,-1.7 1,-0.2 4,-1.1 0.955 109.0 51.6 -53.4 -51.4 15.7 19.2 -25.9 88 88 A D H 3<5S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.815 107.5 51.9 -55.5 -37.8 17.3 21.3 -28.5 89 89 A K H 3<5S+ 0 0 135 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.746 113.8 44.9 -73.1 -24.5 15.1 19.8 -31.3 90 90 A L H <<5S- 0 0 35 -4,-1.4 -2,-0.2 -3,-0.9 -1,-0.2 0.538 108.7-123.0 -93.9 -11.8 12.1 20.7 -29.2 91 91 A H T <5 + 0 0 162 -4,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.934 56.2 155.7 63.1 48.1 13.2 24.2 -28.2 92 92 A L < - 0 0 14 -5,-1.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.899 51.0 -98.2-106.7 132.1 13.0 23.4 -24.5 93 93 A P + 0 0 41 0, 0.0 140,-3.4 0, 0.0 2,-0.3 -0.162 58.7 147.3 -52.5 131.2 15.1 25.3 -22.0 94 94 A T B -e 233 0B 24 138,-0.3 140,-0.1 130,-0.0 3,-0.1 -0.982 50.7 -77.3-160.5 158.4 18.2 23.5 -20.9 95 95 A A - 0 0 2 138,-0.6 57,-0.0 -2,-0.3 58,-0.0 -0.459 58.1 -92.8 -70.1 134.7 21.8 24.4 -19.9 96 96 A P + 0 0 54 0, 0.0 55,-2.5 0, 0.0 2,-0.3 -0.119 59.4 178.7 -46.3 118.4 24.3 25.3 -22.5 97 97 A W E +N 150 0C 50 53,-0.2 2,-0.3 -3,-0.1 53,-0.2 -0.919 21.1 178.9-132.1 159.9 26.0 22.2 -23.5 98 98 A Q E -N 149 0C 43 51,-1.8 51,-2.5 -2,-0.3 2,-0.5 -0.980 38.6-102.2-150.3 156.7 28.6 20.8 -25.9 99 99 A L E -N 148 0C 49 -2,-0.3 2,-1.4 49,-0.2 49,-0.2 -0.741 33.3-134.1 -87.0 136.3 30.1 17.5 -26.6 100 100 A L + 0 0 0 47,-2.0 45,-2.9 -2,-0.5 46,-0.5 -0.640 51.4 138.7 -90.5 84.8 33.5 17.3 -25.0 101 101 A A + 0 0 34 -2,-1.4 -1,-0.1 43,-0.3 4,-0.1 0.862 57.7 31.1 -86.0 -90.4 35.7 15.8 -27.6 102 102 A E > - 0 0 119 1,-0.1 3,-0.6 2,-0.1 4,-0.2 -0.187 59.3-140.0 -69.0 157.5 39.1 17.4 -27.9 103 103 A R G > S+ 0 0 111 1,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.576 108.6 77.0 -82.6 -15.9 41.1 19.0 -25.0 104 104 A S G 3 S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.126 87.5 57.9 -74.3 11.6 41.6 21.3 -28.0 105 105 A E G <> S+ 0 0 61 -3,-0.6 4,-3.0 -4,-0.1 3,-0.3 0.571 78.3 90.2-116.3 -24.9 38.0 22.4 -27.1 106 106 A W H <> S+ 0 0 17 -3,-0.8 4,-3.0 1,-0.2 5,-0.3 0.784 81.3 55.7 -41.4 -53.0 38.7 23.6 -23.6 107 107 A P H 4 S+ 0 0 97 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.957 116.0 36.8 -51.5 -55.6 39.5 27.2 -24.3 108 108 A A H >> S+ 0 0 34 -3,-0.3 4,-2.5 1,-0.2 3,-1.5 0.921 113.4 59.6 -64.4 -42.9 36.4 27.8 -26.2 109 109 A V H 3X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.3 5,-0.4 0.913 106.3 44.5 -50.0 -54.4 34.5 25.6 -23.8 110 110 A F H 3< S+ 0 0 31 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.545 114.4 56.5 -68.2 -6.9 35.3 27.7 -20.8 111 111 A D H <4 S+ 0 0 108 -3,-1.5 -2,-0.3 -4,-0.3 -1,-0.2 0.866 111.2 37.3 -90.0 -43.5 34.5 30.6 -23.1 112 112 A R H 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351 354 A F T << 0 0 16 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.528 360.0 360.0 -78.6 -9.5 6.0 24.1 5.9 352 355 A G < 0 0 36 -3,-0.7 485,-0.0 -4,-0.3 -3,-0.0 -0.568 360.0 360.0 -63.5 360.0 6.9 27.4 7.4 353 !* 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 0.0 354 1 B M 0 0 173 0, 0.0 2,-0.5 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0-152.8 15.3 -11.1 10.0 355 2 B K E +q 378 0D 63 22,-0.6 24,-3.4 2,-0.0 2,-0.4 -0.994 360.0 177.0-124.9 111.0 11.7 -10.6 10.8 356 3 B Q E +q 379 0D 36 -2,-0.5 42,-2.5 22,-0.2 2,-0.4 -0.987 11.9 179.3-129.0 134.1 9.8 -13.7 9.9 357 4 B V E -qr 380 398D 0 22,-3.4 24,-2.8 -2,-0.4 2,-0.4 -0.997 12.0-157.6-135.6 135.6 6.2 -14.7 10.3 358 5 B C E -qr 381 399D 0 40,-2.3 42,-2.4 -2,-0.4 2,-0.6 -0.924 11.8-152.5-110.6 132.1 4.3 -17.8 9.3 359 6 B V E -qr 382 400D 0 22,-2.8 24,-4.1 -2,-0.4 2,-0.9 -0.921 14.1-135.2-113.7 120.1 0.6 -17.6 8.9 360 7 B L E S+qr 383 401D 0 40,-2.7 42,-2.5 -2,-0.6 43,-0.6 -0.655 81.7 43.8 -69.1 104.7 -1.6 -20.7 9.4 361 8 B G - 0 0 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-0.993 18.5-160.8-148.4 150.9 -3.1 -17.6 11.9 402 49 B E S S+ 0 0 22 -42,-2.5 2,-0.3 -2,-0.3 -41,-0.1 0.370 84.9 63.8-106.3 -0.3 -5.8 -16.3 9.7 403 50 B I - 0 0 37 -43,-0.6 -43,-0.1 1,-0.1 3,-0.1 -0.833 68.7-147.0-120.7 155.2 -8.2 -19.0 10.8 404 51 B E S S+ 0 0 54 -2,-0.3 2,-0.3 1,-0.1 27,-0.2 0.765 84.0 28.3 -89.6 -33.8 -9.8 -19.6 14.2 405 52 B R - 0 0 143 26,-0.1 -1,-0.1 23,-0.0 71,-0.0 -0.833 63.7-176.9-129.3 165.0 -9.9 -23.2 13.7 406 53 B W - 0 0 50 -2,-0.3 -46,-0.0 -3,-0.1 3,-0.0 -0.968 25.3-109.6-162.4 149.5 -8.1 -26.1 11.9 407 54 B P - 0 0 71 0, 0.0 2,-1.2 0, 0.0 5,-0.2 -0.169 47.2 -92.4 -69.4 167.3 -8.1 -29.8 11.2 408 55 B E + 0 0 149 4,-0.1 2,-0.3 3,-0.1 3,-0.0 -0.735 63.3 152.6 -89.7 99.3 -5.5 -32.2 12.6 409 56 B T > - 0 0 37 -2,-1.2 4,-3.0 1,-0.1 5,-0.3 -0.891 61.3-108.1-122.8 152.2 -2.9 -32.3 9.9 410 57 B A H > S+ 0 0 67 -2,-0.3 4,-1.6 1,-0.3 5,-0.2 0.828 123.3 53.8 -50.4 -27.3 0.8 -33.1 10.4 411 58 B L H > S+ 0 0 2 -26,-0.4 4,-2.1 2,-0.2 -1,-0.3 0.961 109.8 40.8 -70.8 -55.1 1.2 -29.4 9.7 412 59 B T H > S+ 0 0 5 -27,-0.3 4,-2.8 1,-0.2 5,-0.3 0.827 110.9 60.8 -64.4 -32.1 -1.2 -28.1 12.3 413 60 B R H X S+ 0 0 102 -4,-3.0 4,-1.0 2,-0.2 -1,-0.2 0.926 110.0 40.8 -59.0 -48.2 0.2 -30.6 14.7 414 61 B E H >X S+ 0 0 84 -4,-1.6 3,-0.7 -5,-0.3 4,-0.6 0.999 120.2 41.1 -61.3 -69.3 3.6 -29.1 14.4 415 62 B L H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 6,-0.3 0.874 110.1 54.3 -48.1 -56.5 2.7 -25.5 14.4 416 63 B A H 3< S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.845 109.2 52.3 -53.8 -32.4 0.0 -25.5 17.1 417 64 B R H << S+ 0 0 144 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.576 85.7 106.2 -76.8 -17.9 2.6 -27.1 19.4 418 65 B H X< - 0 0 37 -3,-1.8 3,-3.2 -4,-0.6 6,-0.1 -0.602 68.7-141.3 -75.6 120.1 5.3 -24.5 18.8 419 66 B P T 3 S+ 0 0 130 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.661 99.7 70.0 -52.3 -17.5 5.8 -22.1 21.7 420 67 B A T 3 + 0 0 34 -5,-0.1 -21,-1.6 -26,-0.1 2,-0.9 0.641 69.6 107.1 -76.3 -17.5 6.2 -19.4 19.0 421 68 B F B X S-s 399 0D 8 -3,-3.2 3,-1.2 -6,-0.3 2,-0.2 -0.548 70.3-138.2 -67.4 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