==== 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 LYASE 13-MAR-02 1L6S . COMPND 2 MOLECULE: PORPHOBILINOGEN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.K.JAFFE,J.KERVINEN,J.MARTINS,F.STAUFFER,R.NEIER,A.WLODAWER . 646 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 2 0.3 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 . 49 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.5 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 0 0 3 3 2 0 1 3 4 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 8 3 5 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 1 A T 0 0 80 0, 0.0 2,-0.7 0, 0.0 463,-0.1 0.000 360.0 360.0 360.0 176.2 5.9 78.9 2.2 2 2 A D + 0 0 158 491,-0.1 2,-0.4 0, 0.0 491,-0.0 -0.912 360.0 148.6-112.9 102.4 2.9 77.1 3.6 3 3 A L - 0 0 24 -2,-0.7 3,-0.1 1,-0.1 489,-0.0 -0.998 25.9-174.7-132.8 125.2 2.6 77.7 7.4 4 4 A I S S+ 0 0 84 -2,-0.4 2,-0.5 1,-0.1 -1,-0.1 0.892 78.2 66.3 -83.8 -44.2 -0.8 77.8 9.1 5 5 A Q + 0 0 104 1,-0.0 -1,-0.1 553,-0.0 3,-0.1 -0.664 58.9 166.8 -83.1 115.7 0.8 78.7 12.4 6 6 A R > - 0 0 51 -2,-0.5 3,-2.5 1,-0.1 4,-0.3 -0.756 15.5-176.5-132.7 85.1 2.5 82.2 12.4 7 7 A P G > S+ 0 0 8 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.856 82.6 71.2 -47.0 -37.8 3.4 83.4 15.9 8 8 A R G >> S+ 0 0 32 1,-0.2 3,-2.0 2,-0.2 4,-0.5 0.734 76.9 80.1 -54.9 -24.3 4.5 86.7 14.2 9 9 A R G X4 S+ 0 0 139 -3,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.848 95.3 43.7 -52.8 -38.7 0.9 87.6 13.4 10 10 A L G <4 S+ 0 0 75 -3,-1.4 -1,-0.3 -4,-0.3 10,-0.2 0.333 107.2 62.8 -92.6 10.1 0.3 89.0 17.0 11 11 A R G <4 S+ 0 0 5 -3,-2.0 -1,-0.2 530,-0.2 -2,-0.2 0.417 70.5 102.0-107.2 -4.8 3.7 90.8 17.0 12 12 A K S << S+ 0 0 72 -3,-0.6 -2,-0.1 -4,-0.5 -1,-0.1 0.795 86.6 17.0 -53.6 -37.9 3.0 93.2 14.1 13 13 A S S > S- 0 0 39 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.928 73.8-112.6-137.6 162.4 2.2 96.4 16.2 14 14 A P H > S+ 0 0 96 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.849 119.7 53.7 -59.8 -35.3 2.7 97.8 19.8 15 15 A A H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.922 109.6 46.2 -66.0 -45.5 -1.1 97.6 20.2 16 16 A L H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 114.3 47.6 -63.8 -44.4 -1.2 93.9 19.2 17 17 A R H X S+ 0 0 38 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.880 110.7 52.4 -66.0 -34.4 1.7 93.0 21.5 18 18 A A H >< S+ 0 0 64 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.951 109.1 50.2 -65.1 -48.8 0.1 95.0 24.4 19 19 A M H 3< S+ 0 0 137 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.891 116.7 40.3 -54.1 -43.7 -3.1 93.0 23.9 20 20 A F H 3< S+ 0 0 92 -4,-2.0 2,-0.3 -10,-0.2 -1,-0.2 0.292 78.8 127.2 -93.1 8.4 -1.3 89.7 24.0 21 21 A E << - 0 0 80 -3,-1.1 527,-0.1 -4,-0.5 -3,-0.0 -0.515 43.7-160.8 -68.4 125.6 1.2 90.3 26.7 22 22 A E + 0 0 48 -2,-0.3 2,-0.4 523,-0.1 -1,-0.1 0.680 67.5 45.8 -83.8 -22.3 0.8 87.5 29.3 23 23 A T - 0 0 15 2,-0.0 2,-0.3 526,-0.0 524,-0.1 -0.966 60.8-170.3-128.4 139.5 2.5 89.1 32.3 24 24 A T - 0 0 101 -2,-0.4 2,-0.4 277,-0.1 -2,-0.0 -0.934 8.9-151.8-129.3 155.2 2.2 92.6 33.9 25 25 A L - 0 0 35 -2,-0.3 2,-0.3 276,-0.0 298,-0.2 -0.989 16.1-178.9-126.2 128.6 4.2 94.3 36.6 26 26 A S > - 0 0 42 -2,-0.4 3,-1.3 296,-0.1 4,-0.3 -0.775 44.6-106.8-122.5 171.1 2.8 97.0 38.9 27 27 A L G > S+ 0 0 9 296,-2.2 3,-1.7 -2,-0.3 46,-0.3 0.829 116.5 68.3 -63.6 -31.2 4.2 99.2 41.7 28 28 A N G 3 S+ 0 0 72 295,-0.3 -1,-0.3 1,-0.3 43,-0.0 0.621 88.0 63.6 -59.6 -23.1 2.1 96.9 44.1 29 29 A D G < S+ 0 0 21 -3,-1.3 279,-3.1 278,-0.1 2,-0.3 0.625 90.7 90.1 -79.1 -13.7 4.4 93.9 43.3 30 30 A L E < -a 308 0A 3 -3,-1.7 43,-0.5 -4,-0.3 44,-0.5 -0.660 51.9-169.7 -99.8 139.1 7.3 95.7 44.9 31 31 A V E -a 309 0A 2 277,-2.7 279,-2.7 -2,-0.3 44,-0.2 -0.973 23.0-136.2-117.9 131.3 8.7 95.7 48.4 32 32 A L E -e 75 0B 11 42,-2.8 44,-2.0 -2,-0.4 2,-0.4 -0.834 7.2-144.7 -96.5 116.7 11.4 98.3 49.2 33 33 A P E -e 76 0B 8 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.659 22.3-164.2 -76.6 129.6 14.5 97.2 51.3 34 34 A I E -e 77 0B 8 42,-3.0 44,-2.2 -2,-0.4 2,-0.5 -0.953 13.6-148.3-120.7 137.8 15.6 100.1 53.6 35 35 A F E -e 78 0B 4 18,-0.4 20,-3.0 -2,-0.4 2,-0.4 -0.935 16.9-173.8-104.3 120.6 18.9 100.5 55.5 36 36 A V E -ef 79 55B 0 42,-2.7 44,-2.4 -2,-0.5 2,-0.6 -0.977 5.6-162.7-118.0 122.9 18.6 102.5 58.8 37 37 A E E > -ef 80 56B 6 18,-2.6 20,-2.4 -2,-0.4 3,-0.5 -0.942 11.3-144.8-110.2 119.5 21.8 103.4 60.8 38 38 A E T 3 S+ 0 0 2 42,-1.2 3,-0.1 -2,-0.6 59,-0.0 -0.187 76.4 23.2 -72.3 170.3 21.4 104.4 64.4 39 39 A E T 3 S+ 0 0 129 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.769 97.5 108.2 41.8 40.0 23.6 107.0 66.1 40 40 A I < - 0 0 25 -3,-0.5 18,-0.5 1,-0.1 -1,-0.1 -0.959 51.7-156.9-136.5 163.4 24.6 108.9 62.8 41 41 A D S S+ 0 0 98 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.758 70.6 54.7-110.2 -37.0 23.7 112.3 61.3 42 42 A D S S- 0 0 129 13,-0.1 -1,-0.1 1,-0.0 12,-0.1 -0.813 85.0-108.6-106.9 144.9 24.3 112.1 57.6 43 43 A Y - 0 0 50 -2,-0.4 2,-0.5 13,-0.1 12,-0.2 -0.448 38.3-140.4 -60.8 137.6 23.0 109.7 55.0 44 44 A K E -J 54 0C 86 10,-1.2 10,-2.7 -2,-0.1 2,-0.2 -0.915 7.5-129.2-107.8 127.7 25.9 107.4 53.9 45 45 A A E -J 53 0C 73 -2,-0.5 2,-0.8 8,-0.2 8,-0.3 -0.522 13.3-137.0 -72.0 137.1 26.3 106.3 50.3 46 46 A V > - 0 0 6 6,-2.5 3,-1.1 3,-0.4 6,-0.4 -0.862 14.2-158.2 -92.8 111.3 26.8 102.6 49.8 47 47 A E T 3 S+ 0 0 160 -2,-0.8 -1,-0.2 1,-0.3 563,-0.1 0.861 89.6 52.2 -57.1 -41.9 29.6 102.5 47.1 48 48 A A T 3 S+ 0 0 5 1,-0.2 -1,-0.3 154,-0.2 155,-0.1 0.593 110.4 52.5 -71.4 -14.1 28.8 99.0 45.9 49 49 A M S X S- 0 0 0 -3,-1.1 3,-3.0 3,-0.2 -3,-0.4 -0.644 86.3-147.4-127.5 76.6 25.2 100.0 45.4 50 50 A P T 3 S+ 0 0 26 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.145 86.2 15.5 -43.1 113.6 25.2 103.3 43.2 51 51 A G T 3 S+ 0 0 68 1,-0.4 2,-0.3 -5,-0.2 -4,-0.1 0.156 100.9 107.8 103.8 -20.6 22.2 105.3 44.4 52 52 A V < + 0 0 19 -3,-3.0 -6,-2.5 -6,-0.4 -1,-0.4 -0.685 43.5 178.3 -93.9 147.1 21.5 103.5 47.7 53 53 A M E -J 45 0C 86 -2,-0.3 -18,-0.4 -8,-0.3 2,-0.4 -0.991 34.8-106.9-144.9 152.0 22.3 105.1 51.0 54 54 A R E -J 44 0C 38 -10,-2.7 -10,-1.2 -2,-0.3 -18,-0.2 -0.646 37.4-135.2 -78.8 133.3 22.0 104.3 54.7 55 55 A I E -f 36 0B 11 -20,-3.0 -18,-2.6 -2,-0.4 2,-0.2 -0.758 19.6-118.6 -88.0 129.9 19.1 106.4 56.2 56 56 A P E >> -f 37 0B 0 0, 0.0 3,-2.4 0, 0.0 4,-1.1 -0.521 16.6-127.2 -73.5 139.1 20.0 108.0 59.5 57 57 A E G >4 S+ 0 0 38 -20,-2.4 3,-0.8 1,-0.3 4,-0.5 0.882 112.3 59.8 -47.8 -37.4 17.7 106.8 62.2 58 58 A K G 34 S+ 0 0 118 -18,-0.5 -1,-0.3 -21,-0.3 3,-0.2 0.787 111.0 40.3 -64.8 -23.3 17.0 110.5 63.0 59 59 A H G X> S+ 0 0 44 -3,-2.4 4,-2.3 1,-0.1 3,-0.9 0.462 85.4 99.4-103.1 -1.3 15.7 110.9 59.4 60 60 A L H S+ 0 0 41 -4,-0.5 4,-0.8 1,-0.2 -1,-0.2 0.862 111.3 44.1 -57.5 -34.6 10.4 109.3 59.9 62 62 A R H <> S+ 0 0 134 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.855 114.7 47.7 -77.0 -41.6 11.0 111.6 56.9 63 63 A E H X S+ 0 0 23 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.931 109.7 51.3 -68.1 -46.0 12.2 108.8 54.6 64 64 A I H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.839 111.7 49.6 -61.8 -28.2 9.3 106.4 55.4 65 65 A E H X S+ 0 0 101 -4,-0.8 4,-2.2 -5,-0.3 -1,-0.2 0.917 110.6 50.2 -74.3 -41.9 6.9 109.3 54.7 66 66 A R H X S+ 0 0 99 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.922 112.7 45.6 -59.4 -47.8 8.7 109.9 51.4 67 67 A I H >X>S+ 0 0 2 -4,-2.7 5,-1.7 1,-0.2 3,-0.9 0.939 113.0 50.8 -60.4 -50.0 8.5 106.2 50.4 68 68 A A H ><5S+ 0 0 25 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.860 108.9 51.2 -59.5 -35.3 4.8 106.0 51.4 69 69 A N H 3<5S+ 0 0 131 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.710 101.1 62.5 -74.4 -22.1 4.0 109.2 49.3 70 70 A A H <<5S- 0 0 21 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.606 122.3-106.9 -76.2 -14.0 5.7 107.6 46.3 71 71 A G T <<5 + 0 0 39 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.495 68.9 150.0 98.8 7.2 3.1 104.9 46.5 72 72 A I < - 0 0 5 -5,-1.7 -1,-0.3 1,-0.1 -44,-0.1 -0.567 28.8-165.1 -72.2 132.3 5.3 102.1 47.8 73 73 A R + 0 0 149 -43,-0.5 40,-2.1 -46,-0.3 2,-0.3 0.687 61.1 24.7 -93.7 -21.0 3.2 99.8 49.9 74 74 A S E - g 0 113B 8 -44,-0.5 -42,-2.8 38,-0.2 2,-0.3 -0.997 55.2-166.2-148.9 149.8 5.8 97.8 51.9 75 75 A V E -eg 32 114B 0 38,-2.2 40,-2.3 -2,-0.3 2,-0.5 -0.882 15.6-143.3-130.3 160.7 9.3 98.0 53.2 76 76 A M E -eg 33 115B 0 -44,-2.0 -42,-3.0 -2,-0.3 2,-0.4 -0.996 28.4-138.8-122.2 119.7 11.8 95.4 54.6 77 77 A T E +eg 34 116B 1 38,-2.4 40,-1.4 -2,-0.5 2,-0.4 -0.669 22.6 178.6 -89.7 135.3 14.0 97.0 57.4 78 78 A F E -e 35 0B 3 -44,-2.2 -42,-2.7 -2,-0.4 2,-0.3 -0.997 14.5-151.5-130.8 123.3 17.7 96.4 57.8 79 79 A G E -e 36 0B 0 -2,-0.4 2,-0.7 -44,-0.2 -42,-0.2 -0.684 11.7-144.1-100.5 151.5 19.7 98.1 60.6 80 80 A I E -e 37 0B 9 -44,-2.4 -42,-1.2 -2,-0.3 2,-0.3 -0.958 34.2-140.3-107.6 116.3 23.4 99.1 60.8 81 81 A S + 0 0 20 41,-0.8 3,-0.2 -2,-0.7 -44,-0.0 -0.575 34.6 178.3 -89.2 140.3 24.4 98.4 64.4 82 82 A H S S+ 0 0 75 -2,-0.3 -1,-0.1 1,-0.2 41,-0.1 0.155 86.4 58.2-113.8 11.1 26.6 100.5 66.8 83 83 A H S S+ 0 0 83 2,-0.0 7,-0.3 5,-0.0 2,-0.2 -0.385 71.6 157.7-139.1 56.9 26.0 98.0 69.6 84 84 A T + 0 0 73 -3,-0.2 40,-0.2 40,-0.1 2,-0.2 -0.513 8.1 162.7 -81.1 149.2 27.2 94.6 68.3 85 85 A D B -k 124 0D 53 38,-2.1 40,-2.0 -2,-0.2 3,-0.4 -0.832 52.7 -73.4-148.6-170.6 28.1 91.7 70.6 86 86 A E S S+ 0 0 109 -2,-0.2 46,-0.4 38,-0.2 40,-0.2 0.844 128.3 26.7 -63.9 -36.6 28.7 87.9 70.5 87 87 A T S S- 0 0 51 44,-0.1 -1,-0.2 36,-0.1 37,-0.2 0.391 103.3-118.2-106.9 4.0 25.0 86.8 70.3 88 88 A G > + 0 0 0 35,-0.4 3,-1.9 -3,-0.4 4,-0.2 0.828 51.5 165.1 62.4 35.6 23.6 90.0 68.6 89 89 A S G > + 0 0 39 1,-0.3 3,-1.2 2,-0.2 7,-0.1 0.601 58.6 75.7 -60.3 -18.2 21.4 90.6 71.6 90 90 A D G > S+ 0 0 5 -7,-0.3 3,-1.1 33,-0.3 -1,-0.3 0.764 85.7 68.9 -64.9 -22.4 20.5 94.2 70.7 91 91 A A G < S+ 0 0 0 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.731 104.7 38.2 -68.3 -26.5 18.1 92.6 68.1 92 92 A W G < S+ 0 0 52 -3,-1.2 2,-0.5 -4,-0.2 -1,-0.2 0.130 86.4 121.3-111.4 22.4 15.8 91.3 70.9 93 93 A R S X S- 0 0 115 -3,-1.1 3,-2.7 1,-0.2 6,-0.4 -0.727 71.5-127.7 -81.8 126.9 16.1 94.4 73.1 94 94 A E T 3 S+ 0 0 143 -2,-0.5 -1,-0.2 1,-0.3 -4,-0.0 0.807 111.4 27.8 -47.4 -29.6 12.6 95.8 73.6 95 95 A D T 3 S+ 0 0 68 4,-0.1 -1,-0.3 5,-0.0 -4,-0.1 0.148 94.5 126.1-120.4 23.0 14.1 99.1 72.5 96 96 A G S <> S- 0 0 0 -3,-2.7 4,-2.5 -6,-0.2 3,-0.3 -0.174 80.0 -87.0 -73.3 173.3 17.0 98.0 70.2 97 97 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.831 126.9 55.1 -47.6 -44.0 17.5 99.2 66.6 98 98 A V H > S+ 0 0 1 -8,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.933 112.4 41.4 -58.1 -51.9 15.2 96.3 65.2 99 99 A A H > S+ 0 0 1 -6,-0.4 4,-2.8 -3,-0.3 -2,-0.2 0.904 115.5 52.0 -64.0 -41.1 12.2 97.3 67.4 100 100 A R H X S+ 0 0 37 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.861 104.1 54.9 -63.5 -42.1 12.8 101.1 66.8 101 101 A M H X S+ 0 0 2 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.919 114.0 41.9 -59.0 -44.7 12.9 100.8 63.0 102 102 A S H X S+ 0 0 0 -4,-1.4 4,-2.9 -5,-0.2 5,-0.3 0.967 113.6 52.5 -65.2 -52.5 9.5 99.1 63.1 103 103 A R H X S+ 0 0 61 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.913 111.6 46.1 -48.9 -54.8 8.1 101.5 65.7 104 104 A I H X S+ 0 0 30 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.940 114.4 46.9 -58.1 -48.5 9.1 104.6 63.7 105 105 A C H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 7,-0.2 0.938 117.0 41.9 -60.7 -51.7 7.8 103.3 60.4 106 106 A K H < S+ 0 0 40 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.803 115.1 50.3 -66.8 -33.0 4.4 102.2 61.8 107 107 A Q H < S+ 0 0 142 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.900 116.8 42.2 -71.1 -41.5 4.0 105.3 64.0 108 108 A T H < S+ 0 0 40 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.898 134.1 15.3 -71.0 -46.4 4.7 107.5 61.0 109 109 A V >< - 0 0 23 -4,-2.9 3,-2.4 -5,-0.2 -1,-0.3 -0.793 68.1-174.3-134.2 86.5 2.7 105.7 58.3 110 110 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.730 86.5 54.1 -52.4 -30.1 0.2 103.3 60.1 111 111 A E T 3 S+ 0 0 165 2,-0.1 2,-0.2 0, 0.0 -5,-0.1 0.529 81.9 113.0 -86.0 -6.7 -0.8 101.8 56.8 112 112 A M S < S- 0 0 4 -3,-2.4 2,-0.9 -7,-0.2 -38,-0.2 -0.459 71.3-129.5 -66.2 132.7 2.8 101.0 55.7 113 113 A I E -g 74 0B 63 -40,-2.1 -38,-2.2 -2,-0.2 2,-0.6 -0.790 29.0-161.2 -87.7 108.0 3.3 97.3 55.5 114 114 A V E -g 75 0B 0 -2,-0.9 45,-2.4 43,-0.3 46,-2.1 -0.810 12.6-172.6 -98.7 116.2 6.4 96.8 57.6 115 115 A M E -gh 76 160B 4 -40,-2.3 -38,-2.4 -2,-0.6 2,-0.7 -0.942 14.6-149.8-106.6 123.0 8.4 93.6 57.2 116 116 A S E -gh 77 161B 0 44,-2.8 46,-2.2 -2,-0.6 -38,-0.1 -0.836 15.0-128.1 -96.1 113.7 11.2 93.4 59.8 117 117 A D E - h 0 162B 12 -40,-1.4 2,-0.6 -2,-0.7 -38,-0.1 -0.390 25.7-151.3 -59.3 131.6 14.3 91.5 58.7 118 118 A T E + h 0 163B 0 44,-2.7 46,-1.4 -2,-0.1 47,-0.6 -0.787 46.3 88.4-117.0 89.3 14.9 88.8 61.4 119 119 A C - 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0 0 80 234,-0.5 4,-2.5 -2,-0.3 5,-0.2 -0.852 33.2-151.5 -95.1 113.0 19.8 101.0 29.1 289 289 A E H > S+ 0 0 58 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.878 89.7 46.5 -52.9 -48.9 19.1 100.9 32.8 290 290 A E H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.901 113.2 48.2 -64.5 -43.1 15.4 101.4 32.8 291 291 A K H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 114.8 46.5 -63.5 -42.0 14.8 98.9 30.0 292 292 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.905 111.4 50.6 -67.8 -41.4 16.9 96.3 31.8 293 293 A V H X S+ 0 0 3 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.954 113.1 45.1 -62.0 -51.8 15.3 96.9 35.3 294 294 A L H X S+ 0 0 49 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.876 114.2 49.1 -61.6 -37.9 11.8 96.5 34.0 295 295 A E H X S+ 0 0 16 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.908 113.6 47.5 -69.1 -37.5 12.7 93.4 32.0 296 296 A S H X S+ 0 0 20 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.950 115.3 42.9 -68.7 -49.6 14.4 91.9 35.0 297 297 A L H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.912 113.3 54.3 -63.3 -39.9 11.5 92.6 37.4 298 298 A G H X S+ 0 0 2 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.887 105.8 52.5 -60.3 -36.7 9.1 91.5 34.7 299 299 A S H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.914 105.5 53.9 -65.1 -40.9 10.9 88.2 34.4 300 300 A I H <>S+ 0 0 2 -4,-1.8 5,-2.0 1,-0.2 4,-0.3 0.878 111.7 45.6 -61.0 -40.5 10.6 87.6 38.1 301 301 A K H ><5S+ 0 0 44 -4,-1.8 3,-1.4 3,-0.2 -2,-0.2 0.900 110.7 53.7 -66.5 -44.2 6.8 88.1 37.9 302 302 A R H 3<5S+ 0 0 3 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.858 102.5 58.5 -59.2 -38.5 6.6 85.9 34.8 303 303 A A T 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -5,-0.1 -44,-0.2 0.601 131.0 -89.9 -68.2 -14.0 8.4 83.1 36.7 304 304 A G T < 5S+ 0 0 10 -3,-1.4 -38,-0.2 -4,-0.3 -3,-0.2 0.426 73.1 149.4 120.2 2.0 5.6 83.1 39.4 305 305 A A < - 0 0 2 -5,-2.0 -1,-0.3 1,-0.1 -38,-0.2 -0.428 27.3-168.2 -68.7 134.6 6.7 85.6 42.1 306 306 A D S S+ 0 0 71 -40,-3.1 2,-0.3 1,-0.3 -39,-0.2 0.834 78.0 22.3 -87.3 -37.5 3.8 87.4 43.8 307 307 A L E - d 0 267A 44 -41,-1.4 -39,-1.8 2,-0.0 2,-0.4 -0.970 68.7-156.3-129.7 146.5 6.1 90.0 45.5 308 308 A I E -ad 30 268A 0 -279,-3.1 -277,-2.7 -2,-0.3 2,-0.6 -0.985 11.4-144.0-127.3 125.4 9.5 91.2 44.6 309 309 A F E +ad 31 269A 0 -41,-2.5 -39,-2.6 -2,-0.4 2,-0.4 -0.780 37.0 170.5 -83.6 120.3 12.0 92.8 47.1 310 310 A S E > - d 0 270A 0 -279,-2.7 3,-1.7 -2,-0.6 4,-0.2 -0.938 42.8-155.7-146.3 125.4 13.8 95.4 45.0 311 311 A Y T 3 S+ 0 0 13 -41,-0.5 3,-0.4 -2,-0.4 4,-0.3 0.650 98.2 63.4 -66.3 -17.7 16.2 98.3 45.7 312 312 A F T 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.511 75.9 99.8 -83.3 -5.2 15.0 100.1 42.5 313 313 A A H <> S+ 0 0 0 -3,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.799 77.0 47.4 -57.5 -38.3 11.4 100.4 43.9 314 314 A L H > S+ 0 0 17 -3,-0.4 4,-3.0 2,-0.2 5,-0.2 0.915 114.0 46.8 -74.0 -38.7 11.5 104.0 45.1 315 315 A D H > S+ 0 0 57 -4,-0.3 4,-2.6 1,-0.2 6,-0.3 0.915 111.9 52.3 -63.7 -43.3 13.0 105.4 41.9 316 316 A L H <>S+ 0 0 8 -4,-2.4 5,-1.5 2,-0.2 6,-1.4 0.891 114.4 43.8 -57.6 -40.7 10.5 103.4 39.9 317 317 A A H ><5S+ 0 0 10 -4,-1.8 3,-1.8 -5,-0.2 -2,-0.2 0.968 115.8 43.7 -69.2 -56.4 7.7 104.9 42.0 318 318 A E H 3<5S+ 0 0 87 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.858 111.4 53.8 -60.8 -36.4 8.8 108.5 42.0 319 319 A K T 3<5S- 0 0 139 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.295 107.7-129.3 -83.1 13.8 9.7 108.5 38.3 320 320 A K T < 5S+ 0 0 82 -3,-1.8 -3,-0.2 2,-0.1 -2,-0.1 0.710 70.2 132.2 44.9 28.5 6.1 107.2 37.8 321 321 A I S - 0 0 53 -2,-0.6 3,-2.3 1,-0.1 4,-0.3 -0.823 15.9-172.8-131.5 86.7 17.3 69.3 59.7 331 7 B P G > S+ 0 0 8 0, 0.0 3,-1.1 0, 0.0 4,-0.1 0.831 82.3 70.6 -48.4 -32.1 18.4 70.3 56.2 332 8 B R G > S+ 0 0 30 1,-0.2 3,-2.0 2,-0.2 4,-0.5 0.691 75.0 82.6 -61.9 -20.3 21.6 71.7 57.7 333 9 B R G X S+ 0 0 134 -3,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.880 94.4 44.1 -53.6 -42.8 22.9 68.2 58.5 334 10 B L G < S+ 0 0 80 -3,-1.1 -1,-0.3 -4,-0.3 10,-0.2 0.346 107.7 61.7 -86.9 10.3 24.3 67.7 54.9 335 11 B R G < S+ 0 0 8 -3,-2.0 -1,-0.2 -118,-0.2 -2,-0.2 0.390 70.5 103.7-109.1 -1.3 25.7 71.3 54.9 336 12 B K S < S+ 0 0 71 -3,-0.8 -2,-0.1 -4,-0.5 -1,-0.1 0.784 85.9 13.6 -56.3 -33.5 28.3 70.9 57.8 337 13 B S S > S- 0 0 40 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.918 74.6-108.3-143.6 164.4 31.4 70.6 55.7 338 14 B P H > S+ 0 0 95 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.864 119.4 53.9 -60.0 -37.3 32.9 71.1 52.2 339 15 B A H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.918 109.9 45.7 -63.6 -46.3 33.0 67.3 51.7 340 16 B L H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.943 113.2 49.4 -61.9 -48.4 29.3 66.8 52.6 341 17 B R H < S+ 0 0 42 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.875 111.2 51.3 -58.8 -39.2 28.2 69.7 50.4 342 18 B A H >< S+ 0 0 66 -4,-2.0 3,-0.9 -5,-0.2 -1,-0.2 0.910 108.9 50.2 -63.1 -47.8 30.3 68.2 47.5 343 19 B M H 3< S+ 0 0 138 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.816 117.3 39.8 -60.7 -34.8 28.7 64.8 47.9 344 20 B F T 3< S+ 0 0 93 -4,-1.8 2,-0.3 -10,-0.2 -1,-0.2 0.311 78.9 127.6-102.8 10.8 25.2 66.2 47.9 345 21 B E < - 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