==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-DEC-10 3Q0E . COMPND 2 MOLECULE: ASPARTATE-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR A.G.PAVLOVSKY,X.LIU,VIOLA.R.E. . 740 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 9.3 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 58 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.2 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 1 0 2 0 2 0 0 3 9 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 5 8 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 . 5 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 3 0 1 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 M 0 0 75 0, 0.0 29,-3.2 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 129.7 137.8 21.4 -65.3 2 2 A R E -a 30 0A 100 27,-0.2 64,-2.3 62,-0.1 65,-1.6 -0.838 360.0-172.8 -95.6 113.4 138.6 21.4 -61.6 3 3 A V E -ab 31 67A 0 27,-2.2 29,-2.9 -2,-0.7 2,-0.3 -0.931 13.2-148.7-118.4 118.2 138.8 17.7 -60.5 4 4 A G E -ab 32 68A 0 63,-3.2 65,-3.0 -2,-0.5 2,-0.5 -0.624 10.1-153.8 -80.5 140.7 139.2 16.6 -56.9 5 5 A L E +ab 33 69A 1 27,-2.6 29,-2.6 -2,-0.3 2,-0.4 -0.978 13.9 179.4-118.4 126.0 141.2 13.4 -56.2 6 6 A V E + b 0 70A 2 63,-2.3 65,-2.9 -2,-0.5 66,-0.3 -0.979 68.5 14.3-125.8 138.1 140.5 11.3 -53.1 7 7 A G S > S+ 0 0 8 -2,-0.4 3,-0.8 27,-0.3 6,-0.5 0.732 76.4 141.6 73.0 23.5 142.2 8.1 -52.1 8 8 A W T 3 + 0 0 21 26,-0.3 9,-0.3 1,-0.2 -1,-0.1 0.614 66.8 55.3 -71.0 -15.2 145.0 8.7 -54.7 9 9 A R T 3 S+ 0 0 146 4,-0.1 -1,-0.2 5,-0.1 26,-0.0 0.597 91.8 87.3 -95.0 -16.9 147.6 7.3 -52.3 10 10 A G S <> S- 0 0 40 -3,-0.8 4,-2.4 1,-0.0 5,-0.2 -0.007 98.4 -87.6 -72.7-175.5 146.0 3.9 -51.7 11 11 A M H > S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.969 126.9 37.0 -63.6 -56.6 146.5 0.9 -53.9 12 12 A V H > S+ 0 0 31 1,-0.2 4,-2.5 59,-0.2 -1,-0.2 0.920 118.5 52.3 -61.3 -44.9 143.7 1.5 -56.5 13 13 A G H > S+ 0 0 0 -6,-0.5 4,-2.7 58,-0.3 -1,-0.2 0.856 106.8 52.4 -58.7 -39.1 144.4 5.3 -56.4 14 14 A S H X S+ 0 0 35 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.861 109.2 49.3 -68.6 -36.3 148.2 4.8 -57.0 15 15 A V H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.936 111.9 49.9 -63.6 -46.2 147.4 2.6 -60.1 16 16 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.916 109.7 50.0 -57.3 -47.1 145.0 5.4 -61.2 17 17 A M H X S+ 0 0 6 -4,-2.7 4,-2.2 -9,-0.3 -1,-0.2 0.921 110.4 50.5 -58.5 -45.6 147.7 8.1 -60.7 18 18 A Q H X S+ 0 0 101 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.931 113.4 45.6 -56.3 -47.8 150.2 6.0 -62.7 19 19 A R H X S+ 0 0 17 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.863 109.9 53.1 -66.4 -39.2 147.7 5.6 -65.6 20 20 A M H <>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 6,-0.6 0.878 111.8 46.6 -64.5 -38.5 146.7 9.3 -65.6 21 21 A V H ><5S+ 0 0 63 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.942 112.0 50.9 -64.0 -48.4 150.4 10.2 -65.8 22 22 A E H 3<5S+ 0 0 126 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.860 117.3 38.9 -58.5 -39.0 151.0 7.7 -68.6 23 23 A E T 3<5S- 0 0 86 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.395 108.8-122.6 -94.2 2.5 148.0 9.0 -70.6 24 24 A R T X 5 + 0 0 181 -3,-1.1 3,-0.9 -4,-0.3 4,-0.3 0.839 57.5 152.4 57.2 37.9 148.7 12.7 -69.8 25 25 A D G > < + 0 0 0 -5,-2.5 3,-1.6 1,-0.2 4,-0.3 0.830 63.7 65.2 -62.8 -33.7 145.2 13.1 -68.3 26 26 A F G > S+ 0 0 17 -6,-0.6 3,-0.8 1,-0.3 -1,-0.2 0.718 86.9 70.0 -65.9 -21.8 146.6 15.9 -66.0 27 27 A D G < S+ 0 0 115 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.739 102.1 46.3 -61.9 -23.5 147.3 18.1 -69.0 28 28 A L G < S+ 0 0 85 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.459 112.4 46.6-103.3 -5.2 143.5 18.4 -69.5 29 29 A I S < S- 0 0 9 -3,-0.8 -27,-0.2 -4,-0.3 0, 0.0 -0.833 72.8-120.2-133.6 166.0 142.4 19.2 -65.9 30 30 A E E -a 2 0A 106 -29,-3.2 -27,-2.2 -2,-0.3 2,-0.3 -0.924 41.4-151.1-103.5 98.7 143.1 21.3 -62.8 31 31 A P E -a 3 0A 11 0, 0.0 2,-0.5 0, 0.0 -27,-0.2 -0.550 12.8-167.7 -77.6 134.2 143.7 18.5 -60.2 32 32 A V E -a 4 0A 17 -29,-2.9 -27,-2.6 -2,-0.3 2,-0.4 -0.982 13.6-146.8-121.2 116.7 142.9 19.2 -56.6 33 33 A F E -a 5 0A 3 -2,-0.5 21,-2.6 17,-0.4 2,-0.3 -0.715 13.1-164.2 -92.2 129.2 144.4 16.7 -54.2 34 34 A F E -f 54 0B 3 -29,-2.6 2,-0.3 -2,-0.4 -27,-0.3 -0.771 0.8-157.9-109.6 154.3 142.4 15.8 -51.0 35 35 A S E -f 55 0B 8 19,-2.8 21,-2.2 -2,-0.3 22,-0.3 -0.975 20.5-163.1-132.4 146.5 143.6 14.0 -47.9 36 36 A T S S+ 0 0 59 -2,-0.3 3,-0.1 19,-0.2 19,-0.1 0.258 96.0 36.2-102.7 7.4 141.8 12.1 -45.1 37 37 A S S S+ 0 0 98 1,-0.3 2,-0.3 0, 0.0 18,-0.1 0.695 121.4 8.8-128.9 -38.4 144.9 12.4 -42.8 38 38 A Q - 0 0 121 16,-0.1 -1,-0.3 3,-0.0 2,-0.2 -0.968 60.3-168.2-157.5 133.8 146.8 15.7 -43.2 39 39 A I + 0 0 83 -2,-0.3 15,-0.2 1,-0.1 -5,-0.1 -0.750 57.3 40.4-123.5 165.9 146.1 19.0 -45.0 40 40 A G S S+ 0 0 48 13,-3.0 -1,-0.1 1,-0.3 3,-0.1 0.136 83.4 109.5 88.3 -21.0 147.8 22.2 -46.0 41 41 A V S S- 0 0 57 1,-0.2 12,-2.6 11,-0.1 -1,-0.3 -0.442 85.0 -66.6 -81.4 160.9 151.1 20.6 -47.0 42 42 A P B -G 52 0C 106 0, 0.0 10,-0.3 0, 0.0 -1,-0.2 -0.154 49.6-128.2 -51.5 136.1 152.2 20.4 -50.7 43 43 A A - 0 0 12 8,-3.0 7,-0.2 1,-0.2 8,-0.2 -0.360 43.3 -77.6 -71.9 161.9 150.1 18.1 -53.0 44 44 A P - 0 0 26 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.361 39.0-139.5 -61.9 144.2 151.9 15.5 -55.1 45 45 A N + 0 0 101 1,-0.1 4,-0.1 4,-0.1 0, 0.0 -0.932 28.3 168.8-105.8 105.1 153.6 16.8 -58.2 46 46 A F S S- 0 0 79 -2,-0.7 -1,-0.1 2,-0.6 3,-0.1 0.277 86.3 -39.0 -97.7 9.5 153.1 14.3 -61.0 47 47 A G S S+ 0 0 71 1,-0.4 2,-0.3 -21,-0.0 -2,-0.1 0.045 131.5 36.1 157.0 -30.6 154.4 16.7 -63.6 48 48 A K S S- 0 0 88 -4,-0.1 -2,-0.6 0, 0.0 -1,-0.4 -0.959 91.8 -86.9-140.7 159.5 153.1 20.1 -62.6 49 49 A D - 0 0 128 -2,-0.3 -4,-0.1 -4,-0.1 0, 0.0 -0.424 34.0-178.1 -66.1 138.4 152.4 21.9 -59.3 50 50 A A - 0 0 18 1,-0.4 -17,-0.4 -7,-0.2 2,-0.2 0.138 33.2-129.0-125.4 17.9 149.0 21.2 -57.8 51 51 A G - 0 0 35 -8,-0.2 -8,-3.0 -19,-0.1 -1,-0.4 -0.505 54.1 -17.5 77.1-135.4 149.1 23.4 -54.7 52 52 A M B -G 42 0C 77 -10,-0.3 2,-0.4 -2,-0.2 -19,-0.4 -0.585 66.3 -96.0-107.9 164.7 148.2 22.0 -51.2 53 53 A L - 0 0 5 -12,-2.6 -13,-3.0 -2,-0.2 -19,-0.2 -0.710 44.8-150.2 -77.5 129.4 146.4 19.0 -49.8 54 54 A H E -f 34 0B 55 -21,-2.6 -19,-2.8 -2,-0.4 2,-0.6 -0.613 25.3 -89.7-101.9 162.0 142.7 19.8 -49.1 55 55 A D E > -f 35 0B 56 -2,-0.2 3,-1.7 -21,-0.2 7,-0.2 -0.590 28.9-154.4 -74.8 111.5 140.3 18.4 -46.5 56 56 A A T 3 S+ 0 0 0 -21,-2.2 -1,-0.2 -2,-0.6 -20,-0.1 0.628 93.8 48.9 -60.9 -15.1 138.5 15.4 -48.0 57 57 A F T 3 S+ 0 0 85 -22,-0.3 2,-0.8 4,-0.0 -1,-0.3 0.427 79.7 112.1-106.6 -1.5 135.5 16.0 -45.6 58 58 A D <> - 0 0 62 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 -0.652 49.1-164.5 -81.6 107.2 135.1 19.7 -46.2 59 59 A I H > S+ 0 0 48 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.896 87.5 52.8 -58.1 -45.7 131.7 20.2 -48.0 60 60 A E H > S+ 0 0 116 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.895 111.1 47.3 -59.6 -41.6 132.4 23.8 -49.0 61 61 A S H >4 S+ 0 0 36 1,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.932 113.0 47.7 -64.0 -47.6 135.8 22.8 -50.6 62 62 A L H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.851 103.7 63.3 -62.7 -34.5 134.2 19.8 -52.4 63 63 A K H 3< S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.723 93.9 62.3 -61.6 -24.0 131.4 22.1 -53.7 64 64 A Q T << S+ 0 0 99 -3,-1.1 -1,-0.3 -4,-0.6 2,-0.2 0.475 88.4 97.0 -80.8 -2.7 133.9 24.2 -55.6 65 65 A L < - 0 0 8 -3,-1.7 -62,-0.2 -4,-0.1 26,-0.2 -0.607 62.3-154.1 -92.7 147.5 134.8 21.2 -57.8 66 66 A D S S+ 0 0 78 -64,-2.3 26,-2.3 1,-0.3 2,-0.3 0.716 85.1 2.7 -82.4 -25.9 133.5 20.3 -61.3 67 67 A A E -bc 3 92A 0 -65,-1.6 -63,-3.2 24,-0.3 2,-0.4 -0.989 58.2-149.2-156.2 157.8 134.3 16.6 -60.5 68 68 A V E -bc 4 93A 0 24,-2.8 26,-3.3 -2,-0.3 2,-0.5 -1.000 4.0-166.5-128.4 129.8 135.5 14.2 -57.9 69 69 A I E -bc 5 94A 1 -65,-3.0 -63,-2.3 -2,-0.4 2,-0.5 -0.980 20.1-173.9-110.1 115.2 137.4 11.0 -58.6 70 70 A T E +bc 6 95A 0 24,-2.8 26,-2.2 -2,-0.5 27,-0.4 -0.943 31.8 162.1-117.4 126.5 137.5 8.9 -55.5 71 71 A C + 0 0 21 -65,-2.9 -58,-0.3 -2,-0.5 -59,-0.2 0.071 54.9 106.8-112.9 17.8 139.3 5.6 -54.8 72 72 A Q S S- 0 0 77 -66,-0.3 3,-0.2 1,-0.2 2,-0.1 0.770 79.6-120.9 -74.6 -27.7 138.9 6.1 -51.0 73 73 A G > - 0 0 24 1,-0.1 4,-1.9 2,-0.1 3,-0.3 -0.413 32.1 -54.0 113.2 175.7 136.3 3.4 -50.6 74 74 A G H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.808 123.4 57.2 -61.3 -40.3 132.7 2.9 -49.4 75 75 A S H > S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 109.7 46.9 -57.4 -46.8 133.0 4.4 -45.9 76 76 A Y H > S+ 0 0 8 -3,-0.3 4,-2.2 2,-0.2 5,-0.4 0.931 112.1 49.2 -61.4 -49.3 134.2 7.7 -47.4 77 77 A T H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.940 111.1 50.0 -57.9 -48.5 131.4 7.8 -50.0 78 78 A E H < S+ 0 0 133 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.842 114.5 45.7 -55.9 -37.6 128.7 7.0 -47.4 79 79 A K H < S+ 0 0 144 -4,-1.7 4,-0.3 -5,-0.2 -1,-0.2 0.854 128.1 20.9 -75.3 -36.9 130.1 9.8 -45.2 80 80 A V H X S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.1 -3,-0.2 0.832 108.0 67.2-106.9 -42.9 130.5 12.5 -47.8 81 81 A Y H X S+ 0 0 14 -4,-2.3 4,-2.4 -5,-0.4 5,-0.3 0.891 100.2 47.5 -57.5 -51.0 128.3 11.9 -50.9 82 82 A P H > S+ 0 0 57 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.944 115.6 45.6 -58.6 -47.0 124.8 12.3 -49.4 83 83 A A H > S+ 0 0 38 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.879 111.4 53.4 -60.3 -40.7 125.7 15.6 -47.7 84 84 A L H <>S+ 0 0 0 -4,-2.4 5,-1.8 2,-0.2 -1,-0.2 0.925 113.0 41.7 -63.4 -45.9 127.4 16.9 -50.8 85 85 A R H ><5S+ 0 0 48 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.885 113.3 53.9 -66.8 -39.8 124.4 16.2 -53.0 86 86 A Q H 3<5S+ 0 0 162 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.814 102.0 59.4 -62.7 -31.8 122.0 17.6 -50.3 87 87 A A T 3<5S- 0 0 41 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.501 126.8-100.3 -78.4 -4.0 124.1 20.8 -50.2 88 88 A G T < 5 + 0 0 51 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.530 64.6 158.9 102.5 9.8 123.3 21.3 -53.9 89 89 A W < + 0 0 10 -5,-1.8 -1,-0.3 1,-0.1 -25,-0.1 -0.501 15.7 179.4 -70.2 127.2 126.5 20.1 -55.6 90 90 A K + 0 0 156 -2,-0.3 -1,-0.1 -27,-0.2 3,-0.1 0.131 39.6 118.9-114.5 16.8 125.8 19.2 -59.3 91 91 A G S S- 0 0 9 -26,-0.2 2,-0.4 1,-0.1 -24,-0.3 -0.173 73.1 -81.0 -79.6 176.3 129.3 18.1 -60.2 92 92 A Y E -c 67 0A 37 -26,-2.3 -24,-2.8 36,-0.1 2,-0.7 -0.665 34.8-159.4 -86.0 126.2 130.5 14.7 -61.5 93 93 A W E -cd 68 128A 0 34,-2.9 36,-3.0 -2,-0.4 2,-0.5 -0.931 9.1-174.9-106.5 110.8 131.1 12.0 -58.9 94 94 A I E -cd 69 129A 0 -26,-3.3 -24,-2.8 -2,-0.7 2,-0.4 -0.950 14.7-179.1-110.9 117.9 133.4 9.2 -60.3 95 95 A D E -cd 70 130A 0 34,-2.1 36,-2.6 -2,-0.5 -24,-0.2 -0.956 37.8-166.0-134.5 132.0 133.7 6.4 -57.8 96 96 A A + 0 0 21 -26,-2.2 -25,-0.1 -2,-0.4 -1,-0.1 0.715 68.9 98.7 -78.0 -24.6 135.5 3.1 -57.4 97 97 A A S S- 0 0 8 -27,-0.4 3,-0.4 -24,-0.1 4,-0.2 -0.214 75.2-131.8 -72.0 155.2 133.4 2.0 -54.4 98 98 A S S > S+ 0 0 38 1,-0.2 3,-1.6 2,-0.1 4,-0.4 0.697 83.2 97.4 -75.2 -20.1 130.4 -0.3 -54.6 99 99 A T T 3 S+ 0 0 51 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.782 92.8 26.8 -38.1 -53.4 128.2 2.1 -52.5 100 100 A L T > S+ 0 0 14 -3,-0.4 3,-1.8 1,-0.2 -1,-0.3 0.384 87.5 106.1-100.9 2.5 126.4 3.9 -55.3 101 101 A R T < S+ 0 0 3 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.872 89.0 36.7 -51.2 -46.6 126.4 1.2 -58.1 102 102 A M T 3 S+ 0 0 78 -4,-0.4 -1,-0.3 -3,-0.3 2,-0.2 0.225 88.2 124.5 -97.3 13.8 122.7 0.3 -57.8 103 103 A D X - 0 0 55 -3,-1.8 3,-2.0 1,-0.1 -3,-0.1 -0.555 67.6-128.9 -71.3 137.5 121.6 3.8 -57.0 104 104 A K T 3 S+ 0 0 187 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.698 109.0 51.3 -59.3 -22.7 118.9 5.1 -59.5 105 105 A E T 3 S+ 0 0 112 -5,-0.1 23,-0.8 21,-0.0 22,-0.5 0.324 99.6 83.0 -98.9 6.6 120.9 8.2 -60.1 106 106 A A E < -e 128 0A 5 -3,-2.0 2,-0.4 -6,-0.2 23,-0.2 -0.857 60.2-153.0-114.7 147.4 124.1 6.4 -60.9 107 107 A I E -e 129 0A 19 21,-2.3 23,-2.7 -2,-0.3 2,-0.5 -0.961 20.3-131.2-112.2 132.3 125.5 4.7 -64.1 108 108 A I E -e 130 0A 0 -2,-0.4 2,-0.5 21,-0.2 23,-0.2 -0.767 31.0-139.2 -80.3 126.0 128.0 1.9 -63.8 109 109 A T E +e 131 0A 0 21,-2.4 23,-0.6 -2,-0.5 253,-0.1 -0.803 49.8 135.9-102.9 121.7 130.8 2.8 -66.2 110 110 A L >> - 0 0 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0 0 115 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.919 111.0 49.2 -57.4 -44.3 123.0 9.3 -72.8 121 121 A G H ><>S+ 0 0 4 -4,-2.2 5,-2.9 2,-0.2 3,-0.5 0.924 109.3 50.3 -60.2 -48.7 123.5 9.8 -69.1 122 122 A I H ><5S+ 0 0 16 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.896 113.6 46.7 -56.2 -42.3 125.9 12.7 -69.5 123 123 A H H 3<5S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.678 114.6 46.7 -75.1 -20.1 123.5 14.4 -72.0 124 124 A H T <<5S- 0 0 133 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.232 124.8 -87.4-114.0 13.3 120.4 13.9 -69.8 125 125 A G T < 5 + 0 0 48 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.2 0.536 69.4 150.0 100.5 8.3 121.7 15.0 -66.4 126 126 A T < + 0 0 35 -5,-2.9 -1,-0.3 -6,-0.2 -20,-0.1 -0.615 12.6 172.2 -71.1 130.5 123.3 11.9 -64.8 127 127 A K + 0 0 55 -22,-0.5 -34,-2.9 -2,-0.3 2,-0.5 0.384 51.7 77.4-121.6 -2.6 126.2 13.1 -62.5 128 128 A T E +de 93 106A 2 -23,-0.8 -21,-2.3 -36,-0.2 2,-0.4 -0.959 51.4 177.2-120.9 122.2 127.2 9.9 -60.7 129 129 A F E -de 94 107A 0 -36,-3.0 -34,-2.1 -2,-0.5 2,-0.4 -0.988 7.2-170.1-130.8 123.1 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112.5 46.3 -64.4 -45.2 134.1 -10.7 -67.7 140 140 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.802 107.3 57.0 -71.9 -28.3 132.4 -8.1 -69.9 141 141 A M H < S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 161,-0.2 0.828 115.4 39.8 -66.3 -31.9 135.7 -7.0 -71.3 142 142 A A H < S+ 0 0 1 -4,-1.2 3,-0.3 -3,-0.2 -2,-0.2 0.896 129.7 26.6 -79.5 -44.6 136.2 -10.6 -72.4 143 143 A L H >X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 3,-1.6 0.282 79.3 115.1-111.0 10.3 132.6 -11.4 -73.5 144 144 A G H 3X S+ 0 0 1 -4,-1.7 4,-2.9 1,-0.3 5,-0.2 0.823 73.0 63.1 -48.2 -40.1 131.1 -8.0 -74.5 145 145 A G H 34 S+ 0 0 0 150,-0.3 4,-0.4 -3,-0.3 -1,-0.3 0.816 109.3 39.4 -56.5 -35.3 130.8 -9.2 -78.2 146 146 A L H <4>S+ 0 0 0 -3,-1.6 5,-1.9 2,-0.1 3,-0.4 0.886 116.7 48.7 -80.7 -44.5 128.4 -11.9 -77.2 147 147 A Y H ><5S+ 0 0 8 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.880 106.6 55.6 -64.8 -40.4 126.4 -9.9 -74.6 148 148 A E T 3<5S+ 0 0 113 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.730 106.0 52.8 -66.2 -23.4 125.9 -6.9 -76.9 149 149 A R T 3 5S- 0 0 119 -3,-0.4 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25.2-154.5-106.4 117.7 133.4 -20.1 -61.4 159 159 A T E -Hj 276 265D 2 105,-2.2 107,-0.6 -2,-0.6 2,-0.4 -0.573 27.8-159.7-106.8 159.3 136.1 -17.7 -60.4 160 160 A Y E -Hj 275 266D 0 115,-3.3 115,-2.2 -2,-0.2 2,-0.3 -0.831 32.1-166.7-130.6 85.5 139.7 -17.7 -59.4 161 161 A Q E - j 0 267D 0 105,-3.4 107,-2.8 -2,-0.4 109,-0.3 -0.636 12.1-128.1 -97.6 137.6 140.1 -14.4 -57.6 162 162 A A > - 0 0 0 -2,-0.3 3,-1.1 105,-0.2 4,-0.3 -0.248 23.2-112.7 -77.4 160.7 143.4 -12.6 -56.6 163 163 A A G >> S+ 0 0 0 107,-3.1 3,-1.7 1,-0.2 4,-1.1 0.769 107.8 74.0 -62.4 -28.9 144.3 -11.2 -53.2 164 164 A S G 34 S+ 0 0 4 107,-2.0 -1,-0.2 1,-0.3 108,-0.1 0.780 83.7 67.2 -59.9 -28.9 144.3 -7.6 -54.5 165 165 A G G <4 S+ 0 0 23 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.802 105.1 43.8 -59.1 -29.9 140.5 -7.7 -54.6 166 166 A A T <4 S- 0 0 44 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.738 125.0 -90.1 -88.2 -26.2 140.6 -7.9 -50.8 167 167 A G X - 0 0 20 -4,-1.1 4,-1.7 1,-0.1 -1,-0.3 -0.639 36.7 -71.5 136.8 168.0 143.3 -5.2 -50.3 168 168 A A H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.875 125.8 54.3 -59.6 -42.3 147.0 -4.5 -50.1 169 169 A Q H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.867 106.7 52.8 -62.8 -36.2 147.3 -6.0 -46.6 170 170 A N H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 107.4 51.0 -65.4 -39.6 145.8 -9.2 -48.0 171 171 A M H X S+ 0 0 0 -4,-1.7 4,-2.0 -8,-0.2 -2,-0.2 0.911 110.8 48.9 -61.9 -44.4 148.4 -9.3 -50.8 172 172 A R H X S+ 0 0 20 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.910 110.4 51.2 -61.9 -43.0 151.2 -8.9 -48.3 173 173 A E H X S+ 0 0 12 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.903 106.4 54.9 -61.6 -43.5 149.6 -11.7 -46.1 174 174 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.940 111.2 43.8 -53.5 -50.9 149.5 -14.0 -49.2 175 175 A I H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.902 113.2 51.9 -63.9 -41.3 153.2 -13.5 -49.8 176 176 A S H X S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.913 108.3 51.4 -60.1 -43.4 154.0 -13.9 -46.1 177 177 A Q H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.888 107.6 53.2 -59.3 -42.1 152.1 -17.2 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122.2 20.7 -60.7 -37.7 166.2 -27.4 -45.6 188 188 A E H X4 S+ 0 0 36 -3,-1.1 3,-1.4 1,-0.1 6,-0.3 0.470 97.1 95.4-113.5 -5.6 165.1 -30.7 -47.2 189 189 A L H 3< S+ 0 0 7 -4,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.875 87.5 46.5 -56.5 -43.7 162.9 -29.5 -50.1 190 190 A A T 3< S+ 0 0 96 -4,-0.5 -1,-0.3 -3,-0.0 -2,-0.1 0.424 90.5 94.7 -84.6 0.8 165.7 -29.7 -52.8 191 191 A N X - 0 0 84 -3,-1.4 3,-1.8 1,-0.1 -1,-0.0 -0.835 59.6-163.0 -95.1 106.0 166.8 -33.2 -51.6 192 192 A P T 3 S+ 0 0 93 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.709 88.1 60.7 -65.5 -18.1 165.0 -35.7 -53.9 193 193 A A T 3 S+ 0 0 90 2,-0.1 2,-0.1 -3,-0.1 3,-0.1 0.610 83.1 100.5 -81.3 -15.4 165.9 -38.5 -51.3 194 194 A S S < S- 0 0 23 -3,-1.8 2,-0.4 -6,-0.3 3,-0.0 -0.416 91.2 -92.4 -69.3 146.7 163.9 -36.8 -48.6 195 195 A S > - 0 0 51 1,-0.2 4,-2.0 -2,-0.1 -1,-0.1 -0.480 26.9-156.0 -65.6 118.9 160.4 -38.1 -47.9 196 196 A I H > S+ 0 0 14 -2,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.836 97.0 53.3 -62.5 -32.9 157.8 -36.3 -49.9 197 197 A L H > S+ 0 0 21 2,-0.2 4,-2.3 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2,-0.2 0.274 87.9 121.1 -96.0 10.0 138.6 -47.9 -70.9 473 103 B D X - 0 0 64 -3,-1.6 3,-1.7 1,-0.1 -3,-0.0 -0.560 67.3-130.4 -76.1 138.0 139.4 -51.5 -71.8 474 104 B K T 3 S+ 0 0 207 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.768 107.4 53.4 -57.0 -31.2 136.4 -53.9 -72.1 475 105 B E T 3 S+ 0 0 106 -5,-0.0 23,-0.6 21,-0.0 22,-0.4 0.539 100.5 79.0 -83.4 -8.2 138.1 -56.5 -69.8 476 106 B A E < -v 498 0H 3 -3,-1.7 2,-0.4 -6,-0.2 23,-0.2 -0.759 63.6-149.7-108.4 148.4 138.7 -53.9 -67.1 477 107 B I E -v 499 0H 20 21,-2.3 23,-2.8 -2,-0.3 2,-0.6 -0.956 18.5-131.5-112.2 131.9 136.5 -52.4 -64.4 478 108 B I E -v 500 0H 0 -2,-0.4 2,-0.6 21,-0.2 23,-0.2 -0.758 31.6-138.9 -79.4 122.7 137.1 -48.9 -63.0 479 109 B T E +v 501 0H 0 21,-2.2 23,-0.5 -2,-0.6 253,-0.1 -0.765 50.2 135.2 -99.6 116.2 137.0 -49.3 -59.2 480 110 B L >> - 0 0 0 -2,-0.6 3,-2.6 21,-0.1 4,-2.3 -0.548 29.7-172.7-147.6 78.6 135.3 -46.9 -56.9 481 111 B D H 3> S+ 0 0 13 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.671 76.2 64.5 -60.9 -28.5 133.5 -49.2 -54.5 482 112 B P H 34 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.761 121.8 27.5 -62.2 -19.1 131.4 -46.7 -52.5 483 113 B V H <4 S+ 0 0 15 -3,-2.6 -2,-0.2 2,-0.0 3,-0.2 0.818 138.7 21.0-100.0 -50.6 129.8 -46.0 -55.9 484 114 B N H X + 0 0 8 -4,-2.3 4,-2.3 1,-0.2 3,-0.4 -0.044 69.1 131.4-120.3 34.0 130.1 -49.3 -57.8 485 115 B L H X S+ 0 0 71 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.895 79.7 54.1 -45.9 -47.2 130.7 -52.1 -55.3 486 116 B K H > S+ 0 0 185 1,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.877 107.9 48.5 -59.3 -42.8 128.0 -54.1 -57.1 487 117 B Q H > S+ 0 0 59 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.894 113.2 48.5 -62.7 -42.9 129.7 -53.8 -60.5 488 118 B I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.929 111.3 48.8 -64.1 -48.3 133.0 -54.8 -58.9 489 119 B L H X S+ 0 0 42 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.908 110.8 50.6 -59.3 -44.8 131.6 -57.9 -57.2 490 120 B H H X S+ 0 0 117 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.893 110.7 50.6 -60.7 -41.7 129.8 -59.0 -60.4 491 121 B G H ><>S+ 0 0 3 -4,-1.9 5,-3.0 2,-0.2 3,-0.8 0.935 109.7 49.4 -58.7 -50.3 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141 B M H < S+ 0 0 1 -4,-2.0 -1,-0.2 -5,-0.2 161,-0.2 0.820 115.3 39.3 -63.6 -30.6 132.5 -39.5 -53.8 512 142 B A H < S+ 0 0 1 -4,-1.2 3,-0.3 -3,-0.2 -2,-0.2 0.889 129.4 27.3 -81.8 -44.0 130.8 -36.1 -53.4 513 143 B L H >X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-1.6 0.237 79.7 114.2-111.4 12.1 127.9 -36.5 -55.7 514 144 B G H 3X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.3 5,-0.3 0.816 72.9 63.4 -52.3 -37.2 127.2 -40.2 -55.8 515 145 B G H 34 S+ 0 0 0 -3,-0.3 -1,-0.3 150,-0.2 4,-0.3 0.790 110.5 37.7 -59.8 -31.5 123.8 -39.8 -54.1 516 146 B L H <4>S+ 0 0 0 -3,-1.6 5,-2.1 2,-0.1 3,-0.4 0.885 117.3 48.5 -85.9 -45.7 122.6 -37.8 -57.1 517 147 B Y H ><5S+ 0 0 7 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.876 108.0 53.6 -62.8 -41.5 124.2 -39.8 -59.9 518 148 B E T 3<5S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.1 0.721 107.5 52.5 -69.2 -20.8 123.1 -43.2 -58.6 519 149 B R T 3 5S- 0 0 125 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.375 112.8-122.3 -91.1 0.5 119.5 -42.0 -58.5 520 150 B G T < 5S+ 0 0 39 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.813 70.9 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