==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-SEP-05 2C19 . COMPND 2 MOLECULE: DELTA-AMINOLEVULINIC ACID DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.FRERE,M.NENTWICH,S.GACOND,D.W.HEINZ,R.NEIER, . 661 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.8 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 38 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.1 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 3 0 0 4 0 2 0 4 7 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 6 4 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 F 0 0 97 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.1 128.7 57.5 -16.7 2 4 A T - 0 0 113 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.913 360.0-167.2-116.8 103.0 130.2 58.9 -19.9 3 5 A P > - 0 0 56 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.699 24.7-148.0 -62.5 -18.7 129.4 57.1 -23.2 4 6 A A T 3 - 0 0 71 1,-0.3 -2,-0.0 2,-0.0 0, 0.0 0.739 53.4 -76.3 55.1 28.6 132.2 59.0 -24.9 5 7 A N T 3 S+ 0 0 164 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.719 73.7 175.0 61.2 24.7 130.2 59.1 -28.3 6 8 A R < + 0 0 107 -3,-1.5 2,-0.4 4,-0.1 -1,-0.2 -0.460 6.8 176.7 -64.9 126.4 131.1 55.4 -29.0 7 9 A A >> - 0 0 49 -2,-0.2 4,-2.3 572,-0.0 3,-0.9 -0.998 26.2 -79.4-137.7 136.2 129.3 54.4 -32.2 8 10 A Y T 34 S+ 0 0 69 -2,-0.4 4,-0.1 1,-0.3 504,-0.0 -0.455 106.6 24.5 -58.0 143.6 129.1 51.3 -34.4 9 11 A P T 34 S+ 0 0 57 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.988 125.0 49.4 -89.7 1.5 131.0 50.3 -36.5 10 12 A Y T <4 S+ 0 0 196 -3,-0.9 2,-0.6 1,-0.2 -2,-0.2 0.935 118.8 45.9 -63.0 -44.5 134.0 52.2 -35.0 11 13 A T < + 0 0 31 -4,-2.3 2,-0.5 4,-0.0 -1,-0.2 -0.901 69.1 169.3 -96.5 119.4 133.0 50.6 -31.7 12 14 A R > - 0 0 59 -2,-0.6 3,-1.9 -4,-0.1 4,-0.4 -0.939 20.0-161.5-126.9 106.0 132.2 46.9 -32.0 13 15 A L T 3> S+ 0 0 19 -2,-0.5 4,-0.7 1,-0.3 3,-0.2 0.680 84.9 71.1 -66.9 -14.4 131.9 45.4 -28.5 14 16 A R H 3> S+ 0 0 4 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.653 78.8 78.0 -70.8 -15.1 132.4 41.9 -30.0 15 17 A R H X4 S+ 0 0 128 -3,-1.9 3,-1.6 1,-0.2 4,-0.4 0.971 97.4 42.6 -61.3 -51.5 136.1 42.6 -30.7 16 18 A N H 34 S+ 0 0 83 -4,-0.4 3,-0.4 1,-0.3 -1,-0.2 0.794 113.9 54.4 -59.8 -28.2 137.1 42.0 -27.0 17 19 A R H 3< S+ 0 0 8 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.539 86.2 89.9 -77.2 -5.8 134.7 39.0 -27.0 18 20 A R S << S+ 0 0 83 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.2 0.873 92.2 21.2 -66.3 -41.7 136.5 37.5 -30.1 19 21 A D S > S- 0 0 70 -4,-0.4 4,-2.1 -3,-0.4 3,-0.4 -0.927 73.7-119.0-129.3 153.8 139.1 35.4 -28.3 20 22 A D H > S+ 0 0 87 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.856 110.5 58.9 -54.9 -41.9 139.6 34.0 -24.8 21 23 A F H > S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 110.1 42.2 -63.2 -40.0 142.8 36.0 -24.2 22 24 A S H > S+ 0 0 10 -3,-0.4 4,-2.0 2,-0.2 5,-0.2 0.884 112.3 52.7 -74.8 -39.6 141.0 39.4 -24.6 23 25 A R H X S+ 0 0 42 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.899 111.1 49.6 -56.8 -40.8 137.9 38.3 -22.7 24 26 A R H < S+ 0 0 164 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.892 109.8 50.6 -65.4 -44.1 140.3 37.3 -19.8 25 27 A L H < S+ 0 0 138 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.883 118.1 36.1 -60.5 -43.8 142.1 40.6 -19.9 26 28 A V H < S+ 0 0 63 -4,-2.0 -1,-0.2 -10,-0.2 -2,-0.2 0.660 81.7 130.5 -91.5 -14.5 139.0 42.8 -19.7 27 29 A R < - 0 0 87 -4,-1.6 539,-0.1 -5,-0.2 3,-0.1 -0.118 46.2-156.8 -42.2 117.0 137.0 40.4 -17.4 28 30 A E + 0 0 62 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.727 63.4 17.1 -81.6 -26.3 135.8 42.9 -14.7 29 31 A N - 0 0 44 2,-0.0 2,-0.3 538,-0.0 -1,-0.1 -0.991 56.5-173.4-148.2 150.7 135.3 40.4 -11.7 30 32 A V - 0 0 84 -2,-0.3 2,-0.3 282,-0.1 279,-0.0 -0.991 23.8-125.2-145.3 143.9 136.2 36.9 -10.5 31 33 A L + 0 0 12 -2,-0.3 2,-0.3 274,-0.1 278,-0.1 -0.673 32.6 176.9 -78.9 139.9 135.2 34.7 -7.7 32 34 A T > - 0 0 51 -2,-0.3 3,-1.7 1,-0.0 4,-0.1 -0.883 46.7-102.8-131.5 168.4 138.1 33.4 -5.5 33 35 A V G > S+ 0 0 37 -2,-0.3 3,-1.8 1,-0.3 295,-0.1 0.799 115.9 72.2 -59.0 -29.2 138.2 31.2 -2.4 34 36 A D G 3 S+ 0 0 127 1,-0.3 -1,-0.3 44,-0.1 -3,-0.0 0.686 94.3 55.2 -57.5 -21.4 139.0 34.4 -0.4 35 37 A D G < S+ 0 0 17 -3,-1.7 284,-3.2 283,-0.1 2,-0.4 0.423 89.7 103.1 -89.1 -3.3 135.3 35.4 -1.0 36 38 A L E < +a 319 0A 0 -3,-1.8 44,-0.8 282,-0.2 2,-0.4 -0.743 39.4 177.4-105.5 130.3 133.7 32.3 0.5 37 39 A I E -ab 320 80A 10 282,-2.7 284,-2.8 -2,-0.4 44,-0.2 -0.997 18.9-149.4-120.0 126.2 132.0 31.5 3.8 38 40 A L E - b 0 81A 12 42,-2.0 44,-2.0 -2,-0.4 2,-0.3 -0.862 6.5-150.1 -95.6 114.8 130.5 28.1 4.4 39 41 A P E - b 0 82A 4 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.608 19.6-164.8 -77.5 141.7 127.4 28.0 6.7 40 42 A V E - b 0 83A 10 42,-2.5 44,-2.4 -2,-0.3 2,-0.5 -0.989 18.2-134.8-132.3 137.9 127.3 24.6 8.6 41 43 A F E -cb 60 84A 3 18,-0.5 20,-2.6 -2,-0.4 2,-0.5 -0.840 25.6-156.3 -94.4 125.1 124.5 22.9 10.5 42 44 A V E -cb 61 85A 2 42,-2.2 44,-2.7 -2,-0.5 20,-0.2 -0.905 4.8-159.6-116.1 117.1 125.7 21.5 13.9 43 45 A L E -c 62 0A 11 18,-1.9 20,-0.6 -2,-0.5 2,-0.1 -0.492 19.6-120.1 -83.2 152.5 124.1 18.7 15.8 44 46 A D S S+ 0 0 54 42,-0.4 -1,-0.1 -2,-0.2 2,-0.1 -0.336 77.1 40.1 -70.7 171.2 124.4 17.8 19.5 45 47 A G S S- 0 0 40 -2,-0.1 18,-0.5 17,-0.1 19,-0.4 -0.350 89.9 -70.2 88.1-166.5 125.8 14.3 20.3 46 48 A V S S+ 0 0 103 1,-0.1 -2,-0.1 16,-0.1 -1,-0.0 -0.982 101.4 10.7-137.3 139.4 128.6 12.3 18.8 47 49 A N S S+ 0 0 116 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.853 84.8 149.5 63.0 39.0 128.9 10.5 15.4 48 50 A Q + 0 0 83 -3,-0.1 14,-2.4 -5,-0.1 2,-0.3 -0.896 17.0 165.3-109.7 130.8 125.8 12.2 14.0 49 51 A R E -D 61 0A 95 -2,-0.4 2,-0.4 12,-0.2 12,-0.2 -0.952 10.1-178.2-145.2 119.8 125.3 13.0 10.3 50 52 A E E -D 60 0A 70 10,-2.5 10,-3.1 -2,-0.3 2,-0.1 -0.982 19.0-137.6-129.4 125.8 121.8 13.8 8.9 51 53 A S E -D 59 0A 92 -2,-0.4 8,-0.2 8,-0.2 -2,-0.0 -0.344 13.8-140.6 -69.3 158.7 120.7 14.6 5.3 52 54 A I > - 0 0 8 6,-1.0 3,-1.8 3,-0.4 6,-0.3 -0.964 3.3-156.7-125.3 108.6 118.3 17.4 4.7 53 55 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 575,-0.1 0.890 94.7 50.9 -57.3 -39.9 115.7 16.5 2.0 54 56 A S T 3 S+ 0 0 6 1,-0.2 234,-0.1 157,-0.1 158,-0.1 0.452 114.6 46.0 -75.8 -1.3 115.1 20.3 1.2 55 57 A M S X S- 0 0 0 -3,-1.8 3,-2.2 3,-0.2 -3,-0.4 -0.596 86.7-153.6-136.8 73.4 118.9 20.9 0.8 56 58 A P T 3 S+ 0 0 15 0, 0.0 3,-0.1 0, 0.0 235,-0.1 -0.206 79.5 18.0 -58.1 132.0 120.2 18.0 -1.3 57 59 A G T 3 S+ 0 0 75 1,-0.3 2,-0.4 -5,-0.1 -6,-0.0 0.390 101.4 110.9 89.9 -3.1 123.9 17.3 -0.7 58 60 A V < - 0 0 19 -3,-2.2 -6,-1.0 -6,-0.3 2,-0.4 -0.909 47.6-167.3-106.8 133.8 123.9 19.2 2.7 59 61 A E E - D 0 51A 71 -2,-0.4 -18,-0.5 -8,-0.2 2,-0.4 -0.939 23.1-130.8-121.3 141.7 124.3 17.4 6.0 60 62 A R E -cD 41 50A 50 -10,-3.1 -10,-2.5 -2,-0.4 2,-0.4 -0.730 36.8-163.3 -76.7 137.9 123.8 18.3 9.7 61 63 A L E -cD 42 49A 10 -20,-2.6 -18,-1.9 -2,-0.4 -12,-0.2 -0.985 19.2-128.6-132.0 134.6 126.9 17.2 11.6 62 64 A S E > -c 43 0A 0 -14,-2.4 4,-2.3 -2,-0.4 3,-0.3 -0.289 44.3 -98.7 -67.5 167.4 127.8 16.6 15.3 63 65 A I H > S+ 0 0 20 -20,-0.6 4,-2.6 -18,-0.5 5,-0.2 0.875 123.0 54.5 -66.4 -37.6 130.9 18.4 16.5 64 66 A D H > S+ 0 0 45 -19,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.897 113.5 43.4 -59.4 -40.4 133.2 15.4 16.1 65 67 A Q H > S+ 0 0 21 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.855 110.2 55.7 -74.2 -34.0 132.1 15.0 12.5 66 68 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.914 104.7 53.9 -61.9 -44.0 132.4 18.8 11.9 67 69 A L H X S+ 0 0 44 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.886 110.1 46.9 -59.2 -42.9 136.0 18.7 13.0 68 70 A I H >X S+ 0 0 88 -4,-1.3 3,-0.9 2,-0.2 4,-0.6 0.940 113.9 46.0 -63.7 -50.8 136.8 16.0 10.5 69 71 A E H >X S+ 0 0 47 -4,-2.5 4,-1.4 1,-0.2 3,-1.1 0.889 104.0 64.3 -57.7 -39.7 135.0 17.7 7.5 70 72 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.3 -1,-0.2 0.755 86.4 72.9 -61.5 -25.3 136.7 21.0 8.4 71 73 A E H S+ 0 0 17 -4,-1.4 5,-1.8 2,-0.2 4,-0.3 0.937 111.7 44.5 -60.3 -43.6 137.5 23.0 4.1 74 76 A V H ><5S+ 0 0 59 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.947 111.9 51.8 -63.4 -48.0 140.7 24.4 5.6 75 77 A A H 3<5S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.814 106.6 54.2 -58.9 -34.0 142.9 22.6 2.9 76 78 A L T 3<5S- 0 0 10 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.499 118.8-114.3 -79.3 -4.8 140.7 24.0 0.1 77 79 A G T < 5 + 0 0 36 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.502 53.7 164.0 87.3 6.8 141.4 27.5 1.6 78 80 A I < - 0 0 4 -5,-1.8 -1,-0.2 1,-0.1 43,-0.2 -0.405 29.4-149.6 -57.4 117.1 137.8 28.5 2.7 79 81 A P + 0 0 54 0, 0.0 42,-2.5 0, 0.0 2,-0.3 0.806 62.6 2.5 -63.1 -32.2 138.5 31.5 5.1 80 82 A A E -be 37 121A 12 -44,-0.8 -42,-2.0 40,-0.2 2,-0.3 -0.992 52.7-139.1-156.4 157.3 135.5 31.0 7.5 81 83 A L E -be 38 122A 0 40,-2.8 42,-2.8 -2,-0.3 2,-0.6 -0.888 13.2-145.1-114.7 150.7 132.5 29.0 8.6 82 84 A A E -be 39 123A 2 -44,-2.0 -42,-2.5 -2,-0.3 2,-0.3 -0.974 25.0-143.0-112.6 112.9 129.2 30.4 9.8 83 85 A L E -b 40 0A 1 40,-2.7 42,-0.4 -2,-0.6 -42,-0.2 -0.636 19.8-178.0 -84.5 135.3 127.8 28.0 12.5 84 86 A F E -b 41 0A 4 -44,-2.4 -42,-2.2 -2,-0.3 2,-0.1 -0.891 17.2-149.0-129.2 99.9 124.1 27.2 12.9 85 87 A P E -b 42 0A 9 0, 0.0 2,-0.8 0, 0.0 -42,-0.2 -0.358 10.0-137.1 -67.9 145.7 123.3 25.0 15.8 86 88 A V - 0 0 13 -44,-2.7 -42,-0.4 -2,-0.1 131,-0.1 -0.906 30.1-144.4-103.6 96.9 120.3 22.5 15.6 87 89 A T - 0 0 11 -2,-0.8 5,-0.1 129,-0.4 -44,-0.0 -0.459 14.0-113.9 -71.2 126.7 118.8 23.1 19.0 88 90 A P > - 0 0 25 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.335 26.6-118.7 -55.8 142.9 117.2 20.1 20.8 89 91 A V G > S+ 0 0 116 1,-0.3 3,-1.9 2,-0.2 -2,-0.1 0.887 111.6 56.4 -53.5 -44.8 113.5 20.4 21.2 90 92 A E G 3 S+ 0 0 150 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.680 99.2 62.1 -68.7 -17.1 113.6 20.3 25.0 91 93 A K G < S+ 0 0 79 -3,-1.4 7,-0.4 41,-0.0 2,-0.3 0.364 80.8 101.5 -88.5 4.9 116.1 23.3 25.1 92 94 A K < + 0 0 19 -3,-1.9 2,-0.3 -4,-0.2 40,-0.3 -0.718 47.7 153.3 -91.2 143.7 113.6 25.7 23.5 93 95 A S B > -k 132 0B 33 38,-2.6 40,-0.6 -2,-0.3 3,-0.5 -0.928 56.6 -96.8-157.2 172.0 111.8 28.1 25.8 94 96 A L T 3 S+ 0 0 123 -2,-0.3 46,-0.2 1,-0.2 -1,-0.1 0.863 121.0 45.9 -65.6 -40.0 110.1 31.5 26.2 95 97 A D T 3 S- 0 0 89 44,-0.1 -1,-0.2 36,-0.1 37,-0.1 0.439 95.6-137.8 -88.0 -1.5 113.3 33.2 27.5 96 98 A A X + 0 0 0 -3,-0.5 3,-1.9 35,-0.4 4,-0.3 0.775 44.9 157.5 50.9 31.7 115.7 31.7 24.9 97 99 A A G > + 0 0 28 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.785 60.6 71.2 -59.0 -27.9 118.2 31.2 27.8 98 100 A E G > S+ 0 0 23 -7,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.775 80.4 78.1 -63.1 -22.4 120.0 28.4 25.8 99 101 A A G < S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.840 103.7 32.4 -49.6 -40.1 121.3 31.3 23.5 100 102 A Y G < S+ 0 0 57 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.223 83.7 132.1-110.4 13.4 123.9 32.2 26.2 101 103 A N X - 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0 0 30 -3,-2.1 2,-0.3 -91,-0.1 -3,-0.1 -0.050 40.1-152.4 -61.4 158.2 104.3 32.7 11.6 226 228 A N - 0 0 103 -4,-0.0 3,-0.2 1,-0.0 -1,-0.1 -0.860 19.5-146.0-128.9 166.6 105.9 35.7 9.9 227 229 A K >> + 0 0 4 -2,-0.3 4,-2.6 1,-0.1 3,-2.0 0.005 55.8 127.7-120.9 28.0 108.7 38.2 10.7 228 230 A A T 34 + 0 0 20 1,-0.3 -1,-0.1 2,-0.2 5,-0.1 0.657 64.6 64.1 -61.3 -21.9 107.1 41.2 8.9 229 231 A T T 34 S+ 0 0 25 -3,-0.2 -1,-0.3 123,-0.1 122,-0.2 0.480 124.2 11.1 -84.8 0.2 107.4 43.4 12.1 230 232 A Y T <4 S+ 0 0 0 -3,-2.0 -2,-0.2 1,-0.3 2,-0.1 0.572 110.1 73.4-139.5 -47.8 111.2 43.2 11.9 231 233 A Q S < S- 0 0 2 -4,-2.6 -1,-0.3 1,-0.1 -27,-0.2 -0.496 93.3 -94.3 -72.9 149.1 112.7 41.7 8.7 232 234 A M B -m 204 0D 0 -29,-2.1 -27,-3.6 -2,-0.1 -1,-0.1 -0.332 31.2-104.4 -75.4 143.3 112.3 44.2 5.8 233 235 A D > - 0 0 26 -29,-0.2 3,-2.0 1,-0.1 -1,-0.1 -0.507 29.1-132.3 -58.3 123.7 109.6 44.4 3.2 234 236 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 409,-0.1 0.710 103.4 63.9 -48.1 -27.8 111.0 42.8 -0.1 235 237 A A T 3 S+ 0 0 2 128,-0.1 2,-0.5 407,-0.0 -2,-0.1 0.581 85.0 93.2 -74.4 -13.4 109.6 45.8 -2.0 236 238 A N < + 0 0 4 -3,-2.0 125,-0.1 1,-0.2 -4,-0.0 -0.756 31.3 152.3-102.7 126.3 111.9 48.3 -0.2 237 239 A S S >> S+ 0 0 4 -2,-0.5 3,-1.0 2,-0.1 4,-0.8 0.773 74.9 52.4-114.8 -52.4 115.3 49.5 -1.5 238 240 A D H >> S+ 0 0 83 1,-0.2 3,-1.0 2,-0.2 4,-1.0 0.879 104.3 61.8 -51.1 -40.2 115.9 53.0 -0.1 239 241 A E H 3> S+ 0 0 25 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.787 94.0 62.2 -59.7 -34.9 115.1 51.6 3.4 240 242 A A H <> S+ 0 0 0 -3,-1.0 4,-2.3 1,-0.2 -1,-0.3 0.823 98.3 56.0 -62.5 -34.0 118.1 49.3 3.2 241 243 A L H S+ 0 0 3 -4,-2.0 5,-2.5 2,-0.2 4,-0.4 0.898 112.1 46.9 -67.1 -35.6 124.7 49.6 11.5 248 250 A L H ><5S+ 0 0 52 -4,-2.5 3,-1.5 3,-0.2 -1,-0.2 0.944 112.5 49.1 -65.7 -51.7 128.0 51.3 10.4 249 251 A A H 3<5S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.870 108.7 55.1 -49.0 -41.6 127.4 54.2 12.8 250 252 A E T 3<5S- 0 0 33 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.552 128.3 -96.7 -75.6 -7.6 126.7 51.6 15.5 251 253 A G T < 5 + 0 0 24 -3,-1.5 -54,-0.2 -4,-0.4 -3,-0.2 0.540 60.2 164.9 107.0 11.9 130.2 49.9 14.8 252 254 A A < - 0 0 11 -5,-2.5 -1,-0.2 1,-0.1 -54,-0.2 -0.326 26.3-157.7 -53.6 138.7 129.6 47.0 12.5 253 255 A D S S+ 0 0 66 -56,-2.2 2,-0.3 1,-0.3 -55,-0.2 0.709 81.3 18.1 -87.6 -26.0 132.9 45.7 10.9 254 256 A M E S-h 198 0A 29 -57,-1.7 -55,-2.4 22,-0.1 2,-0.4 -0.977 70.6-147.7-141.3 152.0 130.9 44.2 8.0 255 257 A V E -hi 199 278A 0 22,-2.2 24,-2.9 -2,-0.3 2,-0.4 -0.971 15.5-155.9-125.6 139.0 127.4 44.7 6.6 256 258 A M E -hi 200 279A 1 -57,-2.3 -54,-2.0 -2,-0.4 -55,-1.2 -0.905 11.2-152.9-122.9 143.1 125.3 42.0 5.0 257 259 A V E -hi 202 280A 0 22,-2.2 24,-2.1 -2,-0.4 -54,-0.2 -0.903 28.1-137.8-107.4 136.2 122.4 41.7 2.5 258 260 A K E S+h 203 0A 0 -56,-2.3 -54,-3.2 -2,-0.4 2,-0.2 -0.961 73.1 27.0-154.6 133.7 120.1 38.8 2.8 259 261 A P S S- 0 0 0 0, 0.0 23,-0.2 0, 0.0 22,-0.1 0.547 82.2-150.7 -62.8-169.1 118.7 36.9 0.8 260 262 A G S > S+ 0 0 0 21,-0.3 3,-2.1 -2,-0.2 7,-0.2 0.903 71.4 29.8-105.3 -83.2 121.2 37.1 -2.1 261 263 A M G > S+ 0 0 0 1,-0.3 3,-1.1 2,-0.2 333,-0.3 0.839 117.9 56.4 -60.2 -35.8 120.4 36.8 -5.8 262 264 A P G 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.592 115.8 41.0 -66.8 -5.4 116.8 38.1 -5.4 263 265 A Y G X> S+ 0 0 0 -3,-2.1 4,-1.6 1,-0.1 3,-0.8 -0.001 70.9 125.1-131.4 27.9 118.5 41.3 -3.8 264 266 A L H <> S+ 0 0 0 -3,-1.1 4,-2.2 327,-0.3 5,-0.1 0.800 74.7 59.5 -58.2 -33.4 121.6 41.9 -6.1 265 267 A D H 3> S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.857 104.1 50.8 -61.6 -40.0 120.4 45.5 -6.7 266 268 A I H <> S+ 0 0 1 -3,-0.8 4,-2.9 2,-0.2 -2,-0.2 0.879 107.8 52.3 -64.4 -41.5 120.6 46.1 -2.9 267 269 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 -7,-0.2 5,-0.3 0.942 110.2 49.8 -54.7 -47.9 124.1 44.7 -2.8 268 270 A R H X S+ 0 0 32 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.939 113.1 45.0 -59.7 -49.3 125.0 47.1 -5.6 269 271 A R H X S+ 0 0 50 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.930 113.3 50.2 -60.1 -46.9 123.4 50.1 -3.8 270 272 A V H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 5,-0.5 0.909 114.8 42.1 -61.3 -48.8 125.0 49.2 -0.4 271 273 A K H X S+ 0 0 35 -4,-2.5 4,-1.7 43,-0.2 -1,-0.2 0.909 116.0 50.9 -61.6 -44.2 128.6 48.9 -1.9 272 274 A D H < S+ 0 0 70 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.889 117.9 36.2 -61.8 -40.9 128.1 52.0 -4.1 273 275 A E H < S+ 0 0 93 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.865 129.1 27.1 -84.6 -39.6 127.0 54.3 -1.2 274 276 A F H < S- 0 0 42 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.701 75.9-150.4-101.8 -22.6 129.0 53.1 1.7 275 277 A R < + 0 0 199 -4,-1.7 -4,-0.1 -5,-0.5 -3,-0.1 0.881 53.2 134.7 53.4 41.3 132.2 51.6 0.3 276 278 A A S S- 0 0 12 -6,-0.3 2,-0.2 1,-0.0 -1,-0.2 -0.742 72.3 -70.7-119.9 160.6 132.4 49.3 3.3 277 279 A P - 0 0 67 0, 0.0 -22,-2.2 0, 0.0 2,-0.4 -0.413 61.4-159.9 -57.4 119.4 133.1 45.5 3.6 278 280 A T E -i 255 0A 0 -2,-0.2 39,-2.9 37,-0.2 40,-1.6 -0.871 12.8-173.9-117.3 132.0 129.9 44.1 2.0 279 281 A F E -ij 256 318A 27 -24,-2.9 -22,-2.2 -2,-0.4 2,-0.3 -0.840 5.1-165.1-126.2 158.5 128.6 40.6 2.5 280 282 A V E -ij 257 319A 0 38,-1.5 40,-2.7 -2,-0.3 2,-0.7 -0.997 15.6-136.7-147.7 139.1 125.7 38.6 1.0 281 283 A Y E - j 0 320A 0 -24,-2.1 2,-1.2 -2,-0.3 -21,-0.3 -0.887 5.2-154.0-102.9 111.6 123.9 35.4 2.0 282 284 A Q E - j 0 321A 0 38,-3.3 40,-0.5 -2,-0.7 41,-0.1 -0.754 39.4-139.9 -75.7 98.3 123.2 32.9 -0.8 283 285 A V > - 0 0 0 -2,-1.2 4,-2.5 38,-0.1 3,-0.5 -0.002 16.3-102.5 -74.0 165.9 120.3 31.5 1.2 284 286 A S H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.840 121.6 53.8 -46.6 -44.8 119.1 27.9 1.6 285 287 A G H > S+ 0 0 0 -77,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.863 109.3 48.9 -62.4 -37.5 116.2 28.5 -0.9 286 288 A E H > S+ 0 0 0 -3,-0.5 4,-1.8 -78,-0.3 -2,-0.2 0.912 112.7 47.5 -65.5 -46.0 118.7 29.7 -3.5 287 289 A Y H X S+ 0 0 1 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.954 113.8 48.0 -56.4 -52.7 120.9 26.7 -2.9 288 290 A A H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 5,-0.2 0.887 109.1 51.6 -59.4 -43.5 117.9 24.3 -3.1 289 291 A M H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.913 114.2 43.8 -66.5 -37.2 116.5 25.7 -6.3 290 292 A H H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.948 115.9 47.9 -66.3 -49.1 119.8 25.4 -8.1 291 293 A M H X S+ 0 0 16 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.939 110.6 51.5 -54.4 -53.6 120.5 22.0 -6.7 292 294 A G H X S+ 0 0 4 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.899 112.3 45.7 -50.2 -47.7 117.0 20.8 -7.7 293 295 A A H X>S+ 0 0 3 -4,-1.8 5,-2.6 -5,-0.2 6,-1.0 0.918 113.6 48.9 -67.6 -42.9 117.5 22.0 -11.3 294 296 A I H ><5S+ 0 0 21 -4,-2.7 3,-1.2 4,-0.2 -2,-0.2 0.937 112.3 48.5 -60.0 -47.9 121.0 20.5 -11.6 295 297 A Q H 3<5S+ 0 0 120 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.854 109.7 52.0 -66.1 -36.1 119.9 17.1 -10.2 296 298 A N H 3<5S- 0 0 72 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.569 116.0-116.7 -69.3 -12.9 116.8 17.0 -12.6 297 299 A G T <<5S+ 0 0 60 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.675 84.2 117.9 83.3 15.8 119.2 17.7 -15.5 298 300 A W S - 0 0 56 241,-0.4 3,-1.9 -2,-0.4 4,-0.2 -0.353 31.2-114.6 -66.2 150.4 124.3 22.6 -16.1 301 303 A E T > S+ 0 0 123 1,-0.3 3,-1.8 2,-0.2 4,-0.5 0.655 107.6 83.0 -61.9 -16.2 126.5 22.7 -13.0 302 304 A S T 3> S+ 0 0 70 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.687 71.7 76.1 -62.3 -18.5 128.1 25.8 -14.4 303 305 A V H <> S+ 0 0 0 -3,-1.9 4,-3.0 1,-0.2 -1,-0.3 0.761 84.2 67.4 -63.4 -24.8 125.2 27.8 -13.0 304 306 A I H <> S+ 0 0 1 -3,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.984 106.2 36.4 -59.9 -57.6 126.9 27.4 -9.6 305 307 A L H > S+ 0 0 53 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.815 115.7 56.9 -67.4 -29.6 129.9 29.6 -10.5 306 308 A E H X S+ 0 0 15 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.937 107.0 48.2 -62.4 -46.8 127.6 31.9 -12.5 307 309 A S H X S+ 0 0 0 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.870 116.0 44.5 -58.0 -38.1 125.4 32.5 -9.4 308 310 A L H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 3,-0.4 0.861 107.6 56.3 -78.4 -38.9 128.5 33.3 -7.3 309 311 A T H X S+ 0 0 25 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.866 100.4 62.5 -56.7 -37.7 130.2 35.5 -10.0 310 312 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.880 99.1 53.2 -55.3 -44.8 127.0 37.6 -9.9 311 313 A F H X>S+ 0 0 0 -4,-0.8 5,-2.8 -3,-0.4 4,-0.8 0.894 110.0 47.9 -60.7 -41.6 127.6 38.5 -6.2 312 314 A K H ><5S+ 0 0 34 -4,-1.3 3,-1.0 3,-0.2 -2,-0.2 0.950 112.4 47.9 -60.3 -51.2 131.1 39.7 -7.0 313 315 A R H 3<5S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.869 108.1 56.0 -57.5 -39.4 130.0 41.8 -10.0 314 316 A A H 3<5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -43,-0.2 0.680 128.3 -96.2 -69.2 -19.6 127.1 43.3 -7.8 315 317 A G T <<5S+ 0 0 10 -3,-1.0 2,-0.2 -4,-0.8 -37,-0.2 0.503 71.8 146.4 117.3 9.1 129.8 44.5 -5.3 316 318 A A < - 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0 0 107 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.979 360.0-155.8-118.4 116.9 122.0 61.6 3.0 337 5 B P > - 0 0 62 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.742 24.5-148.7 -63.3 -21.9 121.8 59.5 6.3 338 6 B A T 3 - 0 0 73 1,-0.3 -2,-0.0 -3,-0.0 0, 0.0 0.795 54.1 -76.1 58.0 30.3 120.6 62.8 8.0 339 7 B N T 3 S+ 0 0 165 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.711 74.5 176.9 57.6 24.4 122.2 61.7 11.3 340 8 B R < + 0 0 105 -3,-1.5 2,-0.4 4,-0.1 -1,-0.2 -0.391 6.5 177.9 -61.6 128.7 119.4 59.2 12.0 341 9 B A >> - 0 0 49 -2,-0.2 4,-2.4 -92,-0.0 3,-0.8 -0.992 25.0 -80.0-143.6 133.9 120.2 57.2 15.2 342 10 B Y T 34 S+ 0 0 69 -2,-0.4 4,-0.1 1,-0.3 -164,-0.0 -0.429 107.1 22.4 -52.4 139.9 118.7 54.6 17.5 343 11 B P T 34 S+ 0 0 55 0, 0.0 -1,-0.3 0, 0.0 -166,-0.0 -0.994 126.2 48.7 -89.3 -2.9 116.6 54.9 19.6 344 12 B Y T <4 S+ 0 0 195 -3,-0.8 2,-0.6 1,-0.2 -2,-0.2 0.925 119.3 47.2 -57.1 -46.5 115.1 58.2 18.1 345 13 B T < + 0 0 30 -4,-2.4 2,-0.4 4,-0.0 -1,-0.2 -0.905 68.1 168.5 -96.4 117.5 115.1 56.3 14.8 346 14 B R > - 0 0 60 -2,-0.6 3,-1.8 -4,-0.1 4,-0.4 -0.952 19.6-162.3-125.4 106.6 113.6 52.8 15.1 347 15 B L T 3> S+ 0 0 20 -2,-0.4 4,-0.6 1,-0.3 3,-0.3 0.649 85.7 70.0 -67.3 -13.0 113.0 51.4 11.6 348 16 B R H 3> S+ 0 0 4 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.665 77.9 78.8 -77.2 -15.9 110.7 48.8 13.1 349 17 B R H X4 S+ 0 0 131 -3,-1.8 3,-1.3 1,-0.2 4,-0.4 0.958 96.9 43.8 -60.2 -47.3 108.0 51.5 13.9 350 18 B N H 34 S+ 0 0 83 -4,-0.4 3,-0.4 -3,-0.3 -1,-0.2 0.785 112.5 53.7 -65.2 -26.9 106.9 51.5 10.2 351 19 B R H 3< S+ 0 0 6 -4,-0.6 -1,-0.3 -122,-0.2 -2,-0.2 0.528 85.6 91.5 -78.6 -6.8 107.0 47.7 10.1 352 20 B R S << S+ 0 0 88 -3,-1.3 2,-0.3 -4,-0.7 -1,-0.2 0.841 91.7 22.8 -61.8 -38.2 104.7 47.5 13.2 353 21 B D S > S- 0 0 73 -3,-0.4 4,-2.2 -4,-0.4 3,-0.3 -0.935 74.3-120.5-133.3 146.9 101.3 47.4 11.4 354 22 B D H > S+ 0 0 86 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.868 111.3 59.2 -49.3 -43.5 100.2 46.3 8.0 355 23 B F H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 108.6 42.3 -63.2 -41.6 98.7 49.8 7.4 356 24 B S H > S+ 0 0 11 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.886 113.5 52.8 -71.9 -36.7 102.1 51.6 7.8 357 25 B R H X S+ 0 0 46 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.893 110.7 48.4 -58.6 -40.8 103.9 48.9 5.8 358 26 B R H < S+ 0 0 161 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.872 110.3 51.6 -68.2 -38.4 101.5 49.4 3.0 359 27 B L H < S+ 0 0 141 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.936 118.1 35.0 -65.0 -44.0 101.8 53.2 3.1 360 28 B V H < S+ 0 0 60 -4,-2.0 -1,-0.2 -10,-0.2 -2,-0.2 0.605 82.3 132.5 -87.6 -13.9 105.7 53.3 2.9 361 29 B R < - 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