==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUL-10 3O6D . COMPND 2 MOLECULE: PYRIDOXINE 5'-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI SUBSP. JEJUNI; . AUTHOR J.OSIPIUK,M.ZHOU,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR . 259 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 1 0.4 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 . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 0 0 1 5 3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 5 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 N 0 0 124 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.9 34.1 38.7 28.8 2 0 A A - 0 0 87 1,-0.1 2,-0.2 256,-0.1 256,-0.1 -0.470 360.0-119.1 -66.2 132.0 34.4 38.9 25.0 3 1 A X - 0 0 12 254,-0.6 2,-0.3 -2,-0.2 227,-0.2 -0.502 23.6-136.0 -73.8 137.3 31.0 40.0 23.5 4 2 A L E -a 230 0A 78 225,-2.4 227,-2.5 -2,-0.2 2,-0.5 -0.716 11.4-144.1 -92.1 150.3 29.5 37.5 21.0 5 3 A L E -a 231 0A 0 -2,-0.3 33,-3.0 225,-0.2 34,-1.2 -0.962 9.9-168.0-121.4 115.4 28.0 38.7 17.7 6 4 A G E -ab 232 39A 0 225,-3.1 227,-2.7 -2,-0.5 2,-0.6 -0.895 16.3-148.9 -94.7 126.5 24.9 37.1 16.2 7 5 A V E -ab 233 40A 0 32,-2.6 34,-2.7 -2,-0.5 2,-0.5 -0.907 2.8-150.7-101.2 116.0 24.5 38.3 12.6 8 6 A N E - b 0 41A 17 225,-1.9 3,-0.4 -2,-0.6 230,-0.2 -0.799 8.1-168.7 -86.0 123.1 20.8 38.4 11.4 9 7 A I >> + 0 0 1 32,-2.3 4,-1.7 -2,-0.5 3,-1.3 0.282 51.4 114.5-101.3 15.3 20.8 37.9 7.7 10 8 A D H 3> S+ 0 0 13 1,-0.3 4,-2.0 31,-0.2 -1,-0.2 0.828 73.9 52.4 -51.6 -47.1 17.1 38.9 7.2 11 9 A H H 3> S+ 0 0 75 -3,-0.4 4,-1.7 2,-0.2 -1,-0.3 0.685 102.4 57.9 -74.4 -13.8 17.9 41.9 5.0 12 10 A I H <> S+ 0 0 11 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.912 109.1 46.8 -73.3 -42.1 20.1 39.9 2.7 13 11 A A H X S+ 0 0 1 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.877 105.7 60.0 -64.4 -34.9 17.0 37.8 2.1 14 12 A V H X S+ 0 0 58 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.960 107.3 46.1 -53.6 -49.1 14.9 41.1 1.7 15 13 A L H X S+ 0 0 99 -4,-1.7 4,-0.6 1,-0.2 3,-0.4 0.926 112.3 50.7 -59.6 -48.2 17.2 42.0 -1.2 16 14 A R H >X>S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 3,-1.4 0.950 110.4 48.0 -55.3 -48.8 16.9 38.5 -2.7 17 15 A Q H 3<5S+ 0 0 39 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.715 97.5 73.7 -70.8 -17.6 13.0 38.5 -2.5 18 16 A A H 3<5S+ 0 0 81 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.789 117.3 14.8 -64.9 -31.4 12.9 42.0 -4.1 19 17 A R H <<5S- 0 0 189 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.599 90.2-138.0-118.1 -19.2 13.8 40.5 -7.5 20 18 A X T <5 + 0 0 134 -4,-2.4 -3,-0.1 -5,-0.2 -4,-0.1 0.872 68.3 116.3 65.0 36.0 13.2 36.7 -7.1 21 19 A V S - 0 0 51 1,-0.2 4,-2.1 -2,-0.2 3,-0.2 -0.763 7.4-153.7 -86.2 119.1 22.3 33.9 -2.4 26 24 A L H > S+ 0 0 1 -2,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.814 92.5 56.7 -67.3 -33.0 21.5 33.7 1.2 27 25 A L H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 106.0 51.4 -67.5 -38.1 23.5 30.5 1.7 28 26 A E H > S+ 0 0 130 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.940 112.1 46.1 -57.8 -47.8 26.6 32.3 0.4 29 27 A A H X S+ 0 0 10 -4,-2.1 4,-2.0 1,-0.2 3,-0.3 0.884 108.7 56.3 -62.2 -40.8 26.1 35.0 2.8 30 28 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.859 101.6 56.9 -62.1 -35.0 25.5 32.4 5.6 31 29 A F H X S+ 0 0 98 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.868 107.5 48.5 -60.0 -38.2 28.9 30.9 4.9 32 30 A I H X S+ 0 0 60 -4,-1.2 4,-2.3 -3,-0.3 5,-0.3 0.921 112.4 47.9 -69.5 -43.3 30.5 34.3 5.5 33 31 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.914 108.5 55.5 -61.6 -42.9 28.5 34.8 8.8 34 32 A A H < S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.884 113.9 41.0 -56.3 -41.3 29.5 31.2 9.9 35 33 A R H < S+ 0 0 200 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.900 129.4 23.2 -76.5 -41.6 33.1 32.1 9.5 36 34 A H H < S+ 0 0 36 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.676 114.6 60.9-108.1 -23.9 33.3 35.6 10.9 37 35 A G S < S- 0 0 8 -4,-2.9 -31,-0.2 -5,-0.3 3,-0.1 -0.308 77.1-126.9 -87.7-176.0 30.3 35.9 13.2 38 36 A D S S+ 0 0 52 -33,-3.0 2,-0.3 1,-0.4 -32,-0.2 0.620 88.2 4.9-108.1 -25.2 29.5 33.8 16.3 39 37 A Q E -b 6 0A 10 -34,-1.2 -32,-2.6 26,-0.1 2,-0.5 -0.976 67.0-125.3-152.4 162.1 26.0 32.8 15.3 40 38 A I E -bc 7 67A 0 26,-2.3 28,-3.2 -2,-0.3 2,-0.4 -0.920 28.8-167.8-107.7 125.6 23.7 33.1 12.3 41 39 A T E +bc 8 68A 0 -34,-2.7 -32,-2.3 -2,-0.5 2,-0.3 -0.904 12.0 165.7-114.5 138.6 20.4 34.5 13.1 42 40 A L E - c 0 69A 0 26,-2.0 28,-3.2 -2,-0.4 2,-0.6 -0.981 26.8-142.0-148.2 149.5 17.3 34.5 10.9 43 41 A H E - c 0 70A 16 -2,-0.3 2,-1.1 26,-0.2 8,-0.5 -0.912 9.4-163.9-108.9 108.7 13.6 35.2 11.3 44 42 A V - 0 0 0 26,-1.3 28,-0.3 -2,-0.6 2,-0.1 -0.804 21.7-155.8 -94.0 99.7 11.3 33.0 9.3 45 43 A R > - 0 0 42 -2,-1.1 3,-1.8 6,-0.4 5,-0.0 -0.447 24.7-116.8 -74.3 153.1 8.1 35.0 9.6 46 44 A E T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.881 119.2 50.4 -54.8 -38.7 4.6 33.4 9.2 47 45 A D T 3 S- 0 0 88 1,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.370 105.4-132.6 -79.9 -0.3 4.1 35.6 6.1 48 46 A R < + 0 0 41 -3,-1.8 -2,-0.1 1,-0.1 -4,-0.1 0.850 47.0 159.0 50.1 40.3 7.5 34.5 4.6 49 47 A R S S- 0 0 142 3,-0.0 -1,-0.1 2,-0.0 3,-0.1 0.865 72.8 -16.9 -60.9 -39.9 8.4 38.1 3.8 50 48 A H S S+ 0 0 14 1,-0.5 -6,-0.1 -7,-0.3 -39,-0.1 0.478 121.7 49.9-131.5 -86.0 12.1 37.4 3.7 51 49 A A S S- 0 0 1 -8,-0.5 -1,-0.5 1,-0.1 -6,-0.4 -0.359 72.0-151.7 -64.0 141.6 13.8 34.3 5.1 52 50 A Q >> - 0 0 30 -8,-0.1 4,-1.9 -3,-0.1 3,-0.8 -0.737 28.3-105.5-115.2 164.9 12.2 31.0 4.0 53 51 A D H 3> S+ 0 0 57 1,-0.3 4,-2.3 -2,-0.2 5,-0.1 0.884 122.1 53.7 -51.5 -44.4 11.8 27.5 5.3 54 52 A F H 3> S+ 0 0 102 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.784 103.3 57.4 -68.8 -26.2 14.3 26.3 2.8 55 53 A D H <> S+ 0 0 5 -3,-0.8 4,-2.7 2,-0.2 5,-0.2 0.920 107.7 46.7 -66.4 -41.5 16.8 28.9 4.1 56 54 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.946 115.0 47.3 -67.8 -41.2 16.5 27.5 7.6 57 55 A E H X S+ 0 0 92 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.938 113.4 47.2 -63.3 -48.8 17.0 24.0 6.2 58 56 A N H X S+ 0 0 52 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.930 113.1 47.8 -60.9 -47.9 19.9 24.9 4.1 59 57 A I H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.920 113.6 47.2 -62.8 -42.1 21.8 26.8 6.8 60 58 A I H < S+ 0 0 50 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.906 116.7 44.7 -64.3 -40.7 21.3 24.1 9.3 61 59 A K H < S+ 0 0 152 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.829 128.5 22.1 -73.3 -31.4 22.4 21.5 6.8 62 60 A F H < S+ 0 0 94 -4,-2.4 2,-0.4 -5,-0.2 -3,-0.2 0.643 96.0 89.4-115.0 -21.2 25.4 23.4 5.5 63 61 A C < - 0 0 16 -4,-2.5 2,-1.6 -5,-0.3 -32,-0.1 -0.721 58.9-142.9-101.7 134.4 26.8 26.0 7.9 64 62 A K S S+ 0 0 195 -2,-0.4 -4,-0.1 -33,-0.1 -1,-0.0 -0.637 72.9 83.3 -90.0 73.0 29.5 25.5 10.5 65 63 A S S S- 0 0 15 -2,-1.6 -26,-0.1 -6,-0.2 -2,-0.1 -0.937 87.6 -90.4-165.3 148.6 28.0 27.9 13.1 66 64 A P - 0 0 56 0, 0.0 -26,-2.3 0, 0.0 2,-0.4 -0.465 44.3-138.2 -62.8 146.2 25.3 27.8 15.7 67 65 A V E -c 40 0A 1 -28,-0.2 21,-2.2 -2,-0.1 2,-0.6 -0.909 14.3-164.9-111.3 130.9 21.9 28.8 14.3 68 66 A N E -cd 41 88A 0 -28,-3.2 -26,-2.0 -2,-0.4 2,-0.6 -0.934 9.0-163.2-116.4 106.5 19.5 31.1 16.1 69 67 A L E -cd 42 89A 0 19,-2.4 21,-2.6 -2,-0.6 2,-0.5 -0.797 5.0-153.7 -85.4 125.9 16.0 31.0 14.6 70 68 A E E +cd 43 90A 17 -28,-3.2 -26,-1.3 -2,-0.6 2,-0.3 -0.809 30.6 152.5 -92.3 132.9 13.7 33.8 15.5 71 69 A C E - d 0 91A 0 19,-2.5 21,-2.6 -2,-0.5 -26,-0.1 -0.979 36.8-121.9-155.6 167.3 10.1 32.9 15.3 72 70 A A - 0 0 0 -28,-0.3 -28,-0.0 -2,-0.3 6,-0.0 -0.218 46.3 -85.3 -97.7-170.8 6.6 33.7 16.7 73 71 A L S S+ 0 0 3 19,-0.2 2,-0.3 -2,-0.1 18,-0.0 0.001 79.5 124.3 -96.2 31.2 4.1 31.4 18.5 74 72 A N > - 0 0 7 1,-0.1 4,-2.0 4,-0.0 3,-0.3 -0.697 64.5-128.4 -88.3 144.3 2.4 29.9 15.5 75 73 A D H > S+ 0 0 87 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.864 101.5 61.6 -58.8 -40.3 2.4 26.1 15.2 76 74 A E H > S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 111.2 36.4 -56.2 -48.5 3.7 25.9 11.6 77 75 A I H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.882 116.2 54.5 -75.9 -33.7 7.1 27.6 12.4 78 76 A L H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.953 108.8 48.9 -63.3 -45.0 7.3 25.9 15.9 79 77 A N H X S+ 0 0 90 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.902 108.6 53.2 -61.2 -42.8 6.9 22.5 14.2 80 78 A L H X S+ 0 0 26 -4,-1.8 4,-3.2 -5,-0.3 5,-0.3 0.926 109.5 49.0 -55.4 -45.7 9.6 23.4 11.7 81 79 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.930 111.3 49.8 -56.9 -48.6 11.9 24.3 14.6 82 80 A L H < S+ 0 0 40 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.840 114.8 45.1 -60.6 -35.7 11.1 21.0 16.3 83 81 A K H < S+ 0 0 147 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.953 123.9 30.6 -71.8 -49.3 11.8 19.2 13.0 84 82 A L H < S- 0 0 32 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.771 91.9-147.1 -87.6 -27.1 15.1 20.9 12.0 85 83 A K < - 0 0 113 -4,-3.2 -3,-0.1 -5,-0.3 -4,-0.1 0.960 11.8-163.2 60.9 62.2 16.4 21.7 15.5 86 84 A P - 0 0 3 0, 0.0 39,-0.2 0, 0.0 -18,-0.1 -0.309 32.7-110.5 -56.8 162.9 18.3 24.9 15.3 87 85 A H S S+ 0 0 103 -20,-0.4 38,-2.3 1,-0.2 2,-0.3 0.904 96.8 15.5 -63.7 -39.0 20.6 25.4 18.3 88 86 A R E -de 68 125A 9 -21,-2.2 -19,-2.4 36,-0.2 2,-0.4 -0.968 60.9-155.7-140.4 145.7 18.5 28.3 19.6 89 87 A V E -de 69 126A 0 36,-2.7 38,-2.7 -2,-0.3 2,-0.6 -0.996 7.5-160.1-120.4 126.6 15.1 29.7 19.1 90 88 A T E -de 70 127A 0 -21,-2.6 -19,-2.5 -2,-0.4 2,-0.4 -0.945 17.6-141.3-106.6 117.3 14.4 33.4 20.0 91 89 A L E +de 71 128A 0 36,-2.5 38,-2.1 -2,-0.6 -19,-0.2 -0.726 29.2 173.3 -87.3 124.7 10.6 33.8 20.4 92 90 A V - 0 0 7 -21,-2.6 2,-0.3 -2,-0.4 -19,-0.2 -0.951 33.1-103.7-131.7 152.9 9.5 37.1 19.0 93 91 A P + 0 0 19 0, 0.0 3,-0.1 0, 0.0 -21,-0.1 -0.577 44.2 150.1 -81.8 139.1 6.1 38.8 18.4 94 92 A E + 0 0 34 -2,-0.3 2,-0.1 1,-0.2 -49,-0.0 0.515 62.5 56.4-125.2 -45.4 4.6 38.9 14.9 95 93 A K S >> S- 0 0 95 1,-0.1 3,-1.2 4,-0.0 4,-1.0 -0.480 89.5-109.7 -89.4 163.4 0.8 38.9 15.6 96 94 A R G >4 S+ 0 0 202 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.893 118.0 57.9 -57.7 -44.8 -1.2 41.3 17.8 97 95 A E G 34 S+ 0 0 109 1,-0.3 -1,-0.3 3,-0.0 9,-0.0 0.711 110.8 44.0 -57.9 -25.5 -1.8 38.7 20.5 98 96 A E G <4 S+ 0 0 3 -3,-1.2 8,-2.4 7,-0.1 -1,-0.3 0.627 101.0 95.0 -93.1 -15.4 2.0 38.3 20.8 99 97 A L B << -I 105 0B 80 -4,-1.0 2,-0.3 -3,-0.9 6,-0.1 -0.373 51.9-163.2 -86.5 151.1 2.8 42.0 20.8 100 98 A T > - 0 0 34 4,-0.7 3,-0.6 -2,-0.1 6,-0.1 -0.867 39.0-107.3-113.7 164.6 3.3 44.6 23.5 101 99 A T T 3 S+ 0 0 142 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.786 120.1 47.6 -59.1 -29.0 3.2 48.4 22.8 102 100 A E T 3 S- 0 0 115 2,-0.1 -1,-0.2 51,-0.0 52,-0.1 0.664 118.8-106.9 -93.5 -21.2 7.0 48.7 23.1 103 101 A G S < S+ 0 0 20 -3,-0.6 -2,-0.1 1,-0.4 3,-0.1 0.216 77.9 116.0 117.6 -13.0 7.8 45.7 20.9 104 102 A G S S- 0 0 0 1,-0.2 -4,-0.7 -12,-0.1 -1,-0.4 -0.308 77.2 -76.4 -74.5 168.7 9.0 42.9 23.1 105 103 A L B -I 99 0B 0 24,-3.0 2,-0.8 -14,-0.2 26,-0.3 -0.343 42.1-114.2 -64.9 142.4 7.1 39.6 23.4 106 104 A C > - 0 0 32 -8,-2.4 3,-1.6 1,-0.1 6,-0.1 -0.764 26.5-160.1 -77.6 111.5 3.9 39.6 25.5 107 105 A L T 3 S+ 0 0 9 -2,-0.8 -1,-0.1 1,-0.3 6,-0.1 0.534 84.3 62.5 -81.6 -4.2 5.0 37.2 28.3 108 106 A N T 3 S+ 0 0 133 4,-0.1 -1,-0.3 -10,-0.0 -10,-0.0 0.388 70.4 137.7 -92.1 1.2 1.3 36.4 29.3 109 107 A H X> - 0 0 38 -3,-1.6 3,-1.2 1,-0.1 4,-0.6 -0.206 59.7-129.2 -52.9 137.9 0.5 34.9 25.9 110 108 A A T 34 S+ 0 0 101 1,-0.3 4,-0.4 2,-0.1 3,-0.2 0.837 105.6 43.1 -58.4 -41.2 -1.5 31.6 26.4 111 109 A K T 3> S+ 0 0 53 1,-0.1 4,-2.3 2,-0.1 -1,-0.3 0.505 90.8 90.1 -80.3 -6.9 0.8 29.5 24.2 112 110 A L H <> S+ 0 0 1 -3,-1.2 4,-2.5 1,-0.2 5,-0.2 0.954 85.3 46.2 -62.8 -51.3 4.1 30.8 25.5 113 111 A K H X S+ 0 0 121 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.920 116.5 44.3 -60.3 -46.9 4.7 28.4 28.4 114 112 A Q H > S+ 0 0 96 -4,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.868 111.2 55.5 -64.4 -40.9 3.9 25.3 26.4 115 113 A S H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.952 109.0 47.0 -55.2 -49.7 5.9 26.6 23.4 116 114 A I H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.930 113.1 49.2 -57.7 -47.4 9.0 27.0 25.6 117 115 A E H X S+ 0 0 76 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.914 109.6 51.0 -58.1 -48.1 8.4 23.5 27.0 118 116 A K H X S+ 0 0 58 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.924 113.8 45.5 -56.2 -46.0 8.1 22.0 23.5 119 117 A L H ><>S+ 0 0 1 -4,-2.6 5,-2.1 -5,-0.2 3,-0.6 0.959 115.0 44.9 -66.6 -50.5 11.3 23.6 22.4 120 118 A Q H ><5S+ 0 0 45 -4,-2.9 3,-1.8 1,-0.3 -1,-0.2 0.856 107.8 58.7 -61.2 -36.5 13.4 22.7 25.6 121 119 A N H 3<5S+ 0 0 138 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.830 106.0 50.3 -59.7 -32.4 12.0 19.1 25.4 122 120 A A T <<5S- 0 0 18 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.310 122.8-110.9 -88.3 11.0 13.6 19.0 22.0 123 121 A N T < 5S+ 0 0 152 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.770 70.1 144.0 65.4 27.0 16.9 20.3 23.4 124 122 A I < - 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