==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 31-JAN-12 4DIM . COMPND 2 MOLECULE: PHOSPHORIBOSYLGLYCINAMIDE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANAEROCOCCUS PREVOTII; . AUTHOR K.MICHALSKA,R.WU,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 393 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 19.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 35 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 1 1 1 3 1 2 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 . 0 2 1 2 2 1 3 0 1 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 0 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 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 3 A D 0 0 114 0, 0.0 25,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 -57.8 -6.8 10.7 41.5 2 4 A N + 0 0 158 23,-1.8 2,-0.3 1,-0.2 24,-0.2 0.989 360.0 139.1 68.3 74.7 -7.5 10.7 37.7 3 5 A K - 0 0 46 22,-0.4 24,-2.9 2,-0.0 2,-0.5 -0.985 48.5-125.7-146.2 140.1 -3.9 11.0 36.3 4 6 A R E +a 27 0A 55 -2,-0.3 64,-2.8 62,-0.3 65,-1.5 -0.811 25.4 180.0-101.0 121.6 -2.3 9.1 33.3 5 7 A L E -ab 28 69A 0 22,-2.0 24,-1.8 -2,-0.5 2,-0.5 -0.974 16.7-150.9-121.3 125.4 0.9 7.1 33.7 6 8 A L E -ab 29 70A 0 63,-2.0 65,-2.3 -2,-0.5 2,-0.6 -0.798 11.5-157.9 -92.3 121.2 2.6 5.3 30.9 7 9 A I E -ab 30 71A 0 22,-2.6 24,-2.5 -2,-0.5 2,-0.8 -0.922 12.4-138.8-101.9 119.6 4.4 2.3 32.1 8 10 A L E S+a 31 0A 0 63,-3.1 65,-0.5 -2,-0.6 70,-0.2 -0.710 74.1 16.4 -82.7 108.9 7.1 1.2 29.7 9 11 A G - 0 0 6 22,-2.7 22,-0.3 -2,-0.8 23,-0.1 0.070 56.6-152.6 107.2 146.5 7.0 -2.6 29.6 10 12 A A + 0 0 4 20,-0.1 27,-2.1 -2,-0.1 30,-0.2 -0.092 39.9 140.6-146.9 48.5 4.4 -5.1 30.8 11 13 A G > - 0 0 28 25,-0.2 3,-2.5 29,-0.1 4,-0.3 -0.287 69.5 -96.2 -82.3 166.2 6.1 -8.4 31.7 12 14 A R G > S+ 0 0 77 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.903 125.5 59.3 -50.4 -37.0 5.3 -10.8 34.6 13 15 A G G 3 S+ 0 0 47 1,-0.2 -1,-0.3 2,-0.1 262,-0.1 0.294 101.7 54.9 -75.8 11.2 8.1 -9.0 36.5 14 16 A Q G X> + 0 0 15 -3,-2.5 4,-0.8 1,-0.1 3,-0.8 0.396 69.6 101.5-128.3 12.6 6.3 -5.6 36.2 15 17 A L H <> S+ 0 0 66 -3,-1.2 4,-2.1 -4,-0.3 5,-0.1 0.606 70.2 71.7 -73.9 -13.0 2.8 -6.1 37.6 16 18 A G H 3> S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.858 98.7 45.8 -69.9 -38.1 3.7 -4.4 41.0 17 19 A L H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.845 112.7 50.9 -74.1 -32.2 3.8 -1.0 39.5 18 20 A Y H X S+ 0 0 0 -4,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.879 112.4 47.8 -68.1 -39.2 0.5 -1.6 37.6 19 21 A K H X S+ 0 0 111 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.928 113.1 46.9 -67.3 -45.4 -1.1 -2.7 40.9 20 22 A A H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.928 110.4 52.1 -64.3 -47.9 0.2 0.3 42.9 21 23 A A H X>S+ 0 0 0 -4,-2.3 5,-2.9 2,-0.2 4,-0.5 0.900 111.7 47.6 -54.4 -42.9 -0.8 2.8 40.2 22 24 A K H ><5S+ 0 0 120 -4,-1.8 3,-2.1 3,-0.2 -2,-0.2 0.970 109.6 52.1 -64.5 -49.4 -4.4 1.2 40.3 23 25 A E H 3<5S+ 0 0 114 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.817 110.2 50.4 -54.8 -35.6 -4.4 1.3 44.2 24 26 A L H 3<5S- 0 0 37 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.562 120.7-110.5 -75.8 -14.4 -3.5 5.1 43.9 25 27 A G T <<5 + 0 0 36 -3,-2.1 -23,-1.8 -4,-0.5 -22,-0.4 0.714 65.0 152.4 86.7 27.8 -6.4 5.7 41.4 26 28 A I < - 0 0 5 -5,-2.9 2,-0.8 -24,-0.2 -1,-0.3 -0.675 48.5-124.5 -92.3 145.4 -4.0 6.3 38.3 27 29 A H E -a 4 0A 53 -24,-2.9 -22,-2.0 -2,-0.3 2,-0.2 -0.757 34.6-150.9 -88.5 106.3 -5.1 5.6 34.7 28 30 A T E -a 5 0A 0 -2,-0.8 18,-2.1 15,-0.3 17,-0.8 -0.578 15.1-164.2 -91.2 146.6 -2.4 3.2 33.4 29 31 A I E -ac 6 46A 0 -24,-1.8 -22,-2.6 -2,-0.2 2,-0.8 -0.995 17.9-140.0-124.4 114.3 -1.2 2.9 29.8 30 32 A A E -ac 7 47A 0 16,-2.7 18,-3.0 -2,-0.5 2,-1.0 -0.751 9.8-157.6 -78.8 107.2 0.7 -0.3 29.0 31 33 A G E +ac 8 48A 0 -24,-2.5 -22,-2.7 -2,-0.8 2,-0.2 -0.797 46.8 124.0 -82.8 99.0 3.6 0.7 26.7 32 34 A T E - c 0 49A 13 16,-2.3 18,-3.1 -2,-1.0 4,-0.1 -0.847 62.2 -93.4-151.3-177.1 4.3 -2.7 25.1 33 35 A X - 0 0 108 -2,-0.2 18,-0.0 16,-0.2 15,-0.0 -0.696 57.5 -88.5-101.9 155.4 4.6 -5.1 22.2 34 36 A P S S+ 0 0 74 0, 0.0 2,-0.7 0, 0.0 -1,-0.0 0.790 116.2 47.6 -31.1 -55.7 1.6 -7.3 21.0 35 37 A N S S+ 0 0 160 -3,-0.0 2,-0.2 0, 0.0 -2,-0.2 -0.862 76.5 135.3-103.9 110.4 2.3 -10.3 23.3 36 38 A A - 0 0 33 -2,-0.7 2,-0.3 -4,-0.1 -25,-0.2 -0.731 61.8 -50.2-137.2-174.9 2.8 -9.3 27.0 37 39 A H > - 0 0 59 -27,-2.1 4,-1.8 -2,-0.2 3,-0.2 -0.512 43.0-148.8 -70.0 126.0 1.7 -10.4 30.5 38 40 A K H > S+ 0 0 160 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.947 94.5 53.1 -63.4 -52.2 -2.1 -10.7 30.8 39 41 A P H > S+ 0 0 61 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.812 110.7 49.6 -54.7 -31.2 -2.5 -9.7 34.6 40 42 A C H > S+ 0 0 0 -30,-0.2 4,-2.2 -3,-0.2 3,-0.4 0.928 113.7 45.8 -67.7 -45.2 -0.5 -6.5 33.8 41 43 A L H < S+ 0 0 38 -4,-1.8 -1,-0.2 1,-0.2 -3,-0.2 0.752 110.8 52.5 -67.7 -28.4 -2.9 -5.8 30.8 42 44 A N H < S+ 0 0 130 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.710 112.5 45.6 -81.4 -19.4 -5.9 -6.7 33.0 43 45 A L H < S+ 0 0 31 -4,-0.9 -15,-0.3 -3,-0.4 -2,-0.2 0.788 100.1 87.6 -83.9 -35.0 -4.6 -4.0 35.5 44 46 A A < - 0 0 13 -4,-2.2 -15,-0.1 1,-0.1 3,-0.1 -0.454 62.7-158.3 -70.0 138.0 -3.9 -1.5 32.6 45 47 A D S S+ 0 0 91 -17,-0.8 2,-0.3 -2,-0.2 -16,-0.2 0.815 80.5 21.6 -79.6 -35.1 -6.7 0.8 31.6 46 48 A E E -c 29 0A 62 -18,-2.1 -16,-2.7 2,-0.0 2,-0.4 -0.882 65.1-148.1-130.9 160.3 -5.0 1.4 28.1 47 49 A I E -c 30 0A 66 -2,-0.3 2,-0.5 -18,-0.2 -16,-0.2 -0.998 9.2-171.4-131.9 128.5 -2.5 -0.4 25.8 48 50 A S E -c 31 0A 19 -18,-3.0 -16,-2.3 -2,-0.4 2,-0.5 -0.994 21.6-136.8-122.7 114.2 -0.2 1.5 23.5 49 51 A Y E +c 32 0A 130 -2,-0.5 2,-0.3 -18,-0.2 -16,-0.2 -0.674 46.2 135.1 -79.2 121.7 1.7 -0.7 21.1 50 52 A X - 0 0 4 -18,-3.1 2,-0.8 -2,-0.5 -2,-0.1 -0.954 60.3-114.9-162.8 148.3 5.4 0.4 20.9 51 53 A D > - 0 0 55 -2,-0.3 3,-1.4 1,-0.1 7,-0.3 -0.834 29.5-164.8 -88.1 107.0 8.9 -0.9 20.9 52 54 A I T 3 S+ 0 0 20 -2,-0.8 29,-0.4 1,-0.3 30,-0.2 0.618 82.8 66.0 -72.5 -15.9 10.2 0.7 24.2 53 55 A S T 3 S+ 0 0 60 1,-0.1 -1,-0.3 27,-0.1 25,-0.1 0.475 87.1 78.8 -81.8 -4.4 13.8 -0.0 23.3 54 56 A N <> - 0 0 62 -3,-1.4 4,-2.3 1,-0.2 5,-0.2 -0.849 60.8-175.1-107.3 91.3 13.5 2.5 20.4 55 57 A P H > S+ 0 0 24 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.821 83.8 53.0 -59.5 -31.0 13.7 6.0 22.1 56 58 A D H > S+ 0 0 89 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.919 111.2 44.2 -69.5 -46.8 13.0 7.7 18.7 57 59 A E H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.912 114.5 50.9 -60.6 -45.6 9.7 5.7 18.1 58 60 A V H X S+ 0 0 1 -4,-2.3 4,-1.4 -7,-0.3 -2,-0.2 0.892 104.2 56.5 -60.0 -46.6 8.6 6.1 21.7 59 61 A E H < S+ 0 0 39 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.853 111.3 45.1 -54.4 -40.1 9.1 9.9 21.6 60 62 A Q H >< S+ 0 0 111 -4,-1.3 3,-1.0 1,-0.2 4,-0.4 0.932 110.6 52.2 -69.8 -48.2 6.8 10.1 18.6 61 63 A K H 3< S+ 0 0 94 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.702 104.5 57.1 -65.2 -21.4 4.1 7.8 20.0 62 64 A V T >< S+ 0 0 1 -4,-1.4 3,-1.0 1,-0.2 5,-0.5 0.521 82.6 81.1 -90.5 -11.1 3.8 9.8 23.4 63 65 A K T < S+ 0 0 132 -3,-1.0 3,-0.4 -4,-0.4 -1,-0.2 0.893 101.8 37.0 -63.4 -35.9 2.9 13.2 22.0 64 66 A D T 3 S+ 0 0 151 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.255 96.3 86.3-100.9 16.0 -0.8 12.2 21.6 65 67 A L S < S- 0 0 19 -3,-1.0 -1,-0.2 -61,-0.0 -2,-0.1 0.513 85.0-136.3 -96.8 -0.5 -1.0 10.0 24.8 66 68 A N - 0 0 129 -3,-0.4 -62,-0.3 -4,-0.3 -3,-0.1 0.870 37.5-176.0 55.7 43.0 -1.9 12.9 27.3 67 69 A L - 0 0 21 -5,-0.5 -62,-0.2 1,-0.1 -1,-0.2 -0.352 37.1-172.0 -79.3 151.7 0.6 11.7 29.9 68 70 A D S S- 0 0 64 -64,-2.8 24,-0.4 1,-0.4 2,-0.3 0.654 78.6 -17.0-102.5 -30.6 1.2 13.1 33.4 69 71 A G E -b 5 0A 0 -65,-1.5 -63,-2.0 22,-0.1 -1,-0.4 -0.951 56.6-137.5-159.8 178.0 4.2 10.8 33.9 70 72 A A E -b 6 0A 5 22,-0.5 2,-0.3 226,-0.4 -63,-0.2 -0.991 18.4-179.7-146.8 149.0 6.1 7.7 32.8 71 73 A A E -b 7 0A 4 -65,-2.3 -63,-3.1 -2,-0.3 2,-0.3 -0.981 11.1-172.5-148.1 156.2 7.8 4.9 34.5 72 74 A T - 0 0 10 -2,-0.3 199,-0.3 -65,-0.2 2,-0.3 -0.910 14.2-177.0-140.9 161.0 9.7 1.7 33.9 73 75 A C + 0 0 0 -65,-0.5 199,-0.1 -2,-0.3 5,-0.1 -0.974 53.2 12.4-163.6 150.1 10.8 -0.9 36.4 74 76 A C S S+ 0 0 10 197,-1.4 2,-0.3 -2,-0.3 199,-0.2 0.264 110.0 59.3 67.1 0.6 12.8 -4.1 36.8 75 77 A L - 0 0 93 197,-0.1 3,-0.3 198,-0.1 -2,-0.1 -0.994 65.1-142.0-156.1 150.6 14.4 -4.0 33.3 76 78 A D S > S+ 0 0 77 -2,-0.3 3,-1.7 1,-0.2 4,-0.5 0.498 76.5 101.8 -88.4 -9.0 16.8 -1.7 31.2 77 79 A T T 3 S+ 0 0 77 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.883 97.9 21.7 -42.7 -51.8 14.9 -2.4 27.8 78 80 A G T 3> S+ 0 0 0 -3,-0.3 4,-2.1 -70,-0.2 -1,-0.3 -0.041 90.9 108.7-111.4 33.5 13.0 1.0 28.0 79 81 A I H <> S+ 0 0 15 -3,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.833 84.5 41.9 -81.3 -35.3 15.3 3.1 30.3 80 82 A V H > S+ 0 0 37 -4,-0.5 4,-2.3 -3,-0.3 5,-0.2 0.947 113.2 53.1 -73.5 -49.4 16.7 5.4 27.7 81 83 A S H > S+ 0 0 2 -29,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.921 109.0 51.1 -53.6 -42.8 13.2 5.8 26.0 82 84 A L H X S+ 0 0 11 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.920 107.5 52.8 -57.3 -48.0 11.8 6.8 29.4 83 85 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 13,-0.4 0.902 111.2 46.0 -55.6 -42.4 14.6 9.4 29.8 84 86 A R H X S+ 0 0 41 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.931 109.3 54.9 -67.8 -44.6 13.7 10.9 26.4 85 87 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 6,-0.3 0.942 113.4 43.1 -49.5 -51.7 9.9 10.9 27.3 86 88 A C H X>S+ 0 0 4 -4,-2.7 5,-1.0 1,-0.2 4,-0.7 0.876 114.3 49.3 -64.4 -42.5 10.8 12.9 30.4 87 89 A D H <5S+ 0 0 77 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.783 122.2 33.0 -66.2 -33.1 13.3 15.2 28.6 88 90 A K H <5S+ 0 0 108 -4,-2.6 -2,-0.2 -3,-0.2 -3,-0.2 0.837 124.8 39.2 -95.9 -39.7 10.8 16.0 25.8 89 91 A E H <5S- 0 0 46 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.447 105.9-125.2 -88.4 0.5 7.3 15.9 27.6 90 92 A N T <5 + 0 0 149 -4,-0.7 2,-0.2 -5,-0.3 -3,-0.2 0.901 56.3 153.8 55.7 48.9 8.9 17.6 30.7 91 93 A L < - 0 0 29 -5,-1.0 -1,-0.2 -6,-0.3 2,-0.1 -0.667 53.1 -88.8-101.2 156.1 7.8 14.9 33.0 92 94 A V S S+ 0 0 32 204,-0.6 -22,-0.5 -24,-0.4 2,-0.3 -0.468 80.1 81.1 -68.9 138.8 9.5 13.9 36.3 93 95 A G S S- 0 0 22 -2,-0.1 156,-0.2 -24,-0.1 -22,-0.1 -0.927 79.5 -36.5 156.8-176.6 12.3 11.3 35.9 94 96 A L - 0 0 5 -2,-0.3 2,-0.2 154,-0.3 -8,-0.2 -0.347 59.7-118.8 -68.1 156.5 15.9 10.6 35.0 95 97 A N > - 0 0 52 150,-0.3 4,-1.4 -9,-0.1 3,-0.4 -0.609 19.0-115.8 -98.3 158.3 17.5 12.7 32.1 96 98 A E H > S+ 0 0 28 -13,-0.4 4,-2.2 1,-0.2 5,-0.2 0.852 111.6 58.3 -66.1 -35.4 18.8 11.1 28.8 97 99 A E H > S+ 0 0 155 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.857 109.5 46.7 -63.9 -28.8 22.5 12.1 29.3 98 100 A A H > S+ 0 0 1 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.839 110.9 50.8 -76.4 -39.4 22.5 10.1 32.7 99 101 A A H X S+ 0 0 6 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.837 111.4 48.6 -65.5 -39.7 20.8 7.1 31.2 100 102 A I H X S+ 0 0 72 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.819 109.6 52.8 -65.8 -40.2 23.4 7.0 28.3 101 103 A X H < S+ 0 0 51 -4,-1.2 7,-0.3 -5,-0.2 -2,-0.2 0.883 110.4 46.4 -68.6 -38.8 26.2 7.3 30.8 102 104 A C H < S+ 0 0 15 -4,-1.7 165,-0.3 1,-0.2 -2,-0.2 0.883 113.0 51.1 -64.1 -44.6 24.9 4.3 32.8 103 105 A G H < S+ 0 0 69 -4,-1.8 2,-0.6 1,-0.1 -2,-0.2 0.680 103.2 64.4 -68.3 -24.3 24.5 2.3 29.7 104 106 A D X - 0 0 52 -4,-1.3 4,-2.3 1,-0.1 3,-0.3 -0.917 65.0-161.6-111.1 107.4 28.0 3.0 28.4 105 107 A K H > S+ 0 0 55 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.791 92.1 55.3 -52.5 -37.0 30.8 1.5 30.5 106 108 A Y H > S+ 0 0 83 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.926 113.8 40.3 -63.0 -47.6 33.5 3.8 28.9 107 109 A K H > S+ 0 0 94 -3,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.785 116.5 50.7 -68.8 -36.4 31.4 7.0 29.8 108 110 A X H X S+ 0 0 0 -4,-2.3 4,-2.1 -7,-0.3 -2,-0.2 0.920 112.1 45.3 -67.2 -47.3 30.5 5.6 33.3 109 111 A K H X S+ 0 0 15 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.701 108.9 58.0 -71.8 -21.3 34.1 4.7 34.2 110 112 A E H X S+ 0 0 124 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.859 108.8 45.2 -73.2 -40.8 35.2 8.2 32.9 111 113 A A H X S+ 0 0 4 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.893 109.9 55.1 -68.5 -42.9 32.8 9.9 35.4 112 114 A F H X>S+ 0 0 1 -4,-2.1 5,-2.8 2,-0.2 4,-0.6 0.854 108.8 46.9 -63.5 -33.1 33.9 7.6 38.2 113 115 A K H ><5S+ 0 0 145 -4,-1.4 3,-0.5 3,-0.2 -2,-0.2 0.958 115.5 46.9 -71.1 -41.5 37.6 8.5 37.6 114 116 A K H 3<5S+ 0 0 154 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.862 122.5 33.8 -61.6 -47.1 36.7 12.3 37.5 115 117 A Y H 3<5S- 0 0 116 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.368 112.8-119.8 -94.0 3.2 34.4 12.1 40.6 116 118 A N T <<5 + 0 0 113 -4,-0.6 2,-0.4 -3,-0.5 -3,-0.2 0.960 49.3 167.3 57.7 58.3 36.7 9.4 42.3 117 119 A V < - 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