==== 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 3O6C . 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) . 13370.0 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 . 37 14.3 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 . 24 9.3 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 1 1 6 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 . 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 0 175 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-125.8 34.6 39.6 29.0 2 0 A A - 0 0 67 1,-0.1 2,-0.2 257,-0.1 256,-0.1 -0.393 360.0-132.9 -73.6 121.2 34.4 39.2 25.2 3 1 A X - 0 0 14 254,-0.6 2,-0.3 -2,-0.3 227,-0.2 -0.466 16.6-135.6 -73.8 139.0 31.1 40.2 23.5 4 2 A L E -a 230 0A 80 225,-2.3 227,-2.6 -2,-0.2 2,-0.6 -0.735 12.8-145.8 -90.4 143.6 29.6 37.7 21.0 5 3 A L E -a 231 0A 0 -2,-0.3 33,-2.9 225,-0.2 34,-1.0 -0.949 10.3-169.0-116.5 113.7 28.2 39.0 17.7 6 4 A G E -ab 232 39A 0 225,-3.2 227,-2.8 -2,-0.6 2,-0.6 -0.874 15.4-148.6 -93.2 129.7 25.3 37.4 16.0 7 5 A V E -ab 233 40A 0 32,-2.4 34,-2.5 -2,-0.5 2,-0.5 -0.904 3.6-148.8-103.4 118.1 24.8 38.7 12.5 8 6 A N E - b 0 41A 18 225,-1.9 3,-0.4 -2,-0.6 34,-0.2 -0.767 9.3-169.4 -88.0 123.7 21.2 38.8 11.3 9 7 A I >> + 0 0 0 32,-2.2 4,-1.5 -2,-0.5 3,-1.2 0.262 52.4 113.0 -98.7 8.9 21.1 38.3 7.5 10 8 A D H 3> S+ 0 0 10 1,-0.2 4,-1.9 31,-0.2 -1,-0.2 0.829 74.0 55.1 -50.9 -42.7 17.5 39.2 7.0 11 9 A H H 3> S+ 0 0 74 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.741 101.5 56.9 -74.3 -15.5 18.3 42.3 5.0 12 10 A I H <> S+ 0 0 11 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.902 108.5 47.6 -70.8 -43.2 20.4 40.3 2.6 13 11 A A H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 5,-0.3 0.848 105.1 61.0 -65.0 -32.6 17.2 38.3 2.0 14 12 A V H X S+ 0 0 56 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.968 107.4 44.0 -57.1 -49.6 15.3 41.6 1.6 15 13 A L H X S+ 0 0 96 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.923 114.4 50.2 -58.1 -46.6 17.5 42.4 -1.4 16 14 A R H >X>S+ 0 0 7 -4,-2.2 4,-2.2 1,-0.2 3,-1.0 0.936 110.0 48.2 -60.0 -46.9 17.1 38.9 -2.7 17 15 A Q H 3<5S+ 0 0 45 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.771 98.9 72.6 -68.3 -21.5 13.3 38.8 -2.5 18 16 A A H 3<5S+ 0 0 84 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.833 117.0 15.4 -63.1 -31.8 13.2 42.3 -4.2 19 17 A R H <<5S- 0 0 192 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.589 91.7-138.8-119.2 -17.2 14.1 40.9 -7.6 20 18 A X T <5 + 0 0 138 -4,-2.2 -3,-0.1 -5,-0.2 -4,-0.1 0.857 67.2 116.9 62.1 40.2 13.5 37.1 -7.1 21 19 A V S - 0 0 53 -2,-0.2 4,-1.8 1,-0.2 5,-0.2 -0.753 7.9-154.2 -88.4 120.2 22.6 34.3 -2.4 26 24 A L H > S+ 0 0 0 -2,-0.6 4,-2.9 1,-0.2 -1,-0.2 0.839 92.4 56.3 -67.4 -32.4 21.8 34.0 1.3 27 25 A L H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 106.3 52.0 -68.4 -40.8 23.9 30.8 1.7 28 26 A E H > S+ 0 0 133 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.930 111.2 46.6 -53.3 -45.2 26.9 32.6 0.4 29 27 A A H X S+ 0 0 10 -4,-1.8 4,-2.1 1,-0.2 3,-0.4 0.904 108.0 56.7 -64.6 -45.3 26.4 35.3 2.9 30 28 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.834 100.8 57.6 -54.2 -38.3 25.8 32.8 5.7 31 29 A F H X S+ 0 0 89 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.902 107.2 48.7 -60.8 -38.9 29.3 31.3 5.0 32 30 A I H X S+ 0 0 56 -4,-1.2 4,-2.7 -3,-0.4 5,-0.4 0.925 112.8 46.4 -65.5 -45.9 30.8 34.7 5.6 33 31 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.920 108.3 57.8 -61.7 -42.4 28.9 35.1 8.8 34 32 A A H < S+ 0 0 18 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.895 114.7 36.8 -53.0 -44.4 29.8 31.6 9.9 35 33 A R H < S+ 0 0 199 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.895 129.3 27.5 -76.9 -46.5 33.5 32.5 9.5 36 34 A H H < S+ 0 0 35 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.711 115.7 54.6 -97.9 -24.6 33.7 36.0 10.8 37 35 A G S < S- 0 0 7 -4,-2.7 -31,-0.2 -5,-0.4 3,-0.1 -0.340 78.0-123.1 -96.8-175.7 30.7 36.3 13.2 38 36 A D S S+ 0 0 52 -33,-2.9 2,-0.3 1,-0.4 -32,-0.2 0.580 88.0 5.2-104.5 -20.4 29.8 34.2 16.3 39 37 A Q E -b 6 0A 11 -34,-1.0 -32,-2.4 -6,-0.1 2,-0.6 -0.964 66.6-124.0-159.9 152.8 26.3 33.1 15.2 40 38 A I E -bc 7 67A 0 26,-2.4 28,-3.0 -2,-0.3 2,-0.4 -0.921 30.2-167.9-101.5 124.0 24.0 33.4 12.2 41 39 A T E +bc 8 68A 0 -34,-2.5 -32,-2.2 -2,-0.6 2,-0.3 -0.905 12.7 164.0-112.9 141.7 20.7 35.0 13.0 42 40 A L E - c 0 69A 0 26,-1.8 28,-3.4 -2,-0.4 2,-0.6 -0.982 28.7-139.9-152.7 147.1 17.6 35.1 10.8 43 41 A H E - c 0 70A 16 -2,-0.3 2,-1.1 26,-0.2 8,-0.5 -0.919 10.9-162.6-111.3 106.0 13.9 35.8 11.3 44 42 A V - 0 0 0 26,-1.4 28,-0.3 -2,-0.6 2,-0.1 -0.803 20.2-157.3 -88.0 97.9 11.6 33.4 9.3 45 43 A R > - 0 0 36 -2,-1.1 3,-1.6 6,-0.5 5,-0.0 -0.469 24.5-122.8 -77.9 150.1 8.4 35.4 9.5 46 44 A E T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.884 116.7 53.0 -55.2 -36.8 5.0 33.7 9.0 47 45 A D T 3 S- 0 0 91 1,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.442 105.9-132.5 -80.5 -1.4 4.4 36.1 6.1 48 46 A R < + 0 0 44 -3,-1.6 -2,-0.1 1,-0.1 -4,-0.1 0.822 48.1 157.5 51.7 41.3 7.8 35.1 4.5 49 47 A R S S- 0 0 144 3,-0.0 -1,-0.1 2,-0.0 3,-0.1 0.862 73.3 -21.4 -60.1 -41.4 8.8 38.7 3.9 50 48 A H S S+ 0 0 10 1,-0.5 -6,-0.1 -7,-0.2 -39,-0.1 0.401 121.2 50.6-134.8 -86.5 12.5 38.0 3.7 51 49 A A S S- 0 0 0 -8,-0.5 -1,-0.5 1,-0.1 -6,-0.5 -0.352 71.4-153.7 -67.3 141.4 14.2 34.9 5.1 52 50 A Q >> - 0 0 23 -8,-0.1 4,-1.6 -3,-0.1 3,-0.7 -0.734 28.8-105.0-116.5 165.7 12.5 31.7 4.1 53 51 A D H 3> S+ 0 0 64 1,-0.3 4,-2.3 -2,-0.2 5,-0.2 0.884 120.7 57.1 -58.1 -36.8 12.2 28.1 5.5 54 52 A F H 3> S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.814 102.1 56.2 -65.5 -28.0 14.7 26.9 2.9 55 53 A D H <> S+ 0 0 6 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.926 107.8 46.9 -65.9 -43.7 17.2 29.4 4.2 56 54 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.942 114.6 47.9 -62.8 -45.6 16.9 27.9 7.7 57 55 A E H X S+ 0 0 72 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.945 114.6 45.0 -59.8 -51.2 17.2 24.4 6.3 58 56 A N H X S+ 0 0 52 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.907 113.0 49.6 -63.6 -43.8 20.2 25.2 4.1 59 57 A I H X S+ 0 0 2 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.950 112.4 47.4 -63.4 -42.0 22.1 27.2 6.8 60 58 A I H < S+ 0 0 48 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.892 118.3 42.3 -65.4 -38.0 21.6 24.4 9.4 61 59 A K H < S+ 0 0 124 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.799 127.8 26.4 -80.8 -26.5 22.8 21.7 6.9 62 60 A F H < S+ 0 0 118 -4,-2.4 2,-0.4 -5,-0.2 -2,-0.2 0.609 98.3 84.1-113.8 -16.3 25.7 23.6 5.4 63 61 A C < - 0 0 15 -4,-2.5 2,-1.5 -5,-0.3 -32,-0.1 -0.778 60.9-140.3-109.1 137.9 27.2 26.2 7.8 64 62 A K S S+ 0 0 195 -2,-0.4 -4,-0.1 -33,-0.1 -3,-0.0 -0.606 71.9 83.0 -89.2 78.2 29.8 25.8 10.5 65 63 A S S S- 0 0 15 -2,-1.5 -26,-0.1 -6,-0.2 -2,-0.1 -0.941 85.4 -89.1-170.0 147.3 28.2 28.2 13.1 66 64 A P - 0 0 59 0, 0.0 -26,-2.4 0, 0.0 2,-0.4 -0.426 44.3-141.6 -60.4 146.3 25.6 28.3 15.8 67 65 A V E -c 40 0A 1 -28,-0.2 21,-1.9 -2,-0.1 2,-0.6 -0.927 12.6-164.0-115.0 131.5 22.3 29.3 14.3 68 66 A N E -cd 41 88A 0 -28,-3.0 -26,-1.8 -2,-0.4 2,-0.6 -0.954 10.5-161.5-115.3 102.3 19.8 31.6 16.1 69 67 A L E -cd 42 89A 0 19,-2.7 21,-2.7 -2,-0.6 2,-0.5 -0.799 3.5-154.8 -81.3 122.6 16.4 31.4 14.6 70 68 A E E +cd 43 90A 19 -28,-3.4 -26,-1.4 -2,-0.6 2,-0.3 -0.821 32.6 147.5 -91.8 134.7 14.1 34.4 15.4 71 69 A C E - d 0 91A 0 19,-2.2 21,-2.7 -2,-0.5 -26,-0.1 -0.987 39.2-120.4-158.8 167.6 10.4 33.4 15.2 72 70 A A - 0 0 0 -28,-0.3 -28,-0.0 -2,-0.3 6,-0.0 -0.100 43.9 -86.9-100.6-165.0 7.0 33.9 16.5 73 71 A L S S+ 0 0 11 19,-0.1 18,-0.0 4,-0.1 -1,-0.0 0.442 77.1 125.9 -94.3 5.3 4.5 31.6 18.2 74 72 A N > - 0 0 16 1,-0.1 4,-2.4 4,-0.1 5,-0.2 -0.311 65.0-127.5 -64.7 142.9 2.7 30.2 15.2 75 73 A D H > S+ 0 0 108 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.838 103.3 62.2 -59.8 -35.9 2.7 26.4 14.9 76 74 A E H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.953 111.8 34.1 -59.2 -52.4 4.1 26.4 11.4 77 75 A I H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.894 117.8 53.3 -75.5 -38.0 7.4 28.0 12.3 78 76 A L H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.932 109.6 50.0 -60.4 -42.5 7.6 26.4 15.8 79 77 A N H X S+ 0 0 89 -4,-3.3 4,-1.8 -5,-0.2 -1,-0.2 0.893 109.5 51.1 -61.0 -38.5 7.1 23.0 14.2 80 78 A L H X S+ 0 0 27 -4,-1.7 4,-3.3 -5,-0.3 5,-0.4 0.931 109.9 49.7 -64.0 -44.1 9.9 23.8 11.7 81 79 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.916 110.4 50.6 -59.1 -44.7 12.2 24.8 14.6 82 80 A L H < S+ 0 0 39 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.835 115.4 43.3 -62.4 -32.5 11.4 21.5 16.3 83 81 A K H < S+ 0 0 144 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.934 123.6 33.1 -78.4 -47.1 12.2 19.6 13.1 84 82 A L H < S- 0 0 20 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.734 92.9-148.4 -86.7 -25.8 15.4 21.4 12.1 85 83 A K < - 0 0 113 -4,-2.7 -3,-0.1 -5,-0.4 -4,-0.1 0.943 10.9-162.1 60.3 62.3 16.7 22.1 15.6 86 84 A P - 0 0 2 0, 0.0 39,-0.1 0, 0.0 -18,-0.1 -0.308 32.2-111.0 -58.0 159.5 18.6 25.4 15.4 87 85 A H S S+ 0 0 103 -20,-0.4 38,-2.4 1,-0.2 2,-0.3 0.867 97.1 14.2 -60.1 -40.3 20.9 25.9 18.3 88 86 A R E -de 68 125A 18 -21,-1.9 -19,-2.7 36,-0.2 2,-0.4 -0.984 60.1-155.9-140.1 148.1 18.8 28.7 19.6 89 87 A V E -de 69 126A 0 36,-2.7 38,-2.6 -2,-0.3 2,-0.6 -0.999 8.0-160.7-119.4 128.1 15.4 30.2 19.1 90 88 A T E -de 70 127A 0 -21,-2.7 -19,-2.2 -2,-0.4 2,-0.5 -0.947 18.8-139.0-107.6 116.7 14.7 33.8 19.9 91 89 A L E +de 71 128A 0 36,-2.9 38,-2.1 -2,-0.6 14,-0.2 -0.722 30.4 171.1 -83.8 123.7 10.9 34.3 20.3 92 90 A V - 0 0 9 -21,-2.7 2,-0.3 -2,-0.5 -19,-0.1 -0.929 31.5-107.0-131.7 151.6 9.8 37.6 18.7 93 91 A P + 0 0 15 0, 0.0 3,-0.1 0, 0.0 -21,-0.1 -0.601 40.0 154.8 -83.9 147.7 6.4 39.0 18.1 94 92 A E + 0 0 31 -2,-0.3 2,-0.1 1,-0.1 5,-0.0 0.576 59.6 62.0-127.6 -49.6 4.7 39.2 14.7 95 93 A K S >> S- 0 0 94 1,-0.1 3,-1.7 4,-0.0 4,-0.9 -0.425 86.8-111.9 -84.0 156.8 0.9 39.2 15.4 96 94 A R G >4 S+ 0 0 201 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.887 118.8 58.3 -50.4 -43.2 -1.1 41.8 17.4 97 95 A E G 34 S+ 0 0 96 1,-0.2 -1,-0.3 12,-0.0 9,-0.0 0.682 110.6 41.6 -63.7 -19.3 -1.7 39.1 20.0 98 96 A E G <4 S+ 0 0 3 -3,-1.7 8,-2.8 11,-0.1 -1,-0.2 0.520 101.6 89.9 -99.8 -12.8 2.0 38.7 20.5 99 97 A L B << -I 105 0B 77 -4,-0.9 2,-0.3 -3,-0.8 6,-0.2 -0.536 55.7-155.4 -95.8 150.5 3.0 42.3 20.4 100 98 A T > - 0 0 39 4,-1.0 3,-1.0 -2,-0.2 6,-0.1 -0.782 39.0-103.5-108.9 172.4 3.4 45.0 23.1 101 99 A T T 3 S+ 0 0 145 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.801 122.5 48.3 -65.1 -26.5 3.1 48.7 22.3 102 100 A E T 3 S- 0 0 137 2,-0.1 -1,-0.2 3,-0.0 52,-0.1 0.521 119.9-106.4 -94.5 -5.3 6.9 49.1 22.6 103 101 A G S < S+ 0 0 20 -3,-1.0 -2,-0.1 1,-0.4 3,-0.1 0.173 78.2 122.7 104.5 -18.2 7.7 46.1 20.3 104 102 A G S S- 0 0 0 1,-0.1 -4,-1.0 -12,-0.1 -1,-0.4 -0.263 74.4 -82.3 -63.5 162.0 8.9 43.5 22.8 105 103 A L B -I 99 0B 0 24,-3.0 2,-0.7 -14,-0.2 26,-0.3 -0.394 41.8-114.0 -65.4 143.0 7.1 40.1 23.1 106 104 A C > - 0 0 28 -8,-2.8 3,-1.6 1,-0.2 6,-0.1 -0.701 25.1-162.3 -78.7 110.6 4.0 40.0 25.2 107 105 A L T 3 S+ 0 0 14 -2,-0.7 -1,-0.2 1,-0.3 6,-0.1 0.518 84.1 65.2 -80.6 -1.4 5.0 37.7 28.1 108 106 A N T 3 S+ 0 0 117 4,-0.1 -1,-0.3 -10,-0.0 -2,-0.1 0.360 70.1 136.5 -91.5 2.1 1.4 37.1 29.0 109 107 A H X> - 0 0 42 -3,-1.6 3,-1.2 1,-0.1 4,-0.5 -0.247 60.0-130.6 -58.1 135.1 0.7 35.3 25.7 110 108 A A T 34 S+ 0 0 87 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.721 104.3 41.6 -62.5 -23.0 -1.4 32.1 26.4 111 109 A K T 3> S+ 0 0 109 2,-0.1 4,-2.2 1,-0.1 -1,-0.2 0.469 88.9 91.2-103.9 -0.1 0.9 29.9 24.3 112 110 A L H <> S+ 0 0 1 -3,-1.2 4,-2.6 1,-0.2 5,-0.2 0.944 84.7 49.2 -66.1 -49.0 4.3 31.3 25.4 113 111 A K H X S+ 0 0 131 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.928 114.8 43.6 -59.5 -46.7 4.9 28.9 28.3 114 112 A Q H > S+ 0 0 85 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.858 111.6 55.6 -69.1 -30.3 4.1 25.7 26.3 115 113 A S H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.935 109.2 46.2 -64.5 -45.8 6.2 27.1 23.4 116 114 A I H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.930 112.0 53.2 -60.6 -47.2 9.2 27.5 25.6 117 115 A E H X S+ 0 0 87 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.914 108.5 47.5 -52.7 -51.2 8.6 24.0 27.0 118 116 A K H X S+ 0 0 76 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.931 114.0 47.6 -61.4 -46.4 8.5 22.3 23.6 119 117 A L H <>S+ 0 0 1 -4,-2.2 5,-2.7 1,-0.2 3,-0.3 0.935 113.6 46.1 -61.5 -47.0 11.7 24.0 22.4 120 118 A Q H ><5S+ 0 0 50 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.869 108.3 57.1 -65.4 -35.6 13.7 23.3 25.6 121 119 A N H 3<5S+ 0 0 136 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.783 105.4 51.9 -61.8 -29.3 12.4 19.7 25.5 122 120 A A T 3<5S- 0 0 22 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.299 122.6-110.5 -89.0 8.5 14.0 19.5 22.1 123 121 A N T < 5S+ 0 0 151 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.762 70.8 143.8 65.3 31.9 17.3 20.8 23.5 124 122 A I < - 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