==== 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 4IFK . 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) . 24628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 37 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.6 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 6 1 1 2 3 0 1 3 2 2 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 9 4 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 0 PARALLEL BRIDGES PER LADDER . 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 4 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 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 0 233 0, 0.0 2,-0.2 0, 0.0 321,-0.1 0.000 360.0 360.0 360.0 50.1 -13.3 16.0 96.2 2 4 A P - 0 0 42 0, 0.0 2,-0.6 0, 0.0 323,-0.1 -0.473 360.0-127.4 -75.5 140.4 -12.8 12.3 97.2 3 5 A R - 0 0 59 66,-0.3 69,-2.0 -2,-0.2 68,-1.3 -0.764 32.7-163.2 -81.9 118.9 -15.5 9.8 96.6 4 6 A I E -a 72 0A 1 316,-2.7 2,-0.6 -2,-0.6 285,-0.2 -0.911 18.5-166.1-113.9 123.4 -16.0 8.0 100.0 5 7 A D E -a 73 0A 0 67,-2.4 69,-2.6 -2,-0.5 285,-0.2 -0.928 10.5-179.5-100.4 114.7 -17.7 4.7 100.6 6 8 A M + 0 0 1 283,-2.5 2,-0.4 -2,-0.6 284,-0.2 0.324 60.2 65.8-101.9 10.9 -18.3 4.5 104.4 7 9 A H + 0 0 0 282,-0.2 285,-2.1 2,-0.0 284,-0.8 -0.827 65.1 116.4-137.9 95.4 -20.0 1.2 104.7 8 10 A S B -c 293 0B 0 66,-0.5 68,-1.9 -2,-0.4 2,-0.3 -0.944 43.3-134.6-151.7 168.1 -18.0 -1.9 103.9 9 11 A H E -d 76 0C 1 284,-2.2 2,-0.3 -2,-0.3 68,-0.2 -0.893 10.8-170.7-130.7 157.0 -16.6 -5.0 105.6 10 12 A F E -d 77 0C 4 66,-1.7 68,-1.0 -2,-0.3 46,-0.2 -0.867 9.9-152.0-133.7 167.9 -13.4 -7.0 105.8 11 13 A F - 0 0 0 44,-1.5 66,-0.0 -2,-0.3 -2,-0.0 -0.954 21.7-126.4-144.9 130.7 -12.6 -10.3 107.3 12 14 A P - 0 0 7 0, 0.0 2,-1.9 0, 0.0 45,-0.1 -0.268 27.6-102.0 -76.0 158.1 -9.1 -11.2 108.6 13 15 A R + 0 0 151 43,-0.2 2,-0.4 16,-0.1 16,-0.0 -0.557 57.2 166.6 -75.5 77.0 -6.9 -14.2 107.7 14 16 A I - 0 0 2 -2,-1.9 16,-2.3 4,-0.0 2,-0.2 -0.819 28.3-136.1 -95.5 135.5 -7.7 -16.2 110.8 15 17 A S > - 0 0 57 -2,-0.4 4,-2.5 14,-0.2 5,-0.2 -0.482 19.1-117.3 -84.5 159.9 -6.8 -19.9 110.9 16 18 A E H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.900 116.3 52.0 -59.3 -40.2 -9.1 -22.6 112.2 17 19 A Q H > S+ 0 0 149 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.864 110.3 47.9 -70.3 -36.2 -6.6 -23.5 114.9 18 20 A E H >> S+ 0 0 36 2,-0.2 3,-0.8 1,-0.2 4,-0.5 0.923 112.2 48.3 -68.1 -47.0 -6.3 -19.8 116.0 19 21 A A H >X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 3,-1.1 0.857 104.4 62.8 -61.0 -34.2 -10.1 -19.4 116.1 20 22 A A H 3< S+ 0 0 46 -4,-2.2 4,-0.5 1,-0.3 -1,-0.2 0.784 91.2 64.7 -62.1 -28.8 -10.3 -22.7 118.1 21 23 A K H << S+ 0 0 156 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.784 112.6 35.6 -64.1 -27.2 -8.3 -21.1 120.9 22 24 A F H << S- 0 0 29 -3,-1.1 2,-0.3 -4,-0.5 -2,-0.2 0.917 142.3 -17.4 -89.2 -60.7 -11.2 -18.8 121.4 23 25 A D X - 0 0 36 -4,-2.4 4,-2.0 1,-0.1 21,-0.2 -0.810 49.0-156.3-154.7 110.7 -14.2 -21.0 120.7 24 26 A A T 4 S+ 0 0 61 -4,-0.5 -4,-0.1 -2,-0.3 21,-0.1 0.700 99.0 31.7 -58.5 -20.7 -14.0 -24.3 118.8 25 27 A N T 4 S+ 0 0 111 19,-0.1 -1,-0.2 -6,-0.1 21,-0.1 0.783 129.2 27.1-106.9 -35.0 -17.7 -23.9 117.8 26 28 A H T 4 S+ 0 0 106 -7,-0.1 -2,-0.2 17,-0.1 57,-0.1 0.412 85.7 103.7-119.3 3.6 -18.5 -20.2 117.5 27 29 A A < - 0 0 1 -4,-2.0 17,-0.8 -8,-0.1 2,-0.1 -0.775 66.7-134.5 -86.8 119.8 -15.2 -18.4 116.5 28 30 A P E +E 43 0D 0 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.433 29.1 173.5 -73.1 146.2 -15.3 -17.5 112.8 29 31 A W E -E 42 0D 20 13,-1.9 13,-3.2 -2,-0.1 2,-0.6 -0.891 29.0-107.2-142.8 175.3 -12.2 -18.2 110.7 30 32 A L E -E 41 0D 12 -16,-2.3 2,-0.6 -2,-0.3 11,-0.2 -0.921 19.0-167.8-117.3 121.4 -11.4 -18.0 107.0 31 33 A Q E -E 40 0D 90 9,-3.0 9,-2.6 -2,-0.6 2,-0.4 -0.921 14.2-160.1-100.0 124.1 -10.8 -20.9 104.7 32 34 A V E -E 39 0D 40 -2,-0.6 7,-0.2 7,-0.2 20,-0.0 -0.856 18.5-116.2-106.3 141.9 -9.3 -19.8 101.4 33 35 A S > - 0 0 44 5,-2.4 3,-0.5 -2,-0.4 -1,-0.1 -0.126 32.4 -99.3 -69.1 170.2 -9.5 -22.0 98.2 34 36 A A T 3 S+ 0 0 117 1,-0.2 -1,-0.1 2,-0.1 5,-0.0 0.833 124.3 39.3 -62.5 -36.4 -6.5 -23.6 96.5 35 37 A K T 3 S- 0 0 175 3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.475 106.4-132.4 -96.4 -3.9 -6.3 -20.9 93.8 36 38 A G S < S+ 0 0 18 -3,-0.5 -2,-0.1 2,-0.2 3,-0.1 0.552 75.6 105.6 78.0 15.1 -7.1 -18.1 96.2 37 39 A D S S+ 0 0 75 1,-0.1 16,-2.5 15,-0.1 2,-0.3 0.718 86.2 25.9 -96.3 -24.1 -9.8 -16.0 94.6 38 40 A T E + F 0 52D 66 14,-0.3 -5,-2.4 15,-0.1 2,-0.3 -0.844 65.6 152.3-131.8 168.4 -12.7 -17.3 96.7 39 41 A G E -EF 32 51D 9 12,-2.6 12,-3.3 -2,-0.3 2,-0.4 -0.941 31.6-104.4-172.7-170.4 -13.2 -18.8 100.1 40 42 A S E -EF 31 50D 20 -9,-2.6 -9,-3.0 -2,-0.3 2,-0.4 -0.997 16.7-128.3-138.0 140.4 -15.5 -19.3 103.0 41 43 A I E -EF 30 49D 0 8,-2.8 7,-2.6 -2,-0.4 8,-1.7 -0.736 41.0-161.5 -76.6 136.6 -16.0 -17.9 106.5 42 44 A M E -EF 29 47D 10 -13,-3.2 -13,-1.9 -2,-0.4 2,-0.4 -0.838 24.6-157.3-122.3 161.2 -16.2 -20.9 108.8 43 45 A M E > S-EF 28 46D 37 3,-2.6 3,-2.0 -2,-0.3 2,-0.3 -0.918 76.2 -43.4-136.7 107.4 -17.5 -21.6 112.3 44 46 A G T 3 S- 0 0 9 -17,-0.8 -19,-0.1 -2,-0.4 -15,-0.1 -0.579 122.4 -32.0 64.1-131.4 -15.8 -24.7 113.7 45 47 A K T 3 S+ 0 0 157 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.384 119.2 107.6 -95.5 2.6 -15.9 -27.2 110.8 46 48 A N E < S-F 43 0D 117 -3,-2.0 -3,-2.6 -21,-0.1 2,-0.3 -0.616 73.1-123.5 -85.3 136.7 -19.1 -25.7 109.6 47 49 A N E +F 42 0D 99 -2,-0.3 -5,-0.2 -5,-0.2 -2,-0.1 -0.614 31.7 174.0 -71.4 133.9 -19.3 -23.5 106.5 48 50 A F E - 0 0 99 -7,-2.6 -6,-0.2 -2,-0.3 -1,-0.2 0.779 57.6 -12.1-110.5 -41.9 -20.9 -20.2 107.3 49 51 A R E -F 41 0D 74 -8,-1.7 -8,-2.8 2,-0.0 -1,-0.3 -0.934 57.5-118.4-166.7 134.6 -20.7 -18.0 104.2 50 52 A P E +F 40 0D 79 0, 0.0 2,-0.3 0, 0.0 -10,-0.3 -0.580 41.1 173.7 -72.4 134.1 -19.0 -17.9 100.7 51 53 A V E -F 39 0D 13 -12,-3.3 -12,-2.6 -2,-0.3 2,-0.3 -0.930 20.4-134.0-135.4 163.2 -16.7 -14.9 100.3 52 54 A Y E > -F 38 0D 77 -2,-0.3 3,-2.3 -14,-0.2 4,-0.4 -0.771 36.0 -89.7-119.6 175.0 -14.3 -13.6 97.7 53 55 A Q G >> S+ 0 0 41 -16,-2.5 4,-2.6 1,-0.3 3,-0.9 0.676 113.5 67.1 -55.4 -34.0 -10.8 -12.2 97.7 54 56 A A G 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 7,-0.1 0.761 92.0 66.6 -59.9 -24.6 -11.7 -8.5 98.2 55 57 A L G <4 S+ 0 0 1 -3,-2.3 -44,-1.5 1,-0.2 -1,-0.2 0.904 121.1 13.5 -62.6 -41.4 -13.0 -9.3 101.6 56 58 A W T <4 S+ 0 0 14 -3,-0.9 -2,-0.2 -4,-0.4 -43,-0.2 0.592 112.6 77.7-112.5 -14.4 -9.5 -10.3 103.0 57 59 A D X - 0 0 38 -4,-2.6 4,-2.3 1,-0.1 5,-0.1 -0.869 50.6-172.8-108.7 107.8 -7.0 -9.0 100.4 58 60 A P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.824 85.8 54.2 -71.0 -33.0 -6.3 -5.2 100.5 59 61 A A H > S+ 0 0 45 2,-0.2 4,-1.5 1,-0.2 -5,-0.1 0.961 113.2 44.1 -61.4 -50.4 -4.2 -5.1 97.3 60 62 A F H > S+ 0 0 53 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.880 111.5 53.1 -61.0 -42.8 -7.0 -6.8 95.4 61 63 A R H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-0.5 0.937 104.7 55.7 -59.9 -45.9 -9.6 -4.5 97.0 62 64 A I H X S+ 0 0 18 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.875 103.5 55.4 -51.9 -41.4 -7.7 -1.4 96.0 63 65 A E H X S+ 0 0 137 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.875 110.8 44.8 -60.8 -37.4 -7.8 -2.7 92.4 64 66 A E H X S+ 0 0 56 -4,-1.4 4,-1.0 -3,-0.5 -2,-0.2 0.813 109.2 54.9 -76.4 -30.8 -11.6 -2.9 92.6 65 67 A M H X>S+ 0 0 3 -4,-2.3 5,-2.6 2,-0.2 4,-0.7 0.915 107.5 51.5 -65.0 -43.6 -11.9 0.5 94.3 66 68 A D H ><5S+ 0 0 89 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.916 109.0 50.3 -55.3 -45.7 -9.9 2.0 91.4 67 69 A A H 3<5S+ 0 0 91 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.712 114.0 44.6 -70.3 -19.7 -12.4 0.3 89.0 68 70 A Q H 3<5S- 0 0 53 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.434 112.5-116.8 -99.1 -3.5 -15.4 1.8 90.9 69 71 A G T <<5 + 0 0 32 -3,-0.9 2,-0.7 -4,-0.7 -66,-0.3 0.694 61.3 153.8 73.0 18.4 -13.9 5.2 91.2 70 72 A V < - 0 0 1 -5,-2.6 -1,-0.2 -6,-0.2 -66,-0.1 -0.704 22.2-178.9 -84.3 118.3 -13.8 4.9 95.0 71 73 A D S S+ 0 0 71 -68,-1.3 2,-0.4 -2,-0.7 -67,-0.2 0.922 70.2 18.6 -79.3 -47.6 -11.0 7.1 96.5 72 74 A V E -a 4 0A 10 -69,-2.0 -67,-2.4 -7,-0.1 2,-0.4 -0.993 64.9-168.5-128.2 132.7 -11.5 6.3 100.2 73 75 A Q E -ab 5 113A 1 39,-3.1 41,-2.8 -2,-0.4 2,-0.5 -0.985 10.2-153.9-120.1 130.5 -13.2 3.3 101.8 74 76 A V E - b 0 114A 2 -69,-2.6 -66,-0.5 -2,-0.4 2,-0.3 -0.894 25.3-177.5 -94.9 129.6 -14.1 2.9 105.5 75 77 A T E + b 0 115A 0 39,-2.7 41,-1.9 -2,-0.5 2,-0.3 -0.930 7.8 176.1-132.1 149.7 -14.3 -0.7 106.3 76 78 A C E -d 9 0C 1 -68,-1.9 -66,-1.7 -2,-0.3 41,-0.1 -0.906 39.8 -54.3-147.1 174.4 -15.2 -2.7 109.5 77 79 A A E -d 10 0C 2 39,-0.4 -66,-0.1 -2,-0.3 -1,-0.1 -0.125 50.8-114.8 -51.2 139.5 -15.7 -6.1 110.9 78 80 A T > - 0 0 1 -68,-1.0 3,-2.4 1,-0.1 4,-0.1 -0.650 36.9-116.5 -66.2 137.1 -18.2 -8.5 109.3 79 81 A P G > S+ 0 0 21 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.730 110.6 71.7 -59.4 -28.8 -20.8 -8.8 112.1 80 82 A V G 3 S+ 0 0 30 1,-0.3 3,-0.4 2,-0.1 -3,-0.0 0.764 93.0 62.1 -54.9 -20.9 -20.2 -12.6 112.6 81 83 A M G < S+ 0 0 0 -3,-2.4 -1,-0.3 1,-0.2 17,-0.1 0.565 77.5 92.3 -78.2 -8.3 -16.9 -11.4 114.2 82 84 A F < - 0 0 2 -3,-2.4 -1,-0.2 -4,-0.1 39,-0.2 0.876 62.6-165.8 -60.9 -45.0 -18.7 -9.4 117.0 83 85 A G > + 0 0 6 -3,-0.4 3,-1.3 -4,-0.3 -1,-0.1 0.838 25.4 156.8 63.0 37.7 -18.8 -12.1 119.6 84 86 A Y T 3 + 0 0 10 1,-0.3 -1,-0.1 37,-0.1 7,-0.0 0.658 69.4 55.2 -70.2 -15.3 -21.3 -10.4 121.9 85 87 A T T 3 S+ 0 0 124 2,-0.1 -1,-0.3 6,-0.0 3,-0.1 0.515 88.8 103.0 -92.6 -9.1 -22.4 -13.6 123.5 86 88 A W S < S- 0 0 21 -3,-1.3 36,-0.1 1,-0.1 -63,-0.0 -0.327 89.3 -81.1 -75.4 158.4 -18.9 -14.6 124.6 87 89 A E > - 0 0 104 1,-0.1 4,-2.3 4,-0.1 5,-0.2 -0.329 50.6-116.9 -51.6 136.6 -17.4 -14.4 128.1 88 90 A A H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.837 107.4 46.5 -57.2 -45.1 -16.3 -10.8 128.5 89 91 A N H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 113.9 48.0 -67.6 -41.5 -12.6 -11.2 128.9 90 92 A K H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 112.1 51.2 -61.4 -38.7 -12.2 -13.6 126.0 91 93 A A H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.868 108.2 51.7 -69.0 -34.7 -14.4 -11.2 123.9 92 94 A A H X S+ 0 0 18 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.917 110.2 48.3 -66.8 -44.1 -12.1 -8.3 124.9 93 95 A Q H X S+ 0 0 122 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.898 113.0 49.5 -57.5 -43.2 -9.0 -10.3 123.8 94 96 A W H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.945 108.9 50.3 -64.3 -49.4 -10.8 -11.2 120.5 95 97 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 23,-0.3 0.886 110.0 51.7 -58.4 -39.0 -11.8 -7.5 119.8 96 98 A E H X S+ 0 0 84 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.897 111.9 46.1 -66.3 -38.7 -8.2 -6.4 120.3 97 99 A R H X S+ 0 0 82 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.941 114.1 47.3 -65.2 -49.1 -6.9 -9.1 117.9 98 100 A M H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.889 111.0 52.7 -59.0 -42.0 -9.6 -8.3 115.3 99 101 A N H X S+ 0 0 3 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.855 108.4 49.8 -66.9 -35.8 -8.8 -4.6 115.7 100 102 A D H X S+ 0 0 57 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.925 109.5 51.2 -63.7 -46.8 -5.1 -5.2 115.1 101 103 A F H X S+ 0 0 20 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.907 108.4 53.6 -53.0 -45.3 -5.9 -7.3 112.0 102 104 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.926 109.0 47.1 -57.0 -48.5 -8.0 -4.3 110.8 103 105 A L H X S+ 0 0 41 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.874 111.2 52.0 -61.2 -38.2 -5.0 -1.9 111.3 104 106 A E H < S+ 0 0 124 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.847 109.3 51.8 -62.7 -37.0 -2.8 -4.4 109.4 105 107 A F H >< S+ 0 0 14 -4,-2.2 3,-1.3 1,-0.2 4,-0.3 0.959 112.0 43.6 -65.4 -51.9 -5.4 -4.4 106.6 106 108 A A H >< S+ 0 0 8 -4,-2.5 3,-1.5 1,-0.2 7,-0.3 0.780 96.7 77.0 -64.6 -28.4 -5.4 -0.6 106.3 107 109 A A T 3< S+ 0 0 68 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.663 79.0 73.2 -62.2 -15.2 -1.6 -0.4 106.5 108 110 A H T < S- 0 0 96 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.942 130.3 -11.2 -58.8 -46.3 -1.5 -1.6 102.9 109 111 A N X> + 0 0 41 -3,-1.5 4,-2.5 -4,-0.3 3,-1.4 -0.532 68.0 178.0-154.6 83.7 -2.8 1.9 102.0 110 112 A P T 34 S+ 0 0 59 0, 0.0 -3,-0.1 0, 0.0 5,-0.1 0.645 81.3 64.2 -68.1 -14.7 -3.9 4.0 105.0 111 113 A Q T 34 S+ 0 0 139 1,-0.1 3,-0.1 -5,-0.1 -4,-0.1 0.824 118.4 23.3 -72.6 -31.6 -4.6 6.9 102.8 112 114 A R T <4 S+ 0 0 49 -3,-1.4 -39,-3.1 -6,-0.2 2,-0.5 0.613 118.8 60.8-108.8 -18.5 -7.4 5.0 100.9 113 115 A I E < +b 73 0A 2 -4,-2.5 2,-0.3 -7,-0.3 -39,-0.2 -0.958 61.1 178.4-117.5 116.0 -8.4 2.3 103.5 114 116 A K E -b 74 0A 45 -41,-2.8 -39,-2.7 -2,-0.5 2,-0.4 -0.834 12.7-148.9-111.4 152.0 -9.8 3.4 106.8 115 117 A V E -b 75 0A 2 23,-0.4 25,-2.6 -2,-0.3 26,-0.5 -0.931 9.5-154.6-126.5 147.2 -11.0 1.1 109.6 116 118 A L E -g 141 0E 2 -41,-1.9 -39,-0.4 -2,-0.4 26,-0.3 -0.883 27.3-128.9-108.5 152.0 -13.6 1.2 112.3 117 119 A A E -g 142 0E 1 24,-2.9 26,-2.6 -2,-0.3 2,-0.3 -0.525 5.9-134.3 -99.8 161.3 -13.1 -1.0 115.4 118 120 A Q - 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0 0 32 -8,-2.7 3,-0.4 1,-0.2 -1,-0.2 -0.518 41.0-150.2 -68.2 124.8 -56.7 8.8 110.9 632 302 B Q S S+ 0 0 107 -2,-0.3 2,-0.8 1,-0.3 -1,-0.2 0.944 92.6 34.0 -59.9 -52.4 -58.0 11.9 112.7 633 303 B K S > S- 0 0 154 -3,-0.1 3,-3.5 -233,-0.0 4,-0.4 -0.834 97.9-131.2-107.7 93.0 -59.5 13.4 109.6 634 304 B I T 3 S+ 0 0 6 -2,-0.8 -233,-0.3 -3,-0.4 -11,-0.1 -0.195 90.2 3.3 -52.0 110.2 -60.7 10.5 107.6 635 305 B G T 3> S+ 0 0 0 -13,-0.1 4,-2.3 -2,-0.1 -1,-0.3 0.364 95.3 121.9 95.9 -2.3 -59.4 10.9 104.0 636 306 B G H <> S+ 0 0 15 -3,-3.5 4,-2.0 1,-0.2 -2,-0.1 0.870 70.8 50.3 -61.3 -42.1 -57.5 14.1 104.9 637 307 B L H 4 S+ 0 0 26 -4,-0.4 -1,-0.2 2,-0.2 4,-0.1 0.965 113.6 44.2 -61.7 -53.5 -54.0 12.8 103.8 638 308 B V H >4 S+ 0 0 1 1,-0.2 3,-1.2 2,-0.2 5,-0.3 0.902 114.6 48.9 -58.0 -46.2 -55.2 11.6 100.4 639 309 B L H 3< S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.908 110.2 48.9 -64.7 -44.3 -57.3 14.7 99.6 640 310 B S T 3< S+ 0 0 97 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.289 95.0 107.9 -81.1 12.7 -54.6 17.2 100.5 641 311 B S S < S- 0 0 12 -3,-1.2 -3,-0.1 -4,-0.1 7,-0.1 -0.352 78.8-121.1 -85.1 168.5 -52.0 15.3 98.4 642 312 B N S S+ 0 0 149 -38,-0.1 2,-0.1 -2,-0.1 3,-0.1 -0.056 70.7 125.0 -97.8 30.7 -50.5 16.3 95.0 643 313 B L S S- 0 0 29 -5,-0.3 5,-0.1 1,-0.2 -35,-0.0 -0.421 70.3 -78.5 -83.7 165.7 -51.9 13.2 93.3 644 314 B G > - 0 0 38 -2,-0.1 4,-2.6 1,-0.1 -1,-0.2 -0.103 33.3-120.2 -59.9 159.0 -54.0 13.2 90.2 645 315 B E H > S+ 0 0 120 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.899 118.3 47.7 -68.2 -40.9 -57.7 14.0 90.4 646 316 B S H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 111.9 52.3 -63.4 -38.8 -58.5 10.6 88.9 647 317 B A H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.930 106.7 51.4 -63.8 -46.7 -56.1 9.1 91.4 648 318 B K H X S+ 0 0 28 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.870 111.1 49.1 -58.0 -37.4 -57.8 10.8 94.4 649 319 B D H X>S+ 0 0 62 -4,-1.7 5,-2.9 2,-0.2 4,-1.1 0.802 110.4 48.5 -77.7 -32.6 -61.2 9.5 93.3 650 320 B K H <>S+ 0 0 54 -4,-1.9 5,-2.5 3,-0.2 6,-0.6 0.965 116.4 43.2 -66.7 -53.1 -60.0 5.9 92.9 651 321 B I H <5S+ 0 0 0 -4,-2.4 -30,-2.6 1,-0.2 -2,-0.2 0.917 118.9 43.6 -57.4 -47.0 -58.3 5.9 96.3 652 322 B I H <5S- 0 0 6 -4,-2.4 -316,-2.7 -5,-0.3 -1,-0.2 0.748 142.9 -25.7 -71.4 -23.5 -61.2 7.7 98.1 653 323 B S T X5S+ 0 0 10 -4,-1.1 4,-2.4 -3,-0.3 -3,-0.2 0.483 117.7 71.2-157.0 -59.7 -64.0 5.7 96.5 654 324 B G H > S+ 0 0 0 -6,-0.6 4,-3.1 2,-0.2 5,-0.3 0.888 107.8 59.6 -60.1 -41.6 -63.1 0.0 97.1 657 327 B S H X>S+ 0 0 33 -4,-2.4 5,-2.1 -7,-0.2 4,-0.6 0.919 114.2 37.1 -49.5 -45.6 -66.4 0.2 95.1 658 328 B K H <5S+ 0 0 150 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.903 116.2 51.8 -75.7 -45.4 -64.9 -2.3 92.7 659 329 B F H <5S+ 0 0 4 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.919 125.3 25.1 -59.4 -47.4 -63.0 -4.4 95.2 660 330 B F H <5S- 0 0 8 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.433 106.4-119.0 -99.8 0.2 -66.0 -4.9 97.6 661 331 B N T <5 + 0 0 116 -4,-0.6 2,-0.4 -5,-0.3 -3,-0.2 0.996 52.8 164.2 49.7 75.1 -68.8 -4.5 94.9 662 332 B I < 0 0 6 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.976 360.0 360.0-123.6 131.2 -70.4 -1.5 96.5 663 333 B N 0 0 192 -2,-0.4 -1,-0.1 -220,-0.0 -6,-0.0 0.475 360.0 360.0-125.9 360.0 -72.9 0.9 94.8