==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE,TRANSFERASE 02-APR-12 4EHI . COMPND 2 MOLECULE: BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI SUBSP. JEJUNI; . AUTHOR J.S.BRUNZELLE,Z.WAWRZAK,O.ONOPRIYENKO,J.KWOK,W.F.ANDERSON, . 990 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 670 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 46 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 2 4 3 4 1 6 4 2 0 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 5 2 6 6 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 . 4 2 4 2 6 4 1 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 2 0 2 0 0 0 1 0 0 0 2 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 -12 A D 0 0 193 0, 0.0 2,-0.2 0, 0.0 59,-0.1 0.000 360.0 360.0 360.0 -57.2 38.8 7.3 -32.0 2 -11 A L - 0 0 35 57,-0.3 59,-2.7 2,-0.0 2,-0.3 -0.507 360.0-171.7 -78.7 144.0 40.7 8.5 -28.9 3 -10 A G B > -a 61 0A 0 57,-0.3 3,-1.9 -2,-0.2 59,-0.2 -0.816 41.8-103.9-126.1 167.2 38.9 9.8 -25.8 4 -9 A T G > S+ 0 0 0 57,-2.1 3,-1.5 1,-0.3 555,-0.4 0.782 119.5 67.5 -62.7 -24.5 40.0 11.5 -22.5 5 -8 A E G 3 S+ 0 0 43 1,-0.3 -1,-0.3 56,-0.3 557,-0.1 0.665 96.3 55.0 -66.2 -21.0 39.4 8.0 -20.9 6 -7 A N G < S+ 0 0 54 -3,-1.9 61,-1.8 552,-0.1 2,-0.4 0.338 89.2 100.4 -93.2 1.2 42.4 6.7 -22.9 7 -6 A L E < +b 67 0B 0 -3,-1.5 552,-3.2 59,-0.2 553,-0.3 -0.766 48.6 178.7 -97.2 136.4 44.8 9.4 -21.6 8 -5 A Y E -bC 68 558B 46 59,-2.0 61,-2.1 -2,-0.4 2,-0.4 -0.907 34.4 -94.9-132.5 158.2 47.3 8.6 -18.8 9 -4 A F E +b 69 0B 17 548,-3.2 548,-0.4 -2,-0.3 2,-0.3 -0.612 46.4 165.6 -79.6 127.7 50.0 10.6 -16.9 10 -3 A Q > - 0 0 72 59,-2.3 3,-1.3 -2,-0.4 4,-0.2 -0.924 32.9-130.0-148.8 118.9 53.5 10.2 -18.2 11 -2 A S T 3 S+ 0 0 69 -2,-0.3 103,-0.1 1,-0.2 102,-0.1 -0.385 95.9 17.6 -64.3 140.2 56.6 12.3 -17.5 12 -1 A N T 3 S+ 0 0 130 101,-0.3 -1,-0.2 58,-0.1 58,-0.1 0.614 82.2 128.2 67.7 21.0 58.5 13.4 -20.7 13 0 A A < - 0 0 12 -3,-1.3 26,-0.1 2,-0.1 -2,-0.1 0.834 54.8-153.4 -69.4 -30.2 55.4 12.7 -22.9 14 1 A X + 0 0 66 1,-0.2 25,-2.7 -4,-0.2 2,-0.4 0.896 52.4 126.4 53.8 45.3 55.8 16.3 -24.3 15 2 A R E -d 39 0C 40 23,-0.2 55,-2.2 25,-0.0 56,-1.1 -0.991 45.6-158.3-138.5 123.2 52.0 16.2 -25.0 16 3 A A E -de 40 71C 0 23,-2.9 25,-3.5 -2,-0.4 2,-0.5 -0.860 8.3-150.2-108.3 136.4 49.5 18.7 -23.7 17 4 A L E -de 41 72C 0 54,-2.8 56,-2.9 -2,-0.4 2,-0.5 -0.932 16.2-172.6-103.6 118.8 45.7 18.4 -23.2 18 5 A L E +de 42 73C 0 23,-2.7 25,-0.9 -2,-0.5 2,-0.3 -0.959 21.3 147.4-117.6 109.4 43.9 21.7 -23.8 19 6 A S E + e 0 74C 21 54,-2.4 56,-0.7 -2,-0.5 2,-0.3 -0.799 21.1 164.0-145.9 94.5 40.1 21.6 -22.9 20 7 A V E - e 0 75C 7 -2,-0.3 56,-0.1 54,-0.2 3,-0.1 -0.921 39.9-163.2-124.8 146.7 38.8 25.0 -21.5 21 8 A S S S+ 0 0 40 54,-0.8 2,-0.9 -2,-0.3 -1,-0.1 0.864 97.7 55.8 -83.1 -47.2 35.4 26.8 -20.9 22 9 A D S S- 0 0 69 1,-0.1 -1,-0.2 2,-0.1 55,-0.0 -0.832 72.7-177.1 -88.1 102.3 37.2 30.2 -20.6 23 10 A K > + 0 0 80 -2,-0.9 3,-1.8 -3,-0.1 4,-0.4 0.323 29.0 139.7 -87.7 5.6 39.1 30.2 -23.9 24 11 A E T 3 S- 0 0 140 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.305 80.3 -5.5 -56.1 126.0 40.9 33.6 -23.2 25 12 A G T 3> S+ 0 0 39 1,-0.1 4,-1.8 -2,-0.0 -1,-0.3 0.502 94.1 124.6 64.8 13.0 44.5 33.4 -24.5 26 13 A I H <> + 0 0 0 -3,-1.8 4,-2.4 2,-0.2 -2,-0.1 0.794 68.6 55.1 -71.9 -29.9 44.3 29.7 -25.5 27 14 A V H > S+ 0 0 30 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.970 112.2 40.8 -67.0 -55.7 45.4 30.3 -29.1 28 15 A E H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.851 116.1 51.6 -61.2 -38.0 48.7 32.1 -28.2 29 16 A F H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.944 110.7 47.8 -65.9 -44.6 49.3 29.6 -25.4 30 17 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.876 112.3 49.9 -60.4 -40.7 48.8 26.6 -27.9 31 18 A K H X S+ 0 0 92 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.893 111.7 48.2 -64.5 -42.3 51.2 28.3 -30.4 32 19 A E H X S+ 0 0 39 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.845 111.9 49.0 -68.5 -35.9 53.8 28.8 -27.6 33 20 A L H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 -2,-0.2 0.886 110.8 50.9 -69.5 -39.3 53.5 25.1 -26.5 34 21 A E H ><5S+ 0 0 60 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.884 108.8 51.1 -63.6 -40.7 53.8 24.0 -30.1 35 22 A N H 3<5S+ 0 0 135 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.775 105.7 56.8 -67.5 -28.8 57.0 26.1 -30.6 36 23 A L T 3<5S- 0 0 55 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.397 127.3-100.2 -82.2 -0.6 58.4 24.5 -27.4 37 24 A G T < 5S+ 0 0 54 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.569 73.0 145.2 92.3 12.7 58.0 21.0 -29.0 38 25 A F < - 0 0 16 -5,-2.6 -1,-0.3 -6,-0.1 2,-0.3 -0.653 45.6-135.5 -82.8 140.9 54.7 19.9 -27.3 39 26 A E E -d 15 0C 78 -25,-2.7 -23,-2.9 -2,-0.3 2,-0.5 -0.669 28.4-134.1 -84.1 145.3 52.2 17.8 -29.2 40 27 A I E -d 16 0C 4 16,-0.5 18,-2.3 -2,-0.3 2,-0.4 -0.936 22.0-174.3-115.4 129.8 48.6 19.2 -28.6 41 28 A L E +df 17 58C 3 -25,-3.5 -23,-2.7 -2,-0.5 2,-0.3 -0.903 18.0 167.6-111.5 140.2 45.4 17.2 -27.7 42 29 A S E -df 18 59C 0 16,-1.8 18,-2.3 -2,-0.4 2,-0.3 -0.975 21.6-141.5-152.9 162.5 42.1 19.1 -27.6 43 30 A T >> - 0 0 5 -25,-0.9 4,-1.6 -2,-0.3 3,-0.9 -0.903 53.4 -32.4-126.5 158.5 38.3 18.6 -27.4 44 31 A G H 3> S- 0 0 33 16,-0.3 4,-1.6 -2,-0.3 5,-0.1 -0.023 123.4 -2.5 41.1-125.4 35.1 20.2 -28.8 45 32 A G H 3> S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.812 131.4 59.8 -66.2 -34.4 35.3 24.0 -29.4 46 33 A T H <> S+ 0 0 4 -3,-0.9 4,-2.2 1,-0.2 -2,-0.2 0.945 107.2 48.0 -60.0 -45.0 38.8 24.3 -28.0 47 34 A F H X S+ 0 0 13 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.898 112.3 47.7 -59.6 -48.6 40.0 21.9 -30.7 48 35 A K H X S+ 0 0 124 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.897 112.1 50.2 -62.5 -40.6 38.1 23.8 -33.5 49 36 A L H X S+ 0 0 48 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.890 114.2 44.2 -64.4 -42.3 39.5 27.1 -32.3 50 37 A L H ><>S+ 0 0 0 -4,-2.2 5,-1.9 2,-0.2 3,-0.9 0.945 115.0 46.7 -68.0 -50.5 43.1 25.8 -32.2 51 38 A K H ><5S+ 0 0 128 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.864 109.0 56.9 -58.1 -41.4 42.9 24.0 -35.6 52 39 A E H 3<5S+ 0 0 149 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.734 103.4 54.5 -59.1 -32.7 41.3 27.1 -37.2 53 40 A N T <<5S- 0 0 61 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.060 123.9-101.8 -96.5 24.2 44.4 29.2 -36.1 54 41 A G T < 5S+ 0 0 68 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.615 72.0 147.7 67.2 19.2 46.9 26.8 -37.9 55 42 A I < - 0 0 7 -5,-1.9 2,-0.7 1,-0.0 -1,-0.2 -0.695 55.3-119.2 -84.9 134.7 48.0 25.0 -34.7 56 43 A K + 0 0 123 -2,-0.4 -16,-0.5 -25,-0.1 2,-0.3 -0.648 54.3 157.8 -73.8 108.8 48.9 21.3 -35.2 57 44 A V - 0 0 16 -2,-0.7 2,-0.4 -18,-0.1 -16,-0.2 -0.990 35.8-145.9-139.1 145.9 46.3 19.6 -32.9 58 45 A I E -f 41 0C 87 -18,-2.3 -16,-1.8 -2,-0.3 2,-0.4 -0.941 24.8-126.2-114.4 133.0 44.7 16.1 -32.6 59 46 A E E -f 42 0C 91 -2,-0.4 -57,-0.3 -18,-0.2 2,-0.3 -0.670 23.1-173.9 -83.7 134.3 41.1 15.8 -31.5 60 47 A V - 0 0 1 -18,-2.3 -16,-0.3 -2,-0.4 -57,-0.3 -0.898 26.1-116.4-119.1 147.3 40.1 13.5 -28.6 61 48 A S B -a 3 0A 59 -59,-2.7 -57,-2.1 -2,-0.3 2,-0.3 -0.615 23.8-115.8 -87.8 148.8 36.5 12.9 -27.6 62 49 A D - 0 0 79 -2,-0.2 -1,-0.0 -59,-0.2 -18,-0.0 -0.625 12.3-138.8 -76.6 139.5 34.9 13.9 -24.3 63 50 A F 0 0 37 -2,-0.3 -1,-0.1 1,-0.2 502,-0.1 0.734 360.0 360.0 -71.5 -20.9 33.7 11.0 -22.1 64 51 A T 0 0 125 500,-0.1 501,-0.8 501,-0.1 -1,-0.2 -0.384 360.0 360.0 53.9 360.0 30.5 13.1 -21.3 65 ! 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 66 90 A I 0 0 139 0, 0.0 2,-0.3 0, 0.0 -59,-0.2 0.000 360.0 360.0 360.0 131.7 46.5 4.7 -24.7 67 91 A L E -b 7 0B 42 -61,-1.8 -59,-2.0 -52,-0.0 2,-0.2 -0.990 360.0-129.4-143.9 130.6 48.4 8.0 -24.9 68 92 A G E -b 8 0B 2 -2,-0.3 2,-0.3 -61,-0.2 -59,-0.2 -0.576 23.2-174.3 -82.7 141.2 50.7 9.8 -22.3 69 93 A I E +b 9 0B 0 -61,-2.1 -59,-2.3 -2,-0.2 -53,-0.2 -0.965 20.8 178.6-134.0 148.6 50.3 13.4 -21.3 70 94 A D S S+ 0 0 20 -55,-2.2 45,-2.6 -2,-0.3 2,-0.4 0.284 72.1 57.8-130.9 5.9 52.4 15.7 -19.0 71 95 A L E -eg 16 115C 0 -56,-1.1 -54,-2.8 43,-0.2 2,-0.5 -0.981 56.3-173.1-141.7 127.0 50.3 19.0 -19.3 72 96 A V E -eg 17 116C 0 43,-2.9 45,-2.9 -2,-0.4 2,-0.7 -0.961 3.2-179.7-123.5 108.5 46.6 19.4 -18.3 73 97 A C E +eg 18 117C 0 -56,-2.9 -54,-2.4 -2,-0.5 2,-0.4 -0.907 24.8 146.2-110.8 93.7 45.2 22.8 -19.2 74 98 A V E +e 19 0C 5 43,-2.0 2,-0.3 -2,-0.7 -54,-0.2 -0.999 20.2 177.4-135.7 135.8 41.5 22.7 -18.0 75 99 A N E -e 20 0C 8 -56,-0.7 -54,-0.8 -2,-0.4 2,-0.2 -0.931 27.2-101.6-137.7 163.5 39.2 25.4 -16.6 76 100 A L - 0 0 17 -2,-0.3 -54,-0.0 42,-0.3 19,-0.0 -0.537 29.2 -90.1-103.4 151.8 35.5 25.4 -15.5 77 101 A Y - 0 0 100 -2,-0.2 2,-2.2 1,-0.2 20,-0.3 -0.126 54.8-105.6 -44.3 134.2 31.9 26.3 -16.6 78 102 A P > + 0 0 52 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 -0.436 57.7 156.6 -76.6 78.0 31.1 29.9 -15.3 79 103 A F H > S+ 0 0 3 -2,-2.2 4,-2.1 16,-0.2 5,-0.2 0.941 72.3 49.9 -64.1 -50.2 28.8 29.0 -12.4 80 104 A K H > S+ 0 0 83 -3,-0.2 4,-1.6 1,-0.2 5,-0.2 0.935 112.2 46.8 -54.5 -55.3 29.5 32.3 -10.5 81 105 A K H > S+ 0 0 139 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.833 111.1 53.1 -56.5 -39.8 28.8 34.5 -13.5 82 106 A T H X S+ 0 0 5 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.918 108.7 48.4 -65.5 -43.4 25.6 32.6 -14.4 83 107 A T H < S+ 0 0 14 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.814 113.1 48.2 -66.5 -31.3 24.1 33.1 -10.8 84 108 A I H < S+ 0 0 119 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 118.9 40.4 -74.4 -34.3 24.9 36.9 -10.9 85 109 A X H < S+ 0 0 144 -4,-1.6 2,-0.3 -5,-0.2 -2,-0.2 0.582 123.1 24.0 -89.4 -22.4 23.3 37.2 -14.3 86 110 A S < - 0 0 27 -4,-1.6 -1,-0.1 -5,-0.1 0, 0.0 -0.994 42.6-158.2-149.0 157.3 20.3 35.0 -13.9 87 111 A D + 0 0 123 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.1 0.443 58.1 122.7-109.0 -8.5 17.9 33.4 -11.4 88 112 A D > - 0 0 87 1,-0.2 4,-1.7 2,-0.1 3,-0.4 -0.440 50.3-159.4 -61.0 105.6 16.8 30.5 -13.8 89 113 A F H > S+ 0 0 23 -2,-0.6 4,-3.1 1,-0.2 -1,-0.2 0.853 86.5 54.4 -60.7 -41.4 17.8 27.5 -11.6 90 114 A D H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.837 109.3 49.7 -62.4 -34.5 18.0 24.9 -14.4 91 115 A E H > S+ 0 0 77 -3,-0.4 4,-1.0 2,-0.2 -2,-0.2 0.883 111.2 49.4 -68.5 -40.9 20.5 27.3 -16.2 92 116 A I H >< S+ 0 0 0 -4,-1.7 3,-0.9 2,-0.2 -2,-0.2 0.948 110.3 49.7 -64.2 -48.8 22.5 27.6 -13.0 93 117 A I H >< S+ 0 0 17 -4,-3.1 3,-1.9 1,-0.3 -2,-0.2 0.899 106.7 57.1 -59.9 -39.7 22.5 23.7 -12.6 94 118 A E H 3< S+ 0 0 132 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.783 100.6 58.4 -60.4 -29.4 23.7 23.4 -16.3 95 119 A N T << S+ 0 0 34 -4,-1.0 2,-0.8 -3,-0.9 -1,-0.3 0.215 76.2 109.9 -90.6 17.5 26.8 25.6 -15.4 96 120 A I S < S- 0 0 0 -3,-1.9 2,-0.4 -18,-0.1 -3,-0.0 -0.836 70.5-136.7 -87.8 111.5 27.9 23.1 -12.7 97 121 A D - 0 0 9 -2,-0.8 2,-0.4 -20,-0.3 -2,-0.1 -0.570 25.9-179.4 -72.8 126.6 31.0 21.7 -14.3 98 122 A I S S+ 0 0 31 -2,-0.4 2,-0.4 2,-0.1 467,-0.1 -0.987 70.2 21.0-125.0 134.0 31.4 17.9 -13.9 99 123 A G S > S+ 0 0 34 -2,-0.4 4,-2.3 465,-0.1 5,-0.2 -0.414 109.6 76.6 104.7 -52.6 34.4 16.1 -15.3 100 124 A G H > S+ 0 0 9 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.944 96.2 44.2 -54.3 -55.0 36.5 19.3 -15.4 101 125 A P H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.902 111.8 54.7 -62.2 -36.5 37.2 19.3 -11.6 102 126 A A H > S+ 0 0 10 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.903 110.8 45.8 -61.4 -41.7 38.0 15.5 -11.7 103 127 A X H X S+ 0 0 17 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.903 114.8 47.0 -65.2 -45.4 40.6 16.2 -14.4 104 128 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.937 115.8 44.5 -61.6 -51.3 42.1 19.2 -12.5 105 129 A R H X S+ 0 0 6 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.799 113.9 50.1 -63.7 -36.6 42.3 17.3 -9.2 106 130 A S H X S+ 0 0 7 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.895 112.6 45.2 -72.7 -42.0 43.7 14.1 -10.8 107 131 A A H < S+ 0 0 0 -4,-2.1 3,-0.4 2,-0.2 7,-0.3 0.901 111.4 54.6 -66.2 -40.3 46.5 15.9 -12.6 108 132 A A H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.890 104.5 52.7 -59.4 -44.5 47.3 18.0 -9.4 109 133 A K H 3< S+ 0 0 21 -4,-1.6 3,-0.3 1,-0.3 -1,-0.2 0.812 109.6 51.4 -62.1 -28.4 47.8 14.7 -7.4 110 134 A N T >X S+ 0 0 26 -4,-1.0 3,-2.0 -3,-0.4 4,-1.6 0.010 71.6 132.5 -99.0 29.4 50.2 13.6 -10.1 111 135 A Y T <4 + 0 0 7 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.707 60.2 68.0 -54.2 -30.9 52.3 16.9 -9.9 112 136 A K T 34 S+ 0 0 73 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.850 119.5 21.5 -61.6 -26.6 55.6 15.1 -9.8 113 137 A D T <4 S+ 0 0 73 -3,-2.0 2,-0.3 -6,-0.2 -101,-0.3 0.651 124.0 48.8-112.8 -17.7 55.0 14.0 -13.4 114 138 A V < - 0 0 2 -4,-1.6 2,-0.4 -7,-0.3 -43,-0.2 -0.955 64.3-133.8-135.2 143.1 52.4 16.6 -14.8 115 139 A X E -g 71 0C 4 -45,-2.6 -43,-2.9 -2,-0.3 2,-0.5 -0.802 23.8-157.4 -92.4 129.8 51.8 20.4 -15.0 116 140 A V E -g 72 0C 4 -2,-0.4 2,-0.4 24,-0.2 -43,-0.2 -0.968 10.4-176.4-115.8 122.7 48.2 21.4 -14.1 117 141 A L E +g 73 0C 2 -45,-2.9 -43,-2.0 -2,-0.5 27,-0.0 -0.982 19.3 156.3-121.0 120.3 46.8 24.8 -15.4 118 142 A C + 0 0 11 -2,-0.4 -42,-0.3 -45,-0.2 -1,-0.1 0.236 61.4 66.0-127.4 13.8 43.4 26.1 -14.4 119 143 A D > - 0 0 54 1,-0.1 3,-2.6 -44,-0.1 4,-0.3 -0.920 60.6-153.1-143.0 115.8 43.8 29.9 -14.9 120 144 A P G > S+ 0 0 22 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.758 97.0 70.2 -55.8 -24.5 44.4 31.7 -18.2 121 145 A L G 3 S+ 0 0 147 1,-0.2 4,-0.3 2,-0.1 3,-0.1 0.646 96.1 53.3 -66.6 -16.5 46.2 34.4 -16.1 122 146 A D G <> S+ 0 0 25 -3,-2.6 4,-2.3 1,-0.1 -1,-0.2 0.512 81.8 92.1 -94.6 -9.4 49.1 31.9 -15.5 123 147 A Y H <> S+ 0 0 12 -3,-1.3 4,-2.2 -4,-0.3 -2,-0.1 0.887 87.4 45.3 -53.8 -51.3 49.7 31.1 -19.3 124 148 A E H > S+ 0 0 143 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.880 114.4 49.0 -63.4 -40.2 52.5 33.7 -19.9 125 149 A K H > S+ 0 0 135 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.872 111.3 50.2 -63.7 -43.1 54.3 32.8 -16.6 126 150 A V H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.905 110.3 50.3 -62.4 -42.8 54.1 29.1 -17.5 127 151 A I H X S+ 0 0 7 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.920 112.0 46.5 -64.6 -44.5 55.6 29.8 -21.0 128 152 A E H X S+ 0 0 84 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.882 110.9 52.3 -66.7 -38.7 58.5 31.8 -19.5 129 153 A T H <>S+ 0 0 8 -4,-2.3 5,-2.9 2,-0.2 6,-0.3 0.914 112.9 45.9 -60.7 -43.7 59.2 29.1 -16.9 130 154 A L H ><5S+ 0 0 28 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.921 112.1 49.8 -67.4 -44.4 59.3 26.5 -19.7 131 155 A K H 3<5S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.812 112.3 48.5 -61.9 -34.9 61.6 28.8 -22.0 132 156 A K T 3<5S- 0 0 133 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.415 114.6-117.3 -85.7 -1.0 64.0 29.3 -19.1 133 157 A G T < 5S+ 0 0 69 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.926 75.7 129.7 63.7 45.5 64.1 25.6 -18.2 134 158 A Q < + 0 0 103 -5,-2.9 2,-1.7 -6,-0.1 5,-0.2 0.160 18.7 122.4-116.4 14.9 62.6 26.1 -14.8 135 159 A N + 0 0 56 -6,-0.3 2,-0.2 -5,-0.2 -9,-0.0 -0.599 42.0 148.1 -78.4 84.7 59.8 23.5 -14.9 136 160 A D > - 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0 0 38 15,-2.9 2,-0.3 1,-0.4 -1,-0.2 0.858 67.2 -44.2 -92.0 -55.7 45.4 40.9 -0.6 182 206 A F E - I 0 196D 76 14,-0.9 14,-2.9 0, 0.0 -1,-0.4 -0.959 55.0 -98.3-167.6 163.2 48.8 41.1 1.3 183 207 A D E - I 0 195D 81 -2,-0.3 12,-0.3 12,-0.3 2,-0.2 -0.675 38.0-134.0 -83.3 143.7 50.7 39.9 4.4 184 208 A T E - I 0 194D 11 10,-1.8 10,-0.6 -2,-0.3 31,-0.2 -0.587 23.5-110.0 -91.9 165.8 50.8 42.5 7.3 185 209 A K S S- 0 0 145 29,-0.3 2,-0.3 -2,-0.2 30,-0.1 0.845 94.3 -23.5 -63.4 -33.0 54.1 43.1 9.2 186 210 A Y - 0 0 71 1,-0.1 30,-0.8 7,-0.1 7,-0.3 -0.913 69.5-107.2-162.5 176.3 52.6 41.4 12.3 187 211 A G S S- 0 0 0 5,-2.4 30,-0.4 2,-0.9 29,-0.3 0.294 74.8 -43.0 -88.7-141.4 49.2 40.6 13.8 188 212 A E S S+ 0 0 3 5,-0.2 805,-0.1 28,-0.1 6,-0.0 0.766 136.4 25.7 -59.7 -31.3 47.5 42.2 16.9 189 213 A N S > S- 0 0 0 4,-0.1 3,-2.2 803,-0.1 -2,-0.9 -0.949 92.0-109.9-130.9 150.9 50.9 42.1 18.6 190 214 A P T 3 S+ 0 0 81 0, 0.0 -3,-0.0 0, 0.0 800,-0.0 0.769 114.8 62.4 -55.2 -28.1 54.4 42.0 17.0 191 215 A H T 3 S+ 0 0 96 800,-0.2 2,-0.3 -5,-0.1 -3,-0.0 0.514 95.9 76.3 -76.6 -5.6 55.0 38.3 18.1 192 216 A Q S < S- 0 0 4 -3,-2.2 -5,-2.4 663,-0.0 2,-0.2 -0.841 76.0-134.9-104.6 146.0 52.0 37.3 15.8 193 217 A K - 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0 0 45 -16,-0.6 3,-0.1 -2,-0.4 6,-0.1 -0.377 60.5 -69.7-123.6-162.8 31.3 71.1 9.6 253 277 A E S S- 0 0 140 -2,-0.1 2,-0.3 1,-0.1 3,-0.0 0.846 114.8 -0.2 -62.7 -37.4 31.2 73.6 6.8 254 278 A N S > S- 0 0 73 -18,-0.1 4,-2.2 -19,-0.0 -2,-0.3 -0.895 82.1 -95.5-146.6 171.6 34.3 72.2 5.3 255 279 A L H > S+ 0 0 29 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.845 120.3 54.2 -64.7 -36.2 36.9 69.3 5.9 256 280 A V H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 112.8 43.9 -63.1 -46.4 39.4 71.6 7.7 257 281 A Q H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.858 111.8 54.2 -66.5 -36.4 36.7 72.7 10.2 258 282 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.912 109.7 47.6 -64.4 -40.7 35.4 69.1 10.5 259 283 A Y H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.920 110.0 50.7 -65.8 -48.7 39.0 68.0 11.5 260 284 A I H X S+ 0 0 48 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.861 115.5 43.4 -57.2 -40.2 39.6 70.8 14.1 261 285 A H H < S+ 0 0 47 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.827 112.0 51.9 -79.5 -31.8 36.2 70.0 15.8 262 286 A A H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 4,-0.5 0.954 110.3 49.9 -64.1 -46.9 36.7 66.2 15.7 263 287 A L H >< S+ 0 0 31 -4,-2.5 3,-0.7 1,-0.3 -2,-0.2 0.771 98.2 69.7 -61.2 -33.5 40.2 66.6 17.3 264 288 A K T 3< S+ 0 0 90 -4,-1.1 3,-0.3 1,-0.2 -1,-0.3 0.693 87.5 65.5 -59.3 -28.1 38.7 68.9 20.2 265 289 A C T < S- 0 0 6 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.904 128.6 -7.7 -64.3 -43.6 36.8 65.9 21.7 266 290 A D <> + 0 0 7 -3,-0.7 4,-1.3 -4,-0.5 -1,-0.2 -0.563 61.4 168.9-155.7 86.8 40.0 64.1 22.7 267 291 A S H > S+ 0 0 49 -3,-0.3 4,-1.0 1,-0.2 -3,-0.1 0.865 81.1 61.0 -64.2 -37.8 43.4 65.5 21.5 268 292 A V H >4 S+ 0 0 98 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.924 110.0 38.5 -56.1 -53.3 45.3 63.2 23.8 269 293 A S H 34 S+ 0 0 14 1,-0.2 -1,-0.2 -22,-0.1 -2,-0.2 0.714 105.4 67.6 -72.0 -27.3 44.0 59.9 22.2 270 294 A A H >< S+ 0 0 2 -4,-1.3 3,-2.8 -7,-0.2 2,-0.5 0.755 74.1 101.6 -67.1 -24.7 44.1 61.3 18.6 271 295 A Y T << S+ 0 0 136 -4,-1.0 23,-0.2 -3,-0.6 -4,-0.0 -0.492 100.5 8.6 -64.0 107.2 47.9 61.4 18.8 272 296 A G T 3 S+ 0 0 20 21,-1.2 -1,-0.3 -2,-0.5 22,-0.2 0.571 107.6 136.2 92.0 14.0 48.8 58.2 16.8 273 297 A G < - 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0 0 40 15,-3.0 2,-0.3 1,-0.4 -1,-0.2 0.854 67.2 -43.7 -91.7 -55.6 25.9 23.1 15.8 691 206 B F E - N 0 705D 75 14,-0.9 14,-2.9 0, 0.0 -1,-0.4 -0.963 54.4 -99.2-166.7 162.9 22.5 25.0 16.2 692 207 B D E - N 0 704D 86 -2,-0.3 12,-0.3 12,-0.3 2,-0.2 -0.704 37.3-135.8 -83.4 141.2 20.7 28.3 15.4 693 208 B T E - N 0 703D 11 10,-1.7 10,-0.5 -2,-0.3 31,-0.1 -0.558 28.0-105.9 -90.6 165.2 20.6 30.8 18.4 694 209 B K S S- 0 0 158 29,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.852 96.0 -28.7 -60.0 -32.5 17.2 32.6 19.1 695 210 B Y S S- 0 0 79 1,-0.2 30,-0.6 7,-0.1 7,-0.3 -0.889 70.9-101.8-164.8-178.0 18.9 35.7 17.6 696 211 B G S S- 0 0 1 5,-2.2 30,-0.4 2,-1.0 29,-0.3 0.391 76.2 -42.2 -90.0-134.1 22.4 37.3 17.2 697 212 B E S S+ 0 0 4 5,-0.2 -213,-0.1 28,-0.1 6,-0.0 0.785 135.7 24.8 -67.3 -29.9 24.0 40.1 19.1 698 213 B N S > S- 0 0 0 -215,-0.1 3,-2.1 4,-0.1 -2,-1.0 -0.949 90.3-109.8-133.7 150.4 20.6 41.9 19.0 699 214 B P T 3 S+ 0 0 76 0, 0.0 -218,-0.0 0, 0.0 -1,-0.0 0.762 114.5 61.5 -53.7 -30.0 17.0 40.5 18.6 700 215 B H T 3 S+ 0 0 93 -218,-0.2 2,-0.4 -5,-0.1 -5,-0.0 0.507 96.3 75.8 -76.8 -5.2 16.7 42.0 15.0 701 216 B Q S < S- 0 0 5 -3,-2.1 -5,-2.2 -356,-0.0 2,-0.2 -0.863 77.7-132.6-105.3 144.6 19.7 39.8 13.8 702 217 B K - 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