==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-JUL-09 3IG5 . COMPND 2 MOLECULE: GLUTAMATE-CYSTEINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.BITEROVA,J.J.BARYCKI . 673 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 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 . 39 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 6 0 2 3 2 0 3 1 0 1 1 1 1 0 0 1 1 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 2 0 5 3 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 . 2 1 0 0 0 0 0 0 1 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 2 A G 0 0 38 0, 0.0 2,-0.3 0, 0.0 77,-0.1 0.000 360.0 360.0 360.0 159.9 -9.3 31.9 -5.7 2 3 A L - 0 0 66 76,-0.2 2,-0.2 91,-0.1 91,-0.0 -0.653 360.0-101.2 -86.4 151.4 -6.4 29.7 -4.5 3 4 A L - 0 0 68 -2,-0.3 -1,-0.1 1,-0.1 192,-0.0 -0.508 43.3-103.1 -73.2 136.0 -5.2 26.7 -6.6 4 5 A A - 0 0 84 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.234 35.8-116.6 -58.5 143.5 -6.5 23.2 -5.4 5 6 A L + 0 0 167 189,-0.1 2,-0.3 188,-0.0 -1,-0.1 -0.467 49.7 122.1 -83.0 154.0 -4.1 20.9 -3.4 6 7 A G - 0 0 21 -2,-0.1 188,-0.1 416,-0.0 189,-0.0 -0.963 60.9 -80.2 171.5-179.9 -2.8 17.4 -4.6 7 8 A T - 0 0 72 -2,-0.3 415,-2.2 187,-0.0 416,-0.1 -0.878 43.1-147.1-108.3 102.3 0.2 15.2 -5.3 8 9 A P B -A 421 0A 20 0, 0.0 2,-0.4 0, 0.0 413,-0.2 -0.418 13.3-127.2 -73.3 145.5 1.6 16.0 -8.8 9 10 A L - 0 0 21 411,-2.5 411,-0.4 -2,-0.1 193,-0.1 -0.788 21.3-126.0 -89.5 132.6 3.1 13.1 -10.7 10 11 A Q >> - 0 0 86 -2,-0.4 4,-1.7 409,-0.1 3,-1.1 -0.370 35.7 -95.4 -74.2 160.8 6.6 13.6 -12.0 11 12 A W H 3> S+ 0 0 4 1,-0.3 4,-2.8 2,-0.2 3,-0.4 0.853 122.6 50.0 -50.0 -49.3 7.1 13.0 -15.8 12 13 A F H 34 S+ 0 0 109 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.844 117.0 43.7 -63.5 -27.7 8.3 9.4 -15.7 13 14 A E H <4 S+ 0 0 115 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.768 119.7 41.2 -83.2 -25.8 5.4 8.6 -13.4 14 15 A S H >< S+ 0 0 2 -4,-1.7 3,-2.4 -3,-0.4 -2,-0.2 0.770 92.6 76.1 -98.4 -29.0 2.7 10.5 -15.4 15 16 A R G >< S+ 0 0 75 -4,-2.8 3,-1.7 1,-0.3 4,-0.3 0.793 85.9 68.5 -57.1 -28.9 3.6 9.8 -19.1 16 17 A T G 3 S+ 0 0 106 -4,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.741 100.0 47.8 -62.5 -22.0 2.1 6.4 -18.7 17 18 A Y G <> S+ 0 0 91 -3,-2.4 4,-3.2 1,-0.1 5,-0.3 0.305 79.2 107.9 -99.2 9.6 -1.4 8.0 -18.3 18 19 A N H <> S+ 0 0 14 -3,-1.7 4,-2.2 1,-0.2 -1,-0.1 0.953 84.8 39.3 -53.3 -56.6 -1.1 10.3 -21.3 19 20 A E H > S+ 0 0 73 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.844 114.6 54.8 -63.0 -36.0 -3.5 8.3 -23.5 20 21 A H H > S+ 0 0 55 -4,-0.2 4,-2.6 1,-0.2 5,-0.3 0.945 109.6 46.7 -60.5 -49.3 -5.8 7.7 -20.5 21 22 A I H X S+ 0 0 0 -4,-3.2 4,-1.8 2,-0.2 -2,-0.2 0.873 112.4 49.3 -66.0 -39.0 -6.1 11.4 -19.8 22 23 A R H X S+ 0 0 24 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.970 112.3 49.4 -62.1 -49.9 -6.7 12.3 -23.5 23 24 A D H X S+ 0 0 59 -4,-2.6 4,-2.0 1,-0.2 3,-0.2 0.925 113.6 43.3 -50.9 -58.0 -9.4 9.6 -23.8 24 25 A E H X S+ 0 0 49 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.817 112.3 53.5 -66.0 -33.1 -11.3 10.6 -20.7 25 26 A G H X S+ 0 0 0 -4,-1.8 4,-2.8 410,-0.3 -1,-0.2 0.855 105.7 53.5 -69.7 -33.6 -11.0 14.4 -21.4 26 27 A I H X S+ 0 0 5 -4,-2.3 4,-2.3 -3,-0.2 -2,-0.2 0.956 110.1 48.1 -65.0 -44.8 -12.5 13.8 -24.9 27 28 A E H X S+ 0 0 35 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.896 110.7 50.9 -59.1 -43.1 -15.5 12.1 -23.2 28 29 A Q H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.948 108.8 52.4 -59.4 -43.7 -15.7 15.0 -20.8 29 30 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.914 107.2 51.9 -58.0 -44.4 -15.7 17.3 -23.8 30 31 A L H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.933 108.2 50.5 -59.9 -43.6 -18.6 15.3 -25.4 31 32 A Y H X S+ 0 0 54 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.875 108.1 54.5 -62.3 -34.2 -20.7 15.5 -22.2 32 33 A I H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.5 0.953 112.0 43.2 -60.3 -51.2 -20.0 19.3 -22.3 33 34 A F H X S+ 0 0 16 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.926 112.8 52.8 -58.2 -46.4 -21.4 19.5 -25.8 34 35 A Q H < S+ 0 0 115 -4,-3.2 4,-0.2 1,-0.2 -2,-0.2 0.937 119.5 34.1 -57.2 -48.0 -24.2 17.2 -25.0 35 36 A A H < S+ 0 0 26 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.867 134.0 21.1 -74.2 -39.2 -25.2 19.4 -22.0 36 37 A A H >< S+ 0 0 0 -4,-3.3 3,-2.1 -5,-0.2 239,-0.2 0.493 88.3 102.2-117.6 -4.8 -24.4 23.0 -23.2 37 38 A G T 3< S+ 0 0 21 -4,-2.1 238,-0.3 -5,-0.5 -1,-0.1 0.741 86.3 47.7 -51.6 -30.5 -24.3 22.8 -26.9 38 39 A K T 3 S+ 0 0 187 -4,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.272 75.3 133.0-104.6 12.9 -27.7 24.3 -27.2 39 40 A R < + 0 0 5 -3,-2.1 236,-0.4 417,-0.1 2,-0.3 -0.307 32.5 176.2 -51.3 148.3 -27.4 27.3 -24.9 40 41 A D + 0 0 81 418,-0.2 234,-0.2 234,-0.1 -2,-0.0 -0.983 47.3 31.1-154.0 159.5 -28.6 30.5 -26.6 41 42 A N + 0 0 134 -2,-0.3 233,-0.1 1,-0.2 -1,-0.1 0.711 68.6 168.3 64.5 22.7 -29.2 34.1 -25.8 42 43 A D - 0 0 10 231,-1.7 -1,-0.2 230,-0.2 420,-0.1 -0.458 35.1-119.3 -66.9 133.1 -26.3 34.3 -23.3 43 44 A P - 0 0 52 0, 0.0 2,-2.0 0, 0.0 422,-0.2 -0.268 28.3 -95.7 -73.6 163.6 -25.5 37.9 -22.5 44 45 A L + 0 0 14 226,-0.1 67,-2.8 2,-0.0 2,-0.4 -0.534 55.5 166.1 -85.4 74.9 -22.2 39.6 -23.2 45 46 A F E +B 110 0B 58 -2,-2.0 226,-2.0 65,-0.2 2,-0.3 -0.743 10.8 164.4 -78.9 139.1 -20.6 39.1 -19.9 46 47 A W E -BC 109 270B 6 63,-2.2 63,-3.2 -2,-0.4 2,-0.3 -0.950 14.9-178.5-151.1 168.0 -16.9 39.8 -20.2 47 48 A G E - C 0 269B 15 222,-1.8 222,-2.5 -2,-0.3 2,-0.2 -0.967 19.8-125.3-169.7 153.5 -13.9 40.5 -17.9 48 49 A D E - C 0 268B 3 -2,-0.3 2,-0.4 220,-0.2 220,-0.2 -0.571 11.6-150.2-102.4 169.8 -10.2 41.3 -18.0 49 50 A E E - C 0 267B 43 218,-2.0 218,-2.2 -2,-0.2 2,-0.3 -0.979 15.6-170.3-143.2 115.9 -7.3 39.6 -16.2 50 51 A L E -DC 103 266B 0 53,-2.3 53,-2.1 -2,-0.4 2,-0.4 -0.871 9.2-150.2-109.6 152.1 -4.1 41.6 -15.2 51 52 A E E -D 102 0B 2 214,-0.6 2,-0.3 -2,-0.3 51,-0.2 -0.963 12.2-165.5-122.2 139.2 -0.8 40.3 -13.9 52 53 A Y E -D 101 0B 0 49,-3.0 49,-1.7 -2,-0.4 2,-0.5 -0.835 12.8-147.0-114.6 150.0 1.4 42.2 -11.6 53 54 A M E -DE 100 153B 0 100,-3.3 100,-2.8 -2,-0.3 2,-0.6 -0.992 18.0-137.2-113.3 129.3 5.0 41.9 -10.5 54 55 A V E - E 0 152B 6 45,-3.1 13,-3.1 -2,-0.5 2,-0.5 -0.684 24.9-163.0 -79.4 116.8 6.0 42.9 -6.9 55 56 A V E -FE 66 151B 0 96,-2.8 96,-2.2 -2,-0.6 2,-0.8 -0.892 11.8-146.5-111.1 134.2 9.2 44.8 -7.2 56 57 A D E -FE 65 150B 2 9,-3.2 9,-2.5 -2,-0.5 2,-0.6 -0.860 12.7-155.5-100.3 106.6 11.4 45.4 -4.1 57 58 A F E -FE 64 149B 0 92,-3.3 92,-1.1 -2,-0.8 2,-0.9 -0.776 7.2-167.0 -81.9 117.5 13.2 48.8 -4.4 58 59 A D E >> +FE 63 148B 36 5,-3.5 5,-1.9 -2,-0.6 4,-0.6 -0.843 13.6 179.2 -96.4 87.8 16.4 48.9 -2.4 59 60 A D T 45S+ 0 0 56 -2,-0.9 3,-0.5 88,-0.9 -1,-0.2 0.838 73.7 54.2 -67.6 -35.5 16.8 52.7 -2.6 60 61 A K T 45S+ 0 0 178 87,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.928 118.5 36.6 -61.8 -40.1 20.0 53.0 -0.6 61 62 A E T 45S- 0 0 111 2,-0.2 -1,-0.2 86,-0.1 -2,-0.2 0.415 105.8-127.9 -92.9 2.9 21.6 50.4 -2.9 62 63 A R T <5 + 0 0 91 -4,-0.6 2,-0.4 -3,-0.5 573,-0.3 0.935 66.3 129.9 46.1 50.5 19.9 51.7 -6.1 63 64 A N E < -F 58 0B 7 -5,-1.9 -5,-3.5 572,-0.1 2,-0.6 -0.992 42.7-163.9-131.2 127.9 18.7 48.1 -6.9 64 65 A S E +F 57 0B 0 -2,-0.4 -7,-0.2 567,-0.3 2,-0.2 -0.965 20.0 177.9-113.1 123.8 15.2 47.1 -7.7 65 66 A M E -F 56 0B 17 -9,-2.5 -9,-3.2 -2,-0.6 2,-0.4 -0.643 38.3 -94.0-114.0 163.1 14.6 43.4 -7.5 66 67 A L E -Fg 55 167B 0 100,-3.0 102,-1.7 -11,-0.2 2,-0.8 -0.708 43.4-127.5 -73.3 133.8 11.7 41.0 -7.9 67 68 A D + 0 0 2 -13,-3.1 -13,-0.2 -2,-0.4 3,-0.2 -0.765 37.5 166.3 -90.7 112.0 10.2 40.5 -4.5 68 69 A V + 0 0 1 -2,-0.8 3,-0.2 1,-0.1 -1,-0.1 0.148 64.0 72.2-110.1 19.7 9.9 36.8 -3.8 69 70 A X S S+ 0 0 54 1,-0.1 3,-0.3 2,-0.1 -1,-0.1 0.448 85.6 58.4-114.6 -8.5 9.2 37.1 -0.0 70 71 A H > + 0 0 16 -3,-0.2 3,-1.8 1,-0.2 4,-0.1 0.110 61.4 121.0-111.9 31.9 5.7 38.5 0.1 71 72 A D T > + 0 0 27 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.643 56.1 80.8 -72.5 -13.3 3.9 35.7 -1.7 72 73 A K T >> S+ 0 0 79 -3,-0.3 4,-2.6 1,-0.3 3,-0.9 0.714 71.2 86.5 -59.8 -19.7 1.6 35.0 1.3 73 74 A I H <> S+ 0 0 2 -3,-1.8 4,-2.3 1,-0.3 -1,-0.3 0.870 84.4 54.7 -48.7 -36.5 -0.3 38.0 -0.0 74 75 A L H <4 S+ 0 0 2 -3,-1.5 4,-0.4 2,-0.2 -1,-0.3 0.810 109.4 44.2 -73.8 -32.6 -2.2 35.5 -2.3 75 76 A T H X4 S+ 0 0 59 -3,-0.9 3,-0.8 -4,-0.4 4,-0.4 0.922 113.4 50.3 -75.1 -45.8 -3.3 33.2 0.5 76 77 A E H ><>S+ 0 0 35 -4,-2.6 5,-2.6 1,-0.3 3,-1.3 0.915 108.6 52.2 -60.5 -40.7 -4.4 36.1 2.9 77 78 A L T 3<5S+ 0 0 2 -4,-2.3 -1,-0.3 -5,-0.3 8,-0.2 0.701 114.2 44.5 -67.7 -18.2 -6.5 37.7 0.1 78 79 A N T < 5S+ 0 0 33 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.368 125.8 28.1-104.6 6.7 -8.2 34.4 -0.4 79 80 A M T X 5S+ 0 0 120 -3,-1.3 3,-1.5 -4,-0.4 4,-0.4 0.349 130.7 5.6-130.6-103.3 -8.7 33.7 3.2 80 81 A E T 3 5S+ 0 0 118 1,-0.3 -3,-0.2 2,-0.1 3,-0.1 0.664 136.7 41.9 -72.4 -14.0 -9.1 36.2 6.0 81 82 A D T 3> S+ 0 0 27 -3,-1.5 4,-3.0 -6,-0.3 5,-0.2 0.872 77.4 60.8 -64.5 -33.2 -11.3 37.7 1.0 83 84 A S H > S+ 0 0 67 -4,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.841 100.0 55.4 -65.5 -33.2 -14.1 39.8 2.5 84 85 A L H > S+ 0 0 56 -3,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.930 111.7 43.4 -58.2 -45.6 -12.1 42.8 1.6 85 86 A C H ><>S+ 0 0 5 -4,-1.4 5,-1.9 -8,-0.2 3,-0.9 0.927 113.4 50.1 -67.5 -48.3 -11.9 41.7 -2.0 86 87 A E H ><5S+ 0 0 129 -4,-3.0 3,-2.0 1,-0.3 -2,-0.2 0.921 107.4 52.9 -58.2 -52.6 -15.6 40.6 -2.3 87 88 A A H 3<5S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.705 115.6 44.9 -52.3 -22.2 -16.9 43.9 -0.9 88 89 A N T <<5S- 0 0 48 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.287 110.1-120.0-111.1 10.4 -14.7 45.4 -3.6 89 90 A D T < 5S+ 0 0 34 -3,-2.0 17,-1.2 1,-0.2 18,-0.3 0.885 73.1 119.2 55.2 39.9 -15.7 43.2 -6.5 90 91 A V E < -H 105 0B 2 -5,-1.9 2,-0.3 15,-0.3 -1,-0.2 -0.914 41.8-166.7-130.0 161.2 -12.0 42.0 -7.1 91 92 A S E -H 104 0B 25 13,-2.0 13,-2.3 -2,-0.3 2,-0.3 -0.990 7.6-148.6-150.2 144.8 -10.4 38.6 -6.9 92 93 A F E -H 103 0B 1 -2,-0.3 11,-0.3 11,-0.2 -2,-0.0 -0.916 14.4-179.7-121.8 144.9 -6.8 37.5 -6.8 93 94 A H E -H 102 0B 43 9,-2.9 9,-1.7 -2,-0.3 -91,-0.1 -0.951 29.2-102.0-142.8 154.9 -5.1 34.3 -8.2 94 95 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.404 32.8-167.8 -73.7 150.4 -1.6 32.8 -8.3 95 96 A E - 0 0 21 2,-0.4 96,-0.2 5,-0.4 5,-0.2 -0.830 41.7 -87.7-131.1 174.5 0.6 32.9 -11.4 96 97 A Y S S+ 0 0 3 -2,-0.3 95,-2.9 165,-0.2 2,-0.2 0.863 105.5 75.7 -49.4 -45.8 3.8 31.1 -12.4 97 98 A G B > S-K 190 0C 0 164,-0.5 3,-1.7 93,-0.2 -2,-0.4 -0.463 72.6-145.0 -76.9 132.6 6.1 33.7 -10.8 98 99 A R T 3 S+ 0 0 35 91,-2.9 92,-0.1 1,-0.3 -1,-0.1 0.757 106.8 49.0 -60.8 -25.4 6.4 33.7 -7.0 99 100 A Y T 3 S+ 0 0 4 90,-0.4 -45,-3.1 -30,-0.1 2,-0.3 0.288 97.9 97.7 -93.8 -0.6 6.6 37.5 -7.3 100 101 A M E < -D 53 0B 1 -3,-1.7 -5,-0.4 -47,-0.2 2,-0.3 -0.682 50.5-168.4 -95.7 154.1 3.6 37.7 -9.5 101 102 A L E -D 52 0B 3 -49,-1.7 -49,-3.0 -2,-0.3 2,-0.4 -0.955 5.3-161.0-127.7 143.4 -0.0 38.5 -8.6 102 103 A E E +DH 51 93B 16 -9,-1.7 -9,-2.9 -2,-0.3 2,-0.3 -0.991 14.7 178.8-122.5 145.4 -3.0 38.0 -11.0 103 104 A A E +DH 50 92B 0 -53,-2.1 -53,-2.3 -2,-0.4 -11,-0.2 -0.999 9.9 174.3-149.7 146.8 -6.3 39.8 -10.4 104 105 A T E - 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0 0 51 1,-0.1 3,-1.6 -9,-0.1 -1,-0.3 -0.990 59.5-123.0-148.2 142.5 -17.3 59.9 -35.6 579 580 A W G > S+ 0 0 10 -2,-0.3 3,-2.2 1,-0.3 4,-0.2 0.855 105.1 71.9 -55.7 -34.1 -15.6 58.6 -32.4 580 581 A K G > S+ 0 0 106 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.671 78.5 73.9 -61.5 -16.6 -13.9 62.0 -32.0 581 582 A E G X S+ 0 0 67 -3,-1.6 3,-1.1 1,-0.3 -1,-0.3 0.650 78.0 78.4 -70.6 -12.5 -17.2 63.7 -31.0 582 583 A L G X S+ 0 0 0 -3,-2.2 3,-1.9 1,-0.2 10,-0.3 0.767 74.2 78.4 -60.8 -24.2 -16.8 61.9 -27.7 583 584 A K G < S+ 0 0 76 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 101.4 36.9 -51.0 -35.2 -14.3 64.7 -26.8 584 585 A H G < S+ 0 0 160 -3,-1.1 2,-0.3 -4,-0.2 -1,-0.3 0.196 91.0 118.9-106.8 11.0 -17.3 67.0 -26.1 585 586 A S < - 0 0 29 -3,-1.9 4,-0.4 1,-0.1 7,-0.1 -0.594 54.7-150.8 -81.6 139.2 -19.6 64.4 -24.5 586 587 A S S S+ 0 0 115 -2,-0.3 3,-0.5 1,-0.1 -1,-0.1 0.964 98.5 32.1 -71.6 -48.8 -20.6 65.0 -20.9 587 588 A K S S+ 0 0 186 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.678 124.9 42.4 -81.0 -17.2 -21.0 61.2 -20.2 588 589 A H > + 0 0 36 -6,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.097 69.0 115.8-124.0 20.1 -18.3 59.8 -22.5 589 590 A E H > S+ 0 0 67 -3,-0.5 4,-1.8 -4,-0.4 -1,-0.1 0.868 77.4 52.9 -62.9 -36.0 -15.2 62.0 -22.2 590 591 A R H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 104.7 56.5 -71.0 -36.6 -12.9 59.4 -20.7 591 592 A L H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.903 102.7 56.8 -54.9 -43.6 -13.8 57.1 -23.6 592 593 A Y H X S+ 0 0 17 -4,-1.7 4,-2.7 -10,-0.3 -1,-0.2 0.945 108.5 46.5 -50.3 -49.9 -12.5 59.9 -25.9 593 594 A Y H X S+ 0 0 17 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.878 109.3 53.1 -68.9 -34.5 -9.2 59.8 -24.1 594 595 A Y H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.958 115.7 41.1 -57.4 -51.6 -8.9 56.0 -24.2 595 596 A L H X S+ 0 0 1 -4,-2.5 4,-3.4 1,-0.2 -2,-0.2 0.843 113.1 53.0 -70.2 -35.1 -9.5 56.0 -28.0 596 597 A K H X S+ 0 0 32 -4,-2.7 4,-3.3 -5,-0.3 5,-0.3 0.925 108.4 51.1 -62.9 -43.6 -7.3 59.1 -28.5 597 598 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.941 114.3 44.7 -58.7 -49.7 -4.5 57.3 -26.6 598 599 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.947 114.9 46.7 -56.4 -54.0 -5.0 54.3 -28.9 599 600 A S H X S+ 0 0 13 -4,-3.4 4,-2.4 1,-0.2 6,-0.3 0.942 112.5 50.1 -56.2 -47.7 -5.2 56.4 -32.1 600 601 A D H <>S+ 0 0 31 -4,-3.3 6,-1.6 1,-0.2 5,-1.2 0.824 114.2 44.8 -65.8 -29.3 -2.1 58.5 -31.1 601 602 A R H ><5S+ 0 0 1 -4,-1.7 3,-0.9 -5,-0.3 -1,-0.2 0.916 111.4 52.0 -79.6 -39.7 -0.0 55.3 -30.4 602 603 A A H 3<5S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.831 113.2 46.4 -63.4 -31.4 -1.2 53.5 -33.6 603 604 A S T 3<5S- 0 0 48 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.524 116.2-112.9 -88.5 -4.9 -0.2 56.6 -35.6 604 605 A G T < 5S+ 0 0 31 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.418 85.6 117.2 90.5 -0.2 3.2 57.0 -34.0 605 606 A E S - 0 0 5 -7,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.424 34.6-108.3 -65.1 158.1 4.6 52.3 -26.9 609 610 A T H > S+ 0 0 2 -312,-0.4 4,-3.0 1,-0.2 -311,-0.3 0.915 124.3 56.7 -50.5 -42.1 5.7 51.3 -23.5 610 611 A A H > S+ 0 0 0 -313,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.921 109.5 44.0 -60.2 -39.9 8.5 49.3 -25.3 611 612 A K H > S+ 0 0 44 -314,-0.3 4,-3.2 2,-0.2 5,-0.3 0.935 112.4 51.3 -71.3 -49.5 9.7 52.5 -27.1 612 613 A F H X S+ 0 0 21 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.925 113.1 46.4 -46.4 -51.6 9.5 54.6 -23.9 613 614 A F H X S+ 0 0 7 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.933 113.5 48.7 -60.4 -46.1 11.6 51.9 -22.0 614 615 A R H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.954 111.4 48.2 -63.2 -51.1 14.1 51.6 -24.9 615 616 A N H X S+ 0 0 52 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.942 109.7 55.9 -48.5 -49.9 14.6 55.4 -25.1 616 617 A F H < S+ 0 0 40 -4,-2.4 4,-0.4 -5,-0.3 -2,-0.2 0.925 110.1 42.8 -53.1 -53.6 15.0 55.5 -21.4 617 618 A V H >< S+ 0 0 2 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.888 114.9 49.7 -60.4 -39.4 17.9 52.9 -21.4 618 619 A L H 3< S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.835 114.4 43.7 -72.7 -31.2 19.6 54.5 -24.4 619 620 A Q T 3< S+ 0 0 147 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.333 85.2 121.3 -95.0 4.0 19.5 58.1 -23.0 620 621 A H X - 0 0 19 -3,-0.8 3,-3.2 -4,-0.4 13,-0.1 -0.550 67.6-131.6 -77.3 132.5 20.6 57.0 -19.5 621 622 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.753 107.8 49.6 -55.7 -24.9 23.8 58.7 -18.3 622 623 A D T 3 S+ 0 0 70 8,-0.0 2,-0.2 2,-0.0 11,-0.1 0.304 80.7 123.3 -94.3 5.3 25.2 55.3 -17.2 623 624 A Y < - 0 0 8 -3,-3.2 6,-0.1 1,-0.1 -5,-0.0 -0.516 48.5-158.4 -73.9 134.5 24.4 53.6 -20.5 624 625 A K - 0 0 136 4,-0.4 -1,-0.1 -2,-0.2 -402,-0.1 0.118 35.4-115.6-105.1 22.2 27.6 52.1 -22.0 625 626 A H S S+ 0 0 102 1,-0.1 -403,-2.6 3,-0.1 -402,-0.3 0.748 93.7 101.9 55.5 29.5 26.5 51.8 -25.7 626 627 A D S S- 0 0 25 -404,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.090 97.9-105.3-127.9 14.9 26.8 48.1 -25.4 627 628 A S S S+ 0 0 0 1,-0.2 -321,-2.5 -404,-0.1 2,-0.4 0.503 74.7 138.3 75.1 2.5 23.1 47.0 -25.0 628 629 A K B -P 305 0G 67 -323,-0.2 2,-0.7 -11,-0.1 -4,-0.4 -0.699 43.9-155.2 -91.9 133.3 23.5 46.3 -21.2 629 630 A I - 0 0 2 -325,-3.0 2,-0.2 -2,-0.4 -6,-0.0 -0.929 20.9-160.9-100.2 114.1 21.0 47.2 -18.6 630 631 A S > - 0 0 43 -2,-0.7 4,-3.5 1,-0.1 5,-0.2 -0.512 34.1-101.7 -90.7 164.9 22.9 47.5 -15.3 631 632 A K H > S+ 0 0 69 1,-0.3 4,-3.1 2,-0.2 -567,-0.3 0.870 125.1 53.6 -52.7 -39.7 21.3 47.4 -11.9 632 633 A S H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.931 111.0 42.3 -65.2 -47.3 21.6 51.2 -11.8 633 634 A I H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.949 114.9 51.9 -66.3 -46.2 19.8 51.7 -15.1 634 635 A N H X S+ 0 0 0 -4,-3.5 4,-3.4 1,-0.2 5,-0.3 0.940 109.3 51.3 -52.3 -48.1 17.2 49.0 -14.1 635 636 A Y H X S+ 0 0 27 -4,-3.1 4,-2.3 -573,-0.3 -1,-0.2 0.912 113.4 42.4 -55.1 -52.9 16.6 50.9 -10.7 636 637 A D H X S+ 0 0 38 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.846 113.7 52.7 -64.5 -40.6 16.1 54.3 -12.3 637 638 A L H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.973 113.1 43.7 -58.7 -53.0 13.9 52.8 -15.1 638 639 A L H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.837 109.8 56.3 -69.8 -24.6 11.7 51.0 -12.5 639 640 A S H X S+ 0 0 8 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.933 108.2 48.2 -64.9 -45.1 11.6 54.1 -10.4 640 641 A T H X S+ 0 0 3 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.909 109.5 53.5 -56.5 -42.5 10.2 56.0 -13.4 641 642 A C H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.893 106.7 52.3 -61.0 -37.7 7.7 53.2 -13.9 642 643 A D H X S+ 0 0 23 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.943 112.1 44.7 -63.8 -48.1 6.6 53.6 -10.2 643 644 A R H <>S+ 0 0 48 -4,-2.2 5,-3.0 2,-0.2 3,-0.4 0.927 113.4 50.7 -62.6 -43.2 6.0 57.3 -10.7 644 645 A L H ><5S+ 0 0 0 -4,-3.3 3,-2.2 1,-0.2 -2,-0.2 0.964 107.1 53.6 -58.2 -49.4 4.3 56.7 -14.1 645 646 A T H 3<5S+ 0 0 13 -4,-3.1 -166,-0.3 1,-0.3 -1,-0.2 0.814 112.5 45.0 -50.2 -36.3 2.0 54.1 -12.5 646 647 A H T 3<5S- 0 0 79 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.228 114.4-115.4-100.4 11.7 1.0 56.7 -9.8 647 648 A L T < 5 + 0 0 46 -3,-2.2 2,-1.0 -4,-0.2 -3,-0.2 0.792 57.1 162.9 61.5 34.2 0.5 59.6 -12.3 648 649 A D < + 0 0 60 -5,-3.0 3,-0.4 -6,-0.2 5,-0.3 -0.726 14.3 171.5 -91.3 103.4 3.4 61.4 -10.7 649 650 A D > + 0 0 25 -2,-1.0 3,-3.4 1,-0.2 -1,-0.1 0.274 40.3 117.3 -94.3 14.0 4.5 64.1 -13.2 650 651 A S T 3 S+ 0 0 95 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.757 88.1 37.5 -57.4 -23.3 7.0 65.9 -10.8 651 652 A K T 3 S- 0 0 139 -3,-0.4 -1,-0.3 -11,-0.1 -2,-0.1 0.202 117.5-113.1-108.0 14.1 9.8 65.0 -13.2 652 653 A G S <> S+ 0 0 31 -3,-3.4 4,-2.5 1,-0.1 -2,-0.1 0.630 80.3 129.7 66.9 10.9 7.6 65.5 -16.3 653 654 A E H > + 0 0 26 -5,-0.3 4,-2.0 2,-0.2 5,-0.2 0.885 69.0 49.3 -66.9 -38.3 7.8 61.7 -17.0 654 655 A L H > S+ 0 0 0 -6,-0.3 4,-3.3 2,-0.2 5,-0.4 0.908 113.0 47.5 -68.3 -43.3 4.0 61.3 -17.4 655 656 A T H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.930 111.5 51.7 -60.3 -40.9 3.9 64.3 -19.8 656 657 A S H < S+ 0 0 79 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.885 118.8 36.2 -63.2 -37.5 6.8 62.8 -21.7 657 658 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.906 131.0 26.2 -83.5 -49.3 5.1 59.4 -22.0 658 659 A L H X S- 0 0 1 -4,-3.3 4,-0.5 -5,-0.2 -3,-0.2 0.521 107.9-118.2 -91.3 -3.9 1.4 60.3 -22.5 659 660 A G H X - 0 0 21 -4,-1.7 4,-2.7 -5,-0.4 5,-0.2 0.136 37.6 -77.9 71.3 156.3 2.0 63.7 -24.1 660 661 A A H > S+ 0 0 58 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.887 125.0 51.8 -60.4 -44.0 0.6 66.8 -22.3 661 662 A E H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.950 116.6 37.7 -68.0 -50.6 -3.0 66.6 -23.2 662 663 A I H X S+ 0 0 2 -4,-0.5 4,-2.6 2,-0.2 5,-0.3 0.930 117.4 52.7 -60.7 -44.6 -3.6 63.0 -22.1 663 664 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.910 110.8 46.4 -60.2 -42.3 -1.3 63.5 -19.1 664 665 A E H X S+ 0 0 75 -4,-3.1 4,-1.2 -5,-0.2 -1,-0.2 0.917 111.7 53.7 -66.1 -40.4 -3.2 66.6 -17.9 665 666 A Y H >X S+ 0 0 19 -4,-2.1 4,-0.9 -5,-0.3 3,-0.6 0.946 112.9 39.4 -60.5 -51.8 -6.4 64.8 -18.4 666 667 A V H 3< S+ 0 0 6 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.861 112.0 57.2 -73.4 -33.6 -5.6 61.8 -16.3 667 668 A K H 3< S+ 0 0 78 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.747 118.5 34.4 -61.8 -24.3 -3.8 63.8 -13.7 668 669 A K H << S+ 0 0 149 -4,-1.2 2,-0.4 -3,-0.6 -2,-0.2 0.468 114.0 55.8-114.4 1.9 -7.1 65.8 -13.3 669 670 A N < - 0 0 61 -4,-0.9 -1,-0.2 -3,-0.4 3,-0.0 -0.940 62.4-158.4-143.5 113.4 -9.8 63.3 -13.9 670 671 A K - 0 0 174 -2,-0.4 2,-0.1 1,-0.1 -551,-0.1 -0.538 37.4 -96.1 -81.4 152.0 -10.3 60.1 -12.0 671 672 A P 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -555,-0.0 -0.471 360.0 360.0 -68.3 142.2 -12.3 57.3 -13.5 672 673 A S 0 0 140 -2,-0.1 -556,-0.0 -3,-0.0 -3,-0.0 0.438 360.0 360.0-151.2 360.0 -16.0 57.3 -12.3 673 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 674 693 A E 0 0 18 0, 0.0 -358,-0.1 0, 0.0 -623,-0.1 0.000 360.0 360.0 360.0 360.0 1.3 34.7 -19.8