==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-DEC-12 4IFO . COMPND 2 MOLECULE: 2-AMINO-3-CARBOXYMUCONATE 6-SEMIALDEHYDE DECARBOX . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR L.HUO,I.DAVIS,L.CHEN,A.LIU . 662 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 3 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 . 34 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.7 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 7 1 1 2 2 0 1 3 2 0 4 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 8 4 2 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 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 1 0 2 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 3 A K 0 0 222 0, 0.0 2,-0.0 0, 0.0 316,-0.0 0.000 360.0 360.0 360.0 -8.1 -36.9 62.1 40.6 2 4 A P - 0 0 62 0, 0.0 2,-0.5 0, 0.0 320,-0.1 -0.343 360.0-142.2 -71.4 154.1 -34.1 62.8 38.1 3 5 A R - 0 0 63 66,-0.1 69,-2.0 318,-0.1 68,-1.4 -0.974 14.1-172.1-125.1 120.7 -33.6 60.6 35.1 4 6 A I E -a 72 0A 6 316,-3.4 2,-0.7 -2,-0.5 285,-0.2 -0.953 7.4-163.8-114.9 120.2 -30.1 59.6 33.8 5 7 A D E -a 73 0A 0 67,-2.2 69,-3.0 -2,-0.5 285,-0.2 -0.898 9.1-179.8 -98.9 112.5 -29.8 57.7 30.5 6 8 A M E + 0 0 1 283,-2.8 2,-0.4 -2,-0.7 284,-0.2 0.316 62.5 64.2-102.4 10.9 -26.2 56.3 30.4 7 9 A H E + 0 0 0 282,-0.2 285,-2.7 2,-0.0 286,-1.1 -0.796 63.7 122.0-136.2 93.7 -26.3 54.5 27.0 8 10 A S E -ab 75 293A 0 66,-0.8 68,-1.0 -2,-0.4 2,-0.3 -0.966 41.7-138.2-144.4 162.3 -26.7 56.7 24.0 9 11 A H E -a 76 0A 1 284,-3.1 2,-0.3 -2,-0.3 68,-0.2 -0.833 13.6-174.2-123.5 156.8 -24.6 57.3 20.9 10 12 A F E -a 77 0A 3 66,-1.8 68,-1.0 -2,-0.3 46,-0.2 -0.904 11.9-153.3-139.1 168.1 -23.6 60.2 18.8 11 13 A F - 0 0 0 44,-1.8 2,-0.1 -2,-0.3 66,-0.0 -0.980 25.1-127.8-142.4 136.7 -21.8 61.0 15.5 12 14 A P - 0 0 6 0, 0.0 2,-2.2 0, 0.0 18,-0.1 -0.334 27.4 -95.3 -89.4 167.6 -19.9 64.2 14.8 13 15 A R + 0 0 156 43,-0.2 2,-0.5 88,-0.1 16,-0.0 -0.522 61.5 157.1 -73.9 74.4 -20.0 66.8 12.0 14 16 A I - 0 0 2 -2,-2.2 16,-2.7 4,-0.0 2,-0.1 -0.914 31.8-140.5-102.1 132.3 -17.1 65.3 10.0 15 17 A S > - 0 0 43 -2,-0.5 4,-2.2 14,-0.2 5,-0.2 -0.427 22.8-111.3 -85.7 162.1 -16.9 66.1 6.3 16 18 A E H > S+ 0 0 69 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.893 117.5 49.7 -59.1 -41.7 -15.9 63.7 3.5 17 19 A Q H > S+ 0 0 142 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.912 109.7 48.4 -65.3 -45.8 -12.7 65.7 2.9 18 20 A E H >> S+ 0 0 45 1,-0.2 4,-0.5 2,-0.2 3,-0.5 0.904 114.6 46.3 -64.8 -40.5 -11.5 65.8 6.5 19 21 A A H >X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 3,-1.0 0.823 103.2 65.7 -64.0 -33.7 -12.2 62.0 6.9 20 22 A A H 3< S+ 0 0 48 -4,-1.6 4,-0.4 1,-0.3 -1,-0.2 0.790 91.5 63.4 -59.5 -30.6 -10.3 61.6 3.6 21 23 A K H << S+ 0 0 177 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.832 111.1 36.8 -63.0 -33.8 -7.2 62.8 5.3 22 24 A F H << S- 0 0 27 -3,-1.0 2,-0.2 -4,-0.5 -2,-0.2 0.928 141.0 -18.9 -84.0 -54.1 -7.4 59.7 7.6 23 25 A D X - 0 0 37 -4,-2.6 4,-1.6 1,-0.1 21,-0.3 -0.787 45.6-156.5-161.3 116.3 -8.6 57.1 5.2 24 26 A A T 4 S+ 0 0 63 -4,-0.4 21,-0.2 -2,-0.2 -4,-0.1 0.778 100.7 30.9 -58.2 -28.9 -10.4 57.6 1.8 25 27 A N T 4 S+ 0 0 111 19,-0.2 -1,-0.2 -5,-0.1 21,-0.1 0.807 129.5 27.0-101.3 -34.2 -11.9 54.2 2.1 26 28 A H T 4 S+ 0 0 105 -7,-0.1 -2,-0.1 17,-0.1 57,-0.1 0.575 85.6 102.7-118.1 -14.6 -12.5 53.4 5.8 27 29 A A < - 0 0 1 -4,-1.6 17,-1.1 -8,-0.2 2,-0.1 -0.647 66.7-134.7 -73.3 120.1 -12.9 56.7 7.7 28 30 A P E +D 43 0B 0 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.415 29.2 176.4 -68.7 148.0 -16.6 57.3 8.5 29 31 A W E -D 42 0B 22 13,-2.0 13,-3.5 -2,-0.1 2,-0.5 -0.948 27.8-105.6-147.6 172.8 -18.1 60.7 7.9 30 32 A L E -D 41 0B 13 -16,-2.7 2,-0.6 -2,-0.3 11,-0.2 -0.881 20.0-170.0-113.1 122.8 -21.5 62.5 8.0 31 33 A Q E -D 40 0B 88 9,-3.1 9,-2.4 -2,-0.5 2,-0.3 -0.928 15.6-168.4-109.1 112.7 -23.6 63.5 5.1 32 34 A V E -D 39 0B 44 -2,-0.6 7,-0.2 7,-0.2 20,-0.0 -0.780 22.7-112.3-102.0 144.3 -26.5 65.8 6.1 33 35 A S - 0 0 30 5,-1.7 -1,-0.1 -2,-0.3 7,-0.0 -0.210 33.2-109.1 -58.6 161.8 -29.6 66.8 4.0 34 36 A A S S+ 0 0 116 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.835 122.6 51.0 -63.8 -33.5 -29.9 70.5 3.0 35 37 A K S S- 0 0 172 1,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.829 110.8-127.3 -71.6 -32.9 -32.8 70.9 5.5 36 38 A G S S+ 0 0 19 2,-0.1 -2,-0.1 0, 0.0 3,-0.1 0.721 82.3 97.2 92.4 26.6 -30.6 69.3 8.2 37 39 A D S S+ 0 0 56 15,-0.1 16,-1.7 16,-0.0 2,-0.2 0.745 74.5 48.2-114.0 -42.6 -33.1 66.6 9.3 38 40 A T E + E 0 52B 83 14,-0.2 -5,-1.7 15,-0.1 2,-0.3 -0.500 68.1 171.2 -90.6 170.6 -32.1 63.4 7.5 39 41 A G E -DE 32 51B 7 12,-1.1 12,-2.4 -7,-0.2 2,-0.3 -0.983 22.3-146.1-170.1 162.3 -28.5 62.1 7.4 40 42 A S E -DE 31 50B 17 -9,-2.4 -9,-3.1 -2,-0.3 2,-0.5 -0.985 16.0-136.3-143.2 133.8 -26.2 59.3 6.4 41 43 A I E -DE 30 49B 4 8,-2.9 7,-1.9 -2,-0.3 8,-0.7 -0.765 35.7-157.7 -78.6 131.6 -23.0 58.0 7.9 42 44 A M E -DE 29 47B 12 -13,-3.5 -13,-2.0 -2,-0.5 2,-0.5 -0.854 21.5-152.6-115.8 151.0 -20.7 57.3 5.0 43 45 A M E > S-DE 28 46B 46 3,-2.3 3,-1.7 -2,-0.3 -17,-0.1 -0.970 73.4 -50.5-116.6 110.4 -17.6 55.1 4.4 44 46 A G T 3 S- 0 0 8 -17,-1.1 -19,-0.2 -2,-0.5 -15,-0.1 -0.397 121.5 -22.7 58.0-135.7 -15.6 56.7 1.7 45 47 A K T 3 S+ 0 0 173 -21,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.078 123.3 96.7 -88.3 24.4 -17.8 57.5 -1.3 46 48 A N E < S-E 43 0B 121 -3,-1.7 -3,-2.3 -21,-0.1 2,-0.6 -0.868 78.6-113.8-122.6 147.1 -20.2 54.9 -0.1 47 49 A N E +E 42 0B 84 -2,-0.3 -5,-0.2 -5,-0.2 -2,-0.1 -0.676 35.7 170.2 -83.1 119.8 -23.4 54.9 1.9 48 50 A F E - 0 0 112 -7,-1.9 -6,-0.2 -2,-0.6 -1,-0.2 0.833 58.6 -12.2 -88.4 -92.0 -23.1 53.1 5.3 49 51 A A E -E 41 0B 33 -8,-0.7 -8,-2.9 0, 0.0 -1,-0.2 -0.953 59.9-125.2-123.8 133.4 -26.1 53.7 7.6 50 52 A P E +E 40 0B 101 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 -0.448 40.1 169.9 -63.3 140.8 -29.0 56.1 7.4 51 53 A V E -E 39 0B 23 -12,-2.4 -12,-1.1 -2,-0.1 2,-0.3 -0.908 21.9-122.7-148.8 167.8 -29.4 58.2 10.6 52 54 A Y E > -E 38 0B 84 -2,-0.3 3,-2.6 -14,-0.2 4,-0.4 -0.824 34.2 -88.4-128.6 172.7 -31.3 61.2 11.9 53 55 A Q G >> S+ 0 0 35 -16,-1.7 4,-3.6 1,-0.3 3,-0.6 0.627 112.8 66.5 -48.8 -32.7 -30.8 64.6 13.4 54 56 A A G 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 7,-0.1 0.774 93.9 63.5 -63.4 -25.3 -30.6 63.6 17.1 55 57 A L G <4 S+ 0 0 2 -3,-2.6 -44,-1.8 1,-0.1 -1,-0.2 0.884 123.7 12.5 -63.8 -42.1 -27.3 61.7 16.4 56 58 A W T <4 S+ 0 0 11 -3,-0.6 -2,-0.2 -4,-0.4 -43,-0.2 0.719 114.4 75.3-108.0 -31.2 -25.4 64.9 15.4 57 59 A D X - 0 0 45 -4,-3.6 4,-1.4 1,-0.2 -1,-0.1 -0.769 50.1-175.7 -96.2 106.0 -27.7 67.8 16.5 58 60 A P H > S+ 0 0 20 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.661 86.0 57.2 -70.6 -18.7 -27.6 68.4 20.3 59 61 A A H > S+ 0 0 40 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.932 110.2 42.5 -74.0 -48.7 -30.3 71.1 20.1 60 62 A F H > S+ 0 0 57 1,-0.2 4,-1.2 2,-0.2 -6,-0.2 0.781 114.8 54.0 -63.5 -28.4 -32.7 68.7 18.4 61 63 A R H X S+ 0 0 0 -4,-1.4 4,-2.5 -8,-0.2 5,-0.2 0.910 102.7 55.1 -73.2 -44.6 -31.5 66.1 21.0 62 64 A I H X S+ 0 0 18 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.918 108.2 48.3 -53.5 -49.5 -32.3 68.3 24.0 63 65 A E H X S+ 0 0 134 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.868 112.3 49.4 -61.7 -37.7 -35.9 68.8 22.9 64 66 A E H X S+ 0 0 55 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.852 111.3 49.2 -68.3 -33.6 -36.2 65.1 22.4 65 67 A M H X>S+ 0 0 1 -4,-2.5 5,-1.7 2,-0.2 4,-1.1 0.821 110.4 52.5 -71.7 -32.9 -34.7 64.6 25.9 66 68 A D H ><5S+ 0 0 92 -4,-2.6 3,-0.8 -5,-0.2 -2,-0.2 0.966 109.3 47.2 -64.0 -53.0 -37.3 67.1 27.1 67 69 A A H 3<5S+ 0 0 91 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.802 115.7 47.1 -55.2 -32.1 -40.2 65.2 25.5 68 70 A Q H 3<5S- 0 0 60 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.624 109.0-119.6 -90.2 -17.4 -38.9 61.9 27.0 69 71 A G T <<5 + 0 0 29 -4,-1.1 2,-0.6 -3,-0.8 -3,-0.2 0.653 61.5 146.1 83.0 17.4 -38.2 63.2 30.5 70 72 A V < - 0 0 1 -5,-1.7 -1,-0.3 -6,-0.2 3,-0.1 -0.801 25.6-176.6 -87.3 121.2 -34.5 62.5 30.5 71 73 A D S S+ 0 0 71 -68,-1.4 2,-0.4 -2,-0.6 -67,-0.2 0.873 70.9 23.0 -83.7 -43.4 -32.6 65.1 32.5 72 74 A V E -a 4 0A 18 -69,-2.0 -67,-2.2 -7,-0.1 2,-0.4 -0.988 66.9-166.8-132.9 123.6 -29.0 63.9 31.9 73 75 A Q E -ac 5 113A 0 39,-3.6 41,-3.2 -2,-0.4 2,-0.6 -0.928 9.2-154.5-112.9 134.2 -27.8 61.8 28.9 74 76 A V E + c 0 114A 2 -69,-3.0 -66,-0.8 -2,-0.4 2,-0.3 -0.932 24.9 179.2-101.9 121.3 -24.4 60.1 28.7 75 77 A T E +ac 8 115A 0 39,-3.4 41,-1.9 -2,-0.6 2,-0.3 -0.798 8.3 169.9-123.8 164.7 -23.4 59.7 25.1 76 78 A C E -a 9 0A 2 -68,-1.0 -66,-1.8 -2,-0.3 41,-0.1 -0.950 41.7 -46.2-163.6 174.0 -20.3 58.2 23.3 77 79 A A E -a 10 0A 4 39,-0.4 -66,-0.1 -2,-0.3 -1,-0.0 -0.044 48.7-116.6 -54.2 145.0 -19.0 57.2 19.9 78 80 A T > - 0 0 12 -68,-1.0 3,-2.7 1,-0.1 4,-0.1 -0.731 36.9-118.5 -70.3 133.4 -21.0 55.1 17.4 79 81 A P G > S+ 0 0 21 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.690 109.8 73.3 -57.8 -22.7 -18.8 52.0 17.2 80 82 A V G 3 S+ 0 0 31 1,-0.3 3,-0.3 2,-0.1 -3,-0.0 0.733 91.7 61.6 -61.4 -18.9 -18.2 52.5 13.5 81 83 A M G < S+ 0 0 1 -3,-2.7 -1,-0.3 1,-0.2 17,-0.1 0.473 77.7 92.8 -81.6 -4.5 -15.9 55.3 14.7 82 84 A F < - 0 0 2 -3,-2.1 -1,-0.2 -4,-0.1 39,-0.2 0.905 61.1-167.0 -62.2 -48.2 -13.6 53.0 16.6 83 85 A G > + 0 0 5 -4,-0.3 3,-1.1 -3,-0.3 39,-0.1 0.845 27.1 153.8 61.1 37.2 -11.0 52.3 13.9 84 86 A Y T 3 + 0 0 13 1,-0.2 -1,-0.1 37,-0.1 4,-0.1 0.601 69.0 57.1 -66.2 -17.5 -9.4 49.4 15.8 85 87 A T T 3 S+ 0 0 121 2,-0.1 -1,-0.2 6,-0.0 3,-0.1 0.484 91.1 99.0 -91.5 -8.0 -8.2 47.9 12.5 86 88 A W S < S- 0 0 31 -3,-1.1 2,-0.2 1,-0.1 36,-0.1 -0.241 90.8 -80.0 -79.9 166.0 -6.2 51.1 11.5 87 89 A E >> - 0 0 101 1,-0.1 4,-2.7 2,-0.0 3,-0.5 -0.483 51.2-119.9 -62.4 136.3 -2.5 51.9 11.8 88 90 A A H 3> S+ 0 0 21 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.838 105.9 47.3 -56.2 -49.5 -2.0 52.9 15.5 89 91 A N H 3> S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.828 114.8 48.8 -64.7 -33.5 -0.8 56.5 15.2 90 92 A K H <> S+ 0 0 66 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.961 112.6 47.6 -68.4 -50.9 -3.5 57.3 12.7 91 93 A A H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.866 109.9 53.2 -58.6 -38.6 -6.1 55.8 15.0 92 94 A A H X S+ 0 0 18 -4,-3.2 4,-2.1 -5,-0.2 -1,-0.2 0.924 109.1 48.7 -63.6 -42.0 -4.7 57.7 17.9 93 95 A Q H X S+ 0 0 122 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.916 113.8 47.5 -58.9 -46.5 -5.0 61.0 15.9 94 96 A W H X S+ 0 0 1 -4,-2.4 4,-3.7 2,-0.2 5,-0.3 0.948 107.8 54.3 -57.1 -55.5 -8.6 60.0 15.0 95 97 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 23,-0.3 0.894 111.7 45.8 -48.5 -47.4 -9.5 59.1 18.6 96 98 A E H X S+ 0 0 80 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.926 113.1 49.1 -63.7 -45.6 -8.3 62.5 19.8 97 99 A R H X S+ 0 0 75 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.940 114.0 46.5 -58.9 -48.0 -10.2 64.3 16.9 98 100 A M H X S+ 0 0 1 -4,-3.7 4,-2.0 1,-0.2 -2,-0.2 0.912 111.4 51.1 -59.9 -46.7 -13.4 62.3 17.7 99 101 A N H X S+ 0 0 4 -4,-2.7 4,-1.1 -5,-0.3 -1,-0.2 0.745 108.2 52.3 -67.1 -25.5 -13.1 63.0 21.5 100 102 A D H X S+ 0 0 56 -4,-1.8 4,-1.6 -3,-0.2 -1,-0.2 0.904 107.2 52.1 -74.2 -41.3 -12.7 66.7 20.8 101 103 A F H X S+ 0 0 15 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.898 106.7 55.6 -53.0 -44.3 -15.9 66.7 18.7 102 104 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.822 105.9 49.4 -60.7 -36.8 -17.6 65.0 21.7 103 105 A L H X S+ 0 0 47 -4,-1.1 4,-0.6 -3,-0.2 -1,-0.2 0.844 112.0 49.4 -67.5 -33.6 -16.6 67.8 24.0 104 106 A E H X S+ 0 0 129 -4,-1.6 4,-0.6 2,-0.2 -2,-0.2 0.801 110.0 50.7 -77.3 -32.1 -18.0 70.3 21.4 105 107 A F H >< S+ 0 0 13 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.928 112.4 46.3 -65.9 -47.5 -21.2 68.3 21.2 106 108 A A H >< S+ 0 0 9 -4,-2.0 3,-0.8 1,-0.2 7,-0.3 0.639 96.6 77.6 -68.7 -18.4 -21.5 68.4 25.0 107 109 A A H 3< S+ 0 0 63 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.864 78.4 69.1 -63.6 -37.7 -20.7 72.1 24.9 108 110 A H T << S- 0 0 92 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.847 131.3 -7.7 -47.5 -40.0 -24.2 72.9 23.7 109 111 A N X> + 0 0 38 -3,-0.8 4,-1.7 -4,-0.3 3,-0.9 -0.481 68.8 179.1-162.6 85.1 -25.3 71.9 27.3 110 112 A P T 34 S+ 0 0 62 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.411 79.5 58.2 -72.8 -2.9 -22.6 70.3 29.5 111 113 A Q T 34 S+ 0 0 129 -5,-0.1 3,-0.1 3,-0.1 220,-0.1 0.699 118.2 30.2 -96.1 -23.6 -24.9 69.8 32.6 112 114 A R T <4 S+ 0 0 49 -3,-0.9 -39,-3.6 1,-0.2 2,-0.5 0.601 117.7 59.9-105.9 -20.7 -27.4 67.6 30.8 113 115 A I E < +c 73 0A 2 -4,-1.7 2,-0.3 -7,-0.3 -39,-0.2 -0.946 62.2 177.7-120.1 114.8 -25.0 66.0 28.2 114 116 A K E -c 74 0A 47 -41,-3.2 -39,-3.4 -2,-0.5 2,-0.3 -0.853 13.0-148.9-114.7 148.4 -22.1 63.9 29.4 115 117 A V E -c 75 0A 3 23,-0.3 25,-2.5 -2,-0.3 26,-0.5 -0.877 8.8-150.5-123.1 151.5 -19.6 62.1 27.1 116 118 A L E -f 141 0C 3 -41,-1.9 -39,-0.4 -2,-0.3 26,-0.3 -0.890 27.2-123.9-111.3 149.6 -17.4 59.0 27.1 117 119 A A E -f 142 0C 1 24,-3.8 26,-3.0 -2,-0.3 2,-0.3 -0.509 10.3-139.2 -90.7 155.8 -14.1 58.9 25.2 118 120 A Q - 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0 0 44 1,-0.1 4,-2.6 -2,-0.0 -1,-0.1 -0.182 25.8-118.8 -63.0 164.9 -46.8 23.8 40.2 645 315 B E H > S+ 0 0 129 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.821 118.7 56.3 -73.4 -33.8 -47.2 20.0 40.4 646 316 B S H > S+ 0 0 68 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.949 110.8 44.1 -58.7 -49.8 -49.3 20.2 37.3 647 317 B A H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.924 110.5 54.4 -63.0 -48.5 -46.4 21.9 35.6 648 318 B K H X S+ 0 0 20 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.887 107.4 50.0 -51.3 -45.3 -43.8 19.4 37.0 649 319 B D H X>S+ 0 0 96 -4,-2.2 5,-2.8 2,-0.2 4,-2.0 0.849 110.7 49.1 -68.6 -34.5 -45.6 16.3 35.7 650 320 B K H <>S+ 0 0 52 -4,-1.4 5,-2.9 3,-0.2 6,-0.5 0.938 115.3 43.8 -66.9 -48.3 -45.9 17.8 32.2 651 321 B I H <5S+ 0 0 1 -4,-2.3 -30,-1.9 1,-0.2 5,-0.2 0.956 120.8 39.3 -62.7 -52.1 -42.2 18.7 32.0 652 322 B I H <5S- 0 0 2 -4,-2.9 -316,-2.9 -5,-0.2 -1,-0.2 0.837 144.2 -15.6 -66.8 -33.4 -40.9 15.4 33.6 653 323 B S T X5S+ 0 0 10 -4,-2.0 4,-1.5 -5,-0.3 -3,-0.2 0.655 118.5 66.8-139.0 -52.7 -43.4 13.1 31.8 654 324 B G H > S+ 0 0 1 -6,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.724 104.5 63.5 -78.3 -23.2 -42.5 14.0 26.0 657 327 B S H <>S+ 0 0 25 -4,-1.5 5,-2.5 -3,-0.3 -1,-0.2 0.890 115.0 31.5 -63.3 -42.6 -45.1 11.2 26.1 658 328 B K H <5S+ 0 0 124 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.858 116.8 56.5 -81.6 -40.8 -47.2 13.0 23.5 659 329 B F H <5S+ 0 0 1 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.944 125.5 21.4 -59.2 -51.4 -44.3 14.6 21.6 660 330 B F T <5S- 0 0 6 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.503 108.9-120.1 -91.5 -3.7 -42.5 11.3 20.9 661 331 B N T 5 + 0 0 111 1,-0.2 2,-0.4 -4,-0.2 -3,-0.2 0.995 57.2 154.3 48.8 71.5 -45.7 9.3 21.4 662 332 B I < 0 0 13 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.961 360.0 360.0-120.7 142.1 -44.4 7.2 24.3 663 333 B N 0 0 178 -2,-0.4 -1,-0.1 -5,-0.0 -6,-0.1 0.694 360.0 360.0-125.7 360.0 -46.8 5.6 26.8