==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 01-MAR-10 3LZD . COMPND 2 MOLECULE: DPH2; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR A.T.TORELLI,Y.ZHANG,X.ZHU,M.LEE,B.DZIKOVSKI,R.M.KORALEWSKI,E . 677 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 109 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 53 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.6 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 3 2 3 3 0 0 5 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 4 7 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 PARALLEL BRIDGES PER LADDER . 3 0 4 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 2 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 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 L 0 0 104 0, 0.0 94,-0.4 0, 0.0 333,-0.0 0.000 360.0 360.0 360.0 -34.2 19.0 13.1 36.4 2 3 A H + 0 0 63 92,-0.1 2,-0.3 2,-0.1 95,-0.1 0.137 360.0 57.4-106.8 16.2 21.2 12.0 33.5 3 4 A E S S- 0 0 75 91,-0.0 92,-0.0 0, 0.0 0, 0.0 -0.935 95.9 -94.0-140.7 162.1 18.2 11.1 31.4 4 5 A I - 0 0 48 -2,-0.3 2,-2.5 1,-0.1 3,-0.2 -0.699 36.5-138.3 -79.4 110.3 15.0 12.7 30.1 5 6 A P > + 0 0 32 0, 0.0 4,-2.4 0, 0.0 3,-0.2 -0.424 27.3 179.0 -71.4 77.4 12.4 11.9 32.7 6 7 A K H > S+ 0 0 29 -2,-2.5 4,-2.3 1,-0.2 5,-0.1 0.883 78.8 45.6 -45.6 -49.1 9.7 11.1 30.1 7 8 A S H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.860 109.2 52.4 -68.2 -38.1 7.2 10.3 32.8 8 9 A E H > S+ 0 0 112 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 112.4 49.1 -64.8 -33.6 7.9 13.2 35.1 9 10 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.924 110.2 48.0 -71.0 -44.1 7.3 15.4 32.0 10 11 A L H X S+ 0 0 23 -4,-2.3 4,-3.4 -5,-0.2 3,-0.4 0.954 110.8 54.2 -59.6 -47.9 4.0 13.7 31.1 11 12 A K H X S+ 0 0 52 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.915 109.3 45.4 -52.0 -52.4 2.9 14.1 34.7 12 13 A E H X S+ 0 0 56 -4,-2.0 4,-0.8 1,-0.2 -1,-0.3 0.793 116.0 48.3 -64.2 -27.6 3.6 17.9 34.8 13 14 A L H <>S+ 0 0 0 -4,-1.7 5,-2.2 -3,-0.4 3,-0.5 0.908 110.9 47.7 -78.9 -42.7 1.9 18.2 31.4 14 15 A K H ><5S+ 0 0 108 -4,-3.4 3,-0.8 1,-0.2 -2,-0.2 0.849 107.6 61.1 -64.1 -33.2 -1.2 16.2 32.4 15 16 A R H 3<5S+ 0 0 145 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.814 109.6 37.7 -64.8 -34.1 -1.4 18.2 35.5 16 17 A I T 3<5S- 0 0 64 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.358 113.2-116.4-100.5 8.6 -1.8 21.5 33.7 17 18 A G T < 5 + 0 0 36 -3,-0.8 2,-0.2 -4,-0.4 -3,-0.2 0.801 48.1 176.2 65.8 32.6 -4.1 20.0 31.0 18 19 A A < + 0 0 6 -5,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.501 16.1 171.1 -74.3 134.6 -1.7 20.6 28.1 19 20 A K + 0 0 137 1,-0.3 27,-3.3 -2,-0.2 2,-0.4 0.660 68.7 34.4-111.9 -28.3 -2.9 19.2 24.8 20 21 A R E +a 46 0A 65 25,-0.2 51,-2.3 49,-0.1 52,-1.1 -0.973 69.5 179.4-135.3 119.6 -0.4 20.7 22.3 21 22 A V E -ab 47 72A 0 25,-2.6 27,-2.6 -2,-0.4 2,-0.4 -0.915 20.3-143.9-126.5 149.6 3.3 21.3 23.2 22 23 A L E -ab 48 73A 0 50,-2.1 52,-3.2 -2,-0.3 2,-0.5 -0.905 16.0-156.3-107.3 135.0 6.3 22.7 21.4 23 24 A I E -ab 49 74A 1 25,-2.3 27,-2.7 -2,-0.4 2,-0.3 -0.939 6.7-169.2-116.3 119.2 9.7 21.1 22.1 24 25 A Q E - b 0 75A 1 50,-2.7 52,-2.3 -2,-0.5 29,-0.1 -0.760 10.9-179.5-102.0 154.5 13.0 23.0 21.5 25 26 A S - 0 0 1 27,-0.5 29,-1.9 25,-0.3 52,-0.1 -0.999 25.3-120.6-152.3 151.3 16.4 21.4 21.7 26 27 A P > - 0 0 21 0, 0.0 3,-1.8 0, 0.0 29,-0.1 -0.366 48.8 -90.0 -82.2 171.3 20.1 22.1 21.3 27 28 A E G > S+ 0 0 63 27,-0.4 3,-1.0 1,-0.3 28,-0.1 0.835 122.8 54.6 -50.9 -43.7 22.3 20.4 18.7 28 29 A G G 3 S+ 0 0 67 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.522 109.2 46.0 -74.6 -3.4 23.3 17.5 20.9 29 30 A L G <> + 0 0 38 -3,-1.8 4,-1.8 1,-0.1 -1,-0.2 0.040 69.9 116.4-126.8 29.5 19.7 16.4 21.8 30 31 A R H <> S+ 0 0 5 -3,-1.0 4,-1.4 1,-0.2 -2,-0.1 0.898 82.9 44.5 -64.8 -40.4 17.9 16.5 18.4 31 32 A R H > S+ 0 0 147 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.845 110.9 54.8 -72.7 -33.3 17.2 12.7 18.4 32 33 A E H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.854 103.1 57.5 -67.5 -34.9 16.1 12.9 22.1 33 34 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.936 108.1 45.5 -60.5 -47.3 13.6 15.6 21.2 34 35 A E H X S+ 0 0 22 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.823 111.6 51.4 -67.7 -32.6 11.9 13.3 18.6 35 36 A E H X S+ 0 0 66 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.892 110.6 49.1 -70.5 -39.8 11.8 10.3 21.0 36 37 A L H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.902 111.0 50.6 -64.3 -40.4 10.2 12.4 23.7 37 38 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.911 108.9 50.7 -63.5 -45.0 7.7 13.7 21.2 38 39 A G H X S+ 0 0 23 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.904 111.8 48.9 -59.7 -40.7 6.8 10.1 20.1 39 40 A F H < S+ 0 0 54 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.918 112.0 46.8 -65.1 -45.7 6.4 9.2 23.7 40 41 A L H ><>S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 5,-0.9 0.884 108.4 55.4 -66.7 -36.9 4.1 12.2 24.5 41 42 A E H ><5S+ 0 0 48 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.770 99.8 60.1 -66.6 -26.2 2.0 11.6 21.4 42 43 A E T 3<5S+ 0 0 152 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.498 104.9 54.0 -77.7 -2.5 1.3 8.0 22.5 43 44 A N T < 5S- 0 0 49 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 -0.079 127.2 -92.5-122.3 31.5 -0.2 9.7 25.6 44 45 A N T < 5S+ 0 0 145 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.838 85.6 121.4 64.8 40.0 -2.7 12.0 23.9 45 46 A I < - 0 0 5 -5,-0.9 2,-0.3 -8,-0.1 -25,-0.2 -0.993 58.7-132.7-132.9 122.0 -0.7 15.2 23.6 46 47 A E E -a 20 0A 64 -27,-3.3 -25,-2.6 -2,-0.4 2,-0.4 -0.597 28.7-158.7 -74.0 135.1 -0.0 16.7 20.2 47 48 A V E -a 21 0A 1 -2,-0.3 557,-0.6 -27,-0.2 2,-0.4 -0.968 16.4-173.8-126.4 133.0 3.6 17.5 19.8 48 49 A F E -ac 22 604A 2 -27,-2.6 -25,-2.3 -2,-0.4 2,-0.4 -0.926 19.2-139.2-116.8 143.2 5.5 20.0 17.5 49 50 A L E -ac 23 605A 0 555,-2.3 557,-2.7 -2,-0.4 2,-0.6 -0.866 18.2-126.1-102.1 137.4 9.3 20.2 17.3 50 51 A H E - c 0 606A 11 -27,-2.7 -25,-0.3 -2,-0.4 557,-0.2 -0.748 18.4-155.1 -82.1 123.7 10.9 23.6 17.1 51 52 A G + 0 0 0 555,-3.3 556,-0.2 -2,-0.6 -1,-0.1 0.694 63.6 94.1 -74.1 -21.6 13.1 23.4 14.0 52 53 A E S S- 0 0 22 554,-0.6 2,-0.6 1,-0.1 -27,-0.5 -0.290 83.3-114.1 -67.0 157.8 15.5 26.1 15.0 53 54 A I - 0 0 43 -29,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.858 33.6-141.0 -94.7 125.4 18.7 25.0 16.8 54 55 A N - 0 0 4 -29,-1.9 -27,-0.4 -2,-0.6 3,-0.1 -0.671 23.6-178.6 -93.3 143.1 18.7 26.3 20.3 55 56 A Y - 0 0 181 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.447 62.2 -16.6-116.8 0.8 21.7 27.7 22.1 56 57 A G > - 0 0 9 3,-0.2 3,-1.7 22,-0.1 -1,-0.3 -0.936 64.9 -92.3 172.2 165.9 20.4 28.6 25.6 57 58 A A T 3 S+ 0 0 7 1,-0.3 24,-0.3 -2,-0.3 -1,-0.1 0.517 112.0 79.3 -72.5 -4.2 17.5 29.4 27.9 58 59 A C T 3 S+ 0 0 15 1,-0.3 181,-3.1 181,-0.1 182,-0.4 0.529 93.0 52.0 -78.4 -6.2 18.1 33.0 26.9 59 60 A D S < S+ 0 0 24 -3,-1.7 -1,-0.3 179,-0.2 -3,-0.2 -0.492 75.7 175.0-130.6 64.1 16.2 32.1 23.8 60 61 A P - 0 0 1 0, 0.0 3,-0.4 0, 0.0 178,-0.3 -0.413 28.2-142.9 -68.0 144.1 12.9 30.5 24.9 61 62 A A > + 0 0 1 1,-0.2 4,-2.4 2,-0.1 5,-0.1 -0.110 62.4 122.3-100.6 35.9 10.5 29.7 22.0 62 63 A D H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 72.3 50.4 -66.0 -38.4 7.4 30.6 24.0 63 64 A R H > S+ 0 0 38 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.952 111.4 47.6 -65.0 -47.8 6.2 33.2 21.6 64 65 A E H > S+ 0 0 32 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.925 110.5 53.1 -57.8 -44.1 6.5 30.9 18.6 65 66 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-1.0 0.935 108.6 50.0 -54.9 -48.1 4.7 28.2 20.7 66 67 A K H ><5S+ 0 0 118 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.917 105.6 58.2 -56.2 -45.0 1.9 30.8 21.2 67 68 A L H 3<5S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.694 111.4 39.5 -59.8 -24.6 1.8 31.5 17.5 68 69 A V T <<5S- 0 0 4 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.136 120.1-103.7-113.0 18.2 1.0 27.9 16.6 69 70 A G T < 5 + 0 0 42 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.817 62.5 155.2 69.6 33.9 -1.4 27.3 19.4 70 71 A C < - 0 0 5 -5,-2.5 -49,-0.2 -6,-0.1 -1,-0.2 -0.757 34.7-153.8 -91.1 140.1 0.7 25.2 21.8 71 72 A D S S+ 0 0 57 -51,-2.3 2,-0.3 -2,-0.4 -50,-0.2 0.479 76.5 20.9 -90.9 -1.1 -0.4 25.5 25.4 72 73 A A E -b 21 0A 0 -52,-1.1 -50,-2.1 15,-0.2 2,-0.4 -0.993 64.5-139.3-161.0 161.1 3.1 24.6 26.7 73 74 A L E -bd 22 89A 0 15,-2.7 17,-2.9 -2,-0.3 2,-0.6 -0.970 5.8-155.5-126.9 137.3 6.8 24.6 25.8 74 75 A I E -bd 23 90A 0 -52,-3.2 -50,-2.7 -2,-0.4 2,-0.7 -0.970 11.2-163.6-112.3 122.2 9.4 22.0 26.6 75 76 A H E -bd 24 91A 0 15,-3.7 17,-2.7 -2,-0.6 3,-0.5 -0.879 11.0-159.1-109.1 102.7 12.9 23.4 26.7 76 77 A L E + d 0 92A 1 -52,-2.3 -47,-0.1 -2,-0.7 18,-0.1 -0.522 61.9 16.0 -85.1 149.0 15.5 20.7 26.5 77 78 A G E S+ d 0 93A 14 15,-2.2 17,-0.7 -2,-0.2 2,-0.3 0.249 106.7 70.7 84.4 -11.0 19.2 21.0 27.5 78 79 A H - 0 0 43 -3,-0.5 14,-0.3 15,-0.2 2,-0.2 -0.972 69.0-126.1-139.9 155.1 19.2 24.1 29.6 79 80 A S - 0 0 7 -2,-0.3 -22,-0.2 13,-0.1 13,-0.1 -0.527 46.0 -77.9 -93.8 164.6 17.9 25.3 33.0 80 81 A Y - 0 0 27 -2,-0.2 2,-0.4 11,-0.1 251,-0.1 -0.315 37.4-171.4 -67.0 138.7 15.7 28.3 33.6 81 82 A M - 0 0 13 -24,-0.3 71,-0.2 -2,-0.1 2,-0.1 -0.968 45.6 -84.9-125.1 142.5 17.0 31.9 33.6 82 83 A K S S+ 0 0 142 69,-2.3 69,-0.0 -2,-0.4 72,-0.0 -0.258 73.0 128.3 -55.5 120.4 14.6 34.7 34.7 83 84 A L - 0 0 22 -2,-0.1 2,-0.2 2,-0.0 257,-0.1 -0.953 63.1 -95.2-166.0 149.5 12.4 35.9 31.8 84 85 A P - 0 0 83 0, 0.0 2,-0.4 0, 0.0 154,-0.0 -0.517 41.7-158.0 -73.3 142.4 8.8 36.4 31.2 85 86 A L - 0 0 9 -2,-0.2 255,-0.6 1,-0.1 4,-0.1 -0.982 17.4-153.8-124.2 134.7 7.2 33.4 29.5 86 87 A E S S+ 0 0 89 -2,-0.4 -1,-0.1 253,-0.1 253,-0.0 0.693 82.6 25.0 -79.7 -19.7 4.0 33.4 27.4 87 88 A V S S- 0 0 9 251,-0.0 -15,-0.2 -14,-0.0 253,-0.2 -0.965 101.9 -78.8-140.6 156.3 3.2 29.7 28.0 88 89 A P - 0 0 39 0, 0.0 -15,-2.7 0, 0.0 2,-0.4 -0.321 53.9-159.3 -54.9 134.5 4.0 27.2 30.8 89 90 A T E -dE 73 338A 0 249,-3.0 249,-2.5 -17,-0.2 2,-0.6 -0.972 15.4-156.6-126.5 130.5 7.5 26.0 30.1 90 91 A I E -dE 74 337A 2 -17,-2.9 -15,-3.7 -2,-0.4 2,-0.5 -0.914 13.1-155.9-102.9 122.6 9.3 22.9 31.3 91 92 A F E -dE 75 336A 3 245,-2.3 245,-1.6 -2,-0.6 -15,-0.2 -0.887 5.3-166.9 -99.9 129.4 13.1 23.2 31.4 92 93 A V E -d 76 0A 9 -17,-2.7 -15,-2.2 -2,-0.5 243,-0.1 -0.737 13.5-155.7-119.4 80.0 15.0 19.9 31.2 93 94 A P E -d 77 0A 13 0, 0.0 2,-0.5 0, 0.0 -15,-0.2 -0.140 13.0-126.5 -54.6 145.7 18.6 20.6 32.1 94 95 A A - 0 0 45 -17,-0.7 2,-0.5 -18,-0.1 -92,-0.1 -0.843 23.1-166.2 -98.9 128.7 21.4 18.2 30.8 95 96 A F - 0 0 15 -2,-0.5 2,-0.2 -94,-0.4 31,-0.2 -0.968 14.2-137.7-119.5 122.9 23.7 16.7 33.4 96 97 A A - 0 0 16 29,-2.5 32,-0.1 -2,-0.5 -94,-0.0 -0.553 9.5-141.1 -76.9 141.3 26.9 15.0 32.4 97 98 A R + 0 0 171 -2,-0.2 -1,-0.1 -95,-0.1 -95,-0.0 0.840 59.6 120.3 -72.5 -33.8 27.7 11.8 34.3 98 99 A V - 0 0 30 1,-0.1 2,-0.4 2,-0.1 -2,-0.1 0.040 61.7-132.1 -41.4 125.4 31.4 12.3 34.7 99 100 A S - 0 0 63 1,-0.1 4,-0.3 101,-0.1 -1,-0.1 -0.660 15.2-160.8 -77.8 131.8 32.6 12.4 38.3 100 101 A V > + 0 0 1 -2,-0.4 4,-1.1 1,-0.1 3,-0.4 0.682 69.0 83.5 -91.1 -16.8 35.0 15.3 38.8 101 102 A V H >> S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 3,-1.1 0.908 84.5 56.2 -54.4 -50.4 36.8 14.4 42.0 102 103 A E H 3> S+ 0 0 56 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.898 107.3 51.4 -50.0 -43.0 39.5 12.1 40.4 103 104 A A H 3> S+ 0 0 2 -3,-0.4 4,-0.7 -4,-0.3 -1,-0.3 0.776 110.8 47.9 -67.9 -26.0 40.6 15.0 38.1 104 105 A L H << S+ 0 0 0 -3,-1.1 3,-0.3 -4,-1.1 7,-0.2 0.881 109.7 51.9 -78.8 -41.6 40.9 17.4 41.1 105 106 A K H >< S+ 0 0 44 -4,-2.6 3,-1.7 1,-0.2 4,-0.2 0.932 107.0 54.5 -58.2 -46.1 42.9 14.9 43.1 106 107 A E H 3< S+ 0 0 126 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.789 116.7 36.6 -58.1 -32.7 45.3 14.4 40.2 107 108 A N T >X S+ 0 0 13 -4,-0.7 4,-2.2 -3,-0.3 3,-1.2 0.080 75.9 122.4-111.6 23.6 45.9 18.2 40.1 108 109 A I H <> S+ 0 0 52 -3,-1.7 4,-1.9 1,-0.3 -1,-0.2 0.831 72.0 60.4 -55.1 -31.7 45.8 18.9 43.8 109 110 A G H 3> S+ 0 0 45 -3,-0.3 4,-0.5 -4,-0.2 -1,-0.3 0.839 108.2 42.5 -66.4 -32.4 49.3 20.3 43.5 110 111 A E H X4 S+ 0 0 41 -3,-1.2 3,-0.9 2,-0.2 4,-0.3 0.869 109.1 56.8 -80.9 -37.6 48.2 23.0 41.0 111 112 A I H >X S+ 0 0 0 -4,-2.2 3,-2.5 1,-0.3 4,-0.5 0.896 97.4 64.8 -60.5 -36.6 45.0 23.8 42.9 112 113 A K H >< S+ 0 0 57 -4,-1.9 3,-1.5 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A R T 3 S+ 0 0 22 -71,-0.2 -1,-0.3 173,-0.2 2,-0.3 0.689 97.0 74.3 -81.1 -18.8 20.5 35.0 34.8 153 154 A I < - 0 0 2 -3,-1.4 -71,-0.2 1,-0.1 6,-0.1 -0.662 64.3-159.4 -95.6 149.4 22.1 32.0 36.7 154 155 A S S S+ 0 0 2 -2,-0.3 177,-2.4 1,-0.2 -1,-0.1 0.758 72.7 18.5 -97.8 -32.7 20.2 28.8 37.8 155 156 A W S > S- 0 0 0 175,-0.2 3,-1.9 3,-0.0 -1,-0.2 -0.990 88.3 -90.9-141.8 150.2 22.5 27.4 40.6 156 157 A P T 3 S+ 0 0 34 0, 0.0 -8,-0.3 0, 0.0 -7,-0.1 -0.307 113.3 24.7 -58.3 139.6 25.2 28.7 42.9 157 158 A G T 3 S+ 0 0 0 -10,-2.3 -35,-2.2 1,-0.3 2,-0.4 0.308 90.6 127.7 89.0 -10.5 28.6 28.1 41.2 158 159 A Q B < -k 122 0B 5 -3,-1.9 8,-0.4 -10,-0.2 2,-0.3 -0.651 38.0-167.1 -84.8 131.2 27.3 28.1 37.6 159 160 A V - 0 0 2 -37,-2.3 -35,-0.4 -2,-0.4 2,-0.3 -0.828 4.2-159.5-113.0 156.5 28.9 30.3 35.0 160 161 A L B > -N 163 0C 39 3,-2.4 3,-1.3 -2,-0.3 -7,-0.0 -0.852 37.8-105.0-124.5 161.0 27.6 31.1 31.5 161 162 A G T 3 S+ 0 0 9 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.814 124.5 35.3 -57.3 -28.3 29.7 32.4 28.6 162 163 A C T 3 S+ 0 0 14 1,-0.2 160,-2.6 159,-0.1 2,-0.3 0.274 117.2 54.9-109.4 7.1 28.1 35.8 29.3 163 164 A N B < +N 160 0C 0 -3,-1.3 -3,-2.4 158,-0.2 3,-0.2 -0.864 38.4 162.8-149.9 117.1 27.8 35.8 33.0 164 165 A Y > + 0 0 0 -2,-0.3 3,-2.0 -5,-0.2 4,-0.2 -0.024 35.9 128.2-117.4 29.2 30.3 35.2 35.7 165 166 A S G > + 0 0 20 1,-0.3 3,-1.9 2,-0.2 -16,-0.4 0.827 64.6 66.8 -55.9 -34.0 28.4 36.6 38.7 166 167 A V G 3 S+ 0 0 1 -8,-0.4 -19,-1.1 1,-0.3 -1,-0.3 0.716 99.7 53.7 -61.7 -17.4 29.0 33.4 40.7 167 168 A A G < S+ 0 0 1 -3,-2.0 2,-1.5 1,-0.2 -1,-0.3 0.404 77.7 96.4 -98.0 1.6 32.7 34.3 40.8 168 169 A K < + 0 0 103 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.2 -0.466 66.4 102.7 -90.5 63.8 32.4 37.8 42.1 169 170 A V S S- 0 0 42 -2,-1.5 2,-0.2 -24,-0.1 -50,-0.1 -0.799 84.9 -71.9-134.4 173.8 33.0 36.8 45.7 170 171 A R S S+ 0 0 84 -2,-0.3 2,-0.2 -52,-0.1 -2,-0.0 -0.518 74.5 121.5 -70.2 135.7 35.9 36.9 48.2 171 172 A G - 0 0 17 -2,-0.2 -53,-0.2 1,-0.1 3,-0.1 -0.752 59.4-129.3 168.9 144.8 38.6 34.4 47.2 172 173 A E S S+ 0 0 104 -55,-2.7 22,-0.5 -2,-0.2 2,-0.3 0.924 88.5 0.5 -75.2 -48.1 42.3 34.3 46.3 173 174 A G E S-jl 118 194B 0 -56,-0.8 -54,-2.5 20,-0.1 2,-0.4 -0.880 71.4-119.0-136.7 168.9 42.1 32.3 43.1 174 175 A I E -jl 119 195B 0 20,-3.3 22,-2.7 -2,-0.3 2,-0.5 -0.938 13.4-156.8-117.7 131.9 39.4 30.7 40.9 175 176 A L E -jl 120 196B 0 -56,-3.7 -54,-2.6 -2,-0.4 2,-0.5 -0.914 9.4-164.4-104.1 127.4 39.1 27.0 40.0 176 177 A F E -jl 121 197B 0 20,-3.4 22,-3.2 -2,-0.5 2,-0.7 -0.960 3.5-158.9-112.6 125.7 37.1 26.2 36.9 177 178 A I E +jl 122 198B 3 -56,-2.3 -54,-0.7 -2,-0.5 2,-0.3 -0.905 51.3 62.6-104.6 112.9 35.9 22.6 36.4 178 179 A G S S- 0 0 3 20,-2.1 2,-0.2 -2,-0.7 -2,-0.1 -0.938 74.9 -80.5 161.0 178.1 35.1 21.8 32.7 179 180 A S S S+ 0 0 52 -2,-0.3 4,-0.2 20,-0.1 19,-0.1 -0.570 77.6 44.7-102.3 169.2 36.3 21.5 29.2 180 181 A G S S- 0 0 59 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 0.201 70.9-111.6 81.6 157.2 36.9 24.3 26.6 181 182 A I S > S+ 0 0 97 2,-0.1 4,-2.2 3,-0.1 5,-0.2 0.652 93.2 79.2-103.6 -19.0 38.6 27.6 26.8 182 183 A F H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.959 97.9 42.1 -57.6 -54.0 35.8 30.2 26.5 183 184 A H H > S+ 0 0 35 -4,-0.2 4,-2.5 2,-0.2 5,-0.2 0.944 114.6 48.1 -60.0 -51.6 34.5 30.0 30.0 184 185 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.902 113.7 50.1 -56.5 -39.6 37.8 29.9 31.8 185 186 A L H X S+ 0 0 26 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.918 108.6 50.9 -63.9 -45.1 39.0 32.9 29.7 186 187 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.909 109.4 52.5 -59.5 -41.3 35.8 34.8 30.5 187 188 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 6,-0.4 0.944 109.6 48.0 -58.8 -50.5 36.4 34.2 34.2 188 189 A A H X S+ 0 0 5 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.877 116.8 41.6 -59.5 -42.7 40.0 35.5 34.0 189 190 A V H < S+ 0 0 17 -4,-2.3 130,-0.4 2,-0.2 -1,-0.2 0.842 117.5 47.8 -76.6 -30.9 39.0 38.7 32.2 190 191 A A H < S+ 0 0 21 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.864 125.0 27.0 -77.4 -38.3 35.9 39.3 34.2 191 192 A T H < S- 0 0 21 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.572 89.0-141.6 -99.9 -13.5 37.4 38.8 37.7 192 193 A R < + 0 0 92 -4,-1.2 2,-0.2 -5,-0.4 -4,-0.1 0.773 64.0 123.3 54.8 25.0 40.9 39.8 36.8 193 194 A K S S- 0 0 72 -6,-0.4 2,-0.3 -5,-0.2 -1,-0.2 -0.617 74.3 -80.2-108.7 172.4 41.9 37.0 39.2 194 195 A K E -l 173 0B 54 -22,-0.5 -20,-3.3 -2,-0.2 2,-0.5 -0.550 47.0-160.8 -74.7 129.1 44.0 33.9 38.7 195 196 A V E -l 174 0B 2 13,-0.4 13,-2.5 -2,-0.3 2,-0.5 -0.951 14.3-173.1-121.0 130.3 42.1 31.1 37.0 196 197 A L E -lM 175 207B 0 -22,-2.7 -20,-3.4 -2,-0.5 2,-0.4 -0.980 12.6-161.7-116.8 119.9 43.0 27.4 37.0 197 198 A A E -lM 176 206B 9 9,-2.6 9,-1.8 -2,-0.5 2,-0.5 -0.870 4.2-168.5-104.5 135.5 40.8 25.2 34.7 198 199 A I E -lM 177 205B 1 -22,-3.2 -20,-2.1 -2,-0.4 7,-0.2 -0.979 15.2-142.7-128.5 120.3 40.6 21.5 35.1 199 200 A D > - 0 0 32 5,-2.4 4,-2.0 -2,-0.5 5,-0.2 -0.692 7.6-152.4 -79.9 119.9 39.0 19.2 32.5 200 201 A P T 4 S+ 0 0 8 0, 0.0 -97,-0.2 0, 0.0 -1,-0.1 0.715 91.3 46.8 -67.7 -20.4 37.2 16.4 34.3 201 202 A Y T 4 S+ 0 0 124 1,-0.1 -102,-0.0 3,-0.1 -22,-0.0 0.918 125.3 24.4 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231 301D 0 19,-2.6 21,-2.9 -2,-0.3 2,-0.4 -0.898 4.9-157.6-127.4 155.2 29.8 46.8 14.0 282 283 A V E -pr 232 302D 0 -51,-2.4 -49,-3.1 -2,-0.3 2,-0.7 -0.988 14.4-152.3-129.5 118.2 29.0 46.7 17.7 283 284 A V E -p 233 0D 1 19,-2.9 2,-0.5 -2,-0.4 -49,-0.1 -0.845 13.4-178.6 -95.7 118.4 27.1 43.7 18.9 284 285 A V + 0 0 0 -51,-2.9 -42,-0.6 -2,-0.7 -49,-0.4 -0.641 64.5 56.9-115.2 69.2 25.0 44.5 21.9 285 286 A A S S+ 0 0 1 -2,-0.5 -51,-0.1 -51,-0.2 -44,-0.0 -0.264 105.4 9.9-154.7-114.2 23.5 41.1 22.6 286 287 A C > - 0 0 27 1,-0.1 3,-1.6 -2,-0.1 35,-0.1 -0.756 59.8-150.1 -88.1 118.9 25.4 37.9 23.2 287 288 A P T 3> S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.715 89.7 73.9 -56.7 -27.6 29.2 38.6 23.7 288 289 A R H 3> S+ 0 0 86 1,-0.2 4,-1.6 2,-0.2 -2,-0.0 0.843 88.4 64.5 -58.2 -32.3 30.2 35.2 22.4 289 290 A V H <4 S+ 0 0 40 -3,-1.6 3,-0.2 1,-0.2 -1,-0.2 0.973 115.6 23.6 -58.7 -57.7 29.3 36.6 18.9 290 291 A P H 4 S+ 0 0 2 0, 0.0 3,-0.5 0, 0.0 -2,-0.2 0.842 127.0 49.2 -81.1 -25.9 32.0 39.3 18.7 291 292 A L 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2,-0.2 -11,-0.2 -19,-0.2 -0.994 8.7-177.9-128.1 127.1 33.0 43.7 15.2 302 303 A L E -r 282 0D 0 -21,-2.9 -19,-2.9 -2,-0.4 -11,-0.1 -0.753 25.1-118.2-122.9 168.2 33.1 44.9 18.8 303 304 A T > - 0 0 0 -2,-0.2 4,-1.7 -21,-0.2 3,-0.4 -0.585 40.6-103.1 -96.3 164.9 31.3 44.7 22.2 304 305 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.905 122.1 52.3 -54.1 -45.6 29.8 47.8 23.9 305 306 A K H > S+ 0 0 36 1,-0.2 4,-1.1 2,-0.2 9,-0.1 0.834 106.9 52.6 -61.6 -34.7 32.7 47.9 26.4 306 307 A E H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.834 102.9 58.5 -71.7 -31.6 35.2 47.9 23.6 307 308 A V H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.937 102.9 53.3 -61.0 -45.9 33.4 50.8 21.9 308 309 A E H <>S+ 0 0 13 -4,-1.6 5,-2.7 1,-0.2 6,-1.7 0.829 109.2 49.0 -59.0 -33.4 34.0 52.9 25.0 309 310 A I H ><5S+ 0 0 15 -4,-1.1 3,-1.3 4,-0.2 -1,-0.2 0.940 110.8 50.2 -71.8 -45.1 37.7 52.1 24.8 310 311 A L H 3<5S+ 0 0 12 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.901 110.1 49.4 -58.4 -44.0 37.8 53.0 21.1 311 312 A L T 3<5S- 0 0 17 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1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.865 107.1 55.1 -65.1 -33.8 4.5 15.8 -4.2 646 308 B V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.881 106.5 53.0 -67.5 -31.7 3.8 14.0 -0.9 647 309 B E H <>S+ 0 0 20 -4,-1.6 5,-2.2 -5,-0.2 6,-0.7 0.926 110.0 47.1 -65.5 -42.6 0.3 13.3 -2.2 648 310 B I H ><5S+ 0 0 5 -4,-1.9 3,-2.1 4,-0.2 -2,-0.2 0.925 109.5 54.3 -63.0 -45.5 1.8 11.8 -5.4 649 311 B L H 3<5S+ 0 0 4 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.895 108.5 48.1 -56.2 -42.2 4.2 9.8 -3.3 650 312 B L T 3<5S- 0 0 18 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.295 117.2-117.9 -81.4 9.9 1.3 8.3 -1.3 651 313 B G T < 5S+ 0 0 46 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.556 85.2 118.6 65.9 9.1 -0.3 7.6 -4.6 652 314 B L S