==== 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 LIGASE 22-OCT-10 3PD2 . COMPND 2 MOLECULE: THREONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR T.HUSSAIN,V.KAMARTHAPU,S.P.KRUPARANI,R.SANKARANARAYANAN . 292 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 79.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 25.0 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 . 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 . 30 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 3 0 0 1 1 0 0 2 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 0 0 0 1 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 M 0 0 0 0, 0.0 138,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 135.2 21.9 7.0 -14.8 2 2 A R E -AB 44 138A 31 42,-2.2 42,-2.5 136,-0.2 2,-0.4 -0.951 360.0-169.5-114.7 133.9 21.1 4.9 -11.7 3 3 A V E -AB 43 137A 3 134,-2.6 134,-2.2 -2,-0.4 2,-0.5 -0.986 11.4-165.1-127.2 133.9 20.6 1.2 -12.0 4 4 A L E -AB 42 136A 11 38,-2.5 38,-2.6 -2,-0.4 2,-0.5 -0.977 14.2-159.4-118.1 116.4 19.3 -1.2 -9.4 5 5 A L E -AB 41 135A 1 130,-2.9 130,-2.0 -2,-0.5 2,-0.5 -0.861 10.2-177.5-102.5 123.2 19.9 -4.9 -10.3 6 6 A I E -AB 40 134A 3 34,-2.6 34,-2.8 -2,-0.5 2,-0.8 -0.948 18.7-149.1-124.3 111.5 17.8 -7.6 -8.8 7 7 A H E -A 39 0A 17 126,-2.1 121,-2.4 -2,-0.5 122,-0.4 -0.703 38.4-180.0 -77.5 113.4 18.6 -11.2 -9.5 8 8 A S E -AC 38 127A 0 30,-3.3 30,-1.6 -2,-0.8 119,-0.2 -0.822 50.4-131.9-126.0 160.7 15.1 -12.7 -9.3 9 9 A D E S- 0 0 47 117,-2.6 28,-2.4 -2,-0.3 2,-0.3 0.792 96.0 -21.2 -71.5 -27.6 13.1 -15.9 -9.5 10 10 A Y E -A 36 0A 40 116,-0.4 116,-1.2 26,-0.3 2,-0.4 -0.978 52.0-146.2-172.3 164.0 10.7 -13.9 -11.6 11 11 A I E +AC 35 125A 0 24,-1.9 24,-2.0 -2,-0.3 2,-0.3 -0.989 19.6 177.6-141.6 135.4 9.5 -10.5 -12.6 12 12 A E E -AC 34 124A 70 112,-2.0 112,-2.6 -2,-0.4 2,-0.3 -0.996 4.8-172.5-141.5 139.1 5.8 -9.7 -13.5 13 13 A Y E -AC 33 123A 13 20,-2.3 20,-1.7 -2,-0.3 2,-0.3 -0.920 12.9-162.4-133.8 161.3 4.2 -6.4 -14.4 14 14 A E E -AC 32 122A 87 108,-2.3 108,-2.5 -2,-0.3 2,-0.3 -0.939 24.2-129.3-144.8 116.0 0.8 -5.0 -15.1 15 15 A V E + C 0 121A 17 16,-3.2 106,-0.3 -2,-0.3 3,-0.1 -0.517 26.3 179.1 -67.3 127.3 0.3 -1.7 -16.9 16 16 A K E - 0 0 93 104,-3.4 2,-0.3 1,-0.4 105,-0.2 0.747 59.5 -38.2-100.1 -32.5 -2.1 0.4 -14.7 17 17 A D E S- C 0 120A 103 103,-1.3 103,-3.2 260,-0.1 -1,-0.4 -0.936 71.4 -76.8 179.2 166.9 -2.4 3.6 -16.8 18 18 A K E - C 0 119A 108 -2,-0.3 101,-0.3 101,-0.2 100,-0.1 -0.688 26.3-165.9 -87.7 138.1 -0.2 5.9 -18.9 19 19 A A S S+ 0 0 25 99,-2.5 2,-0.3 -2,-0.4 100,-0.2 0.518 74.4 45.7 -95.4 -9.4 2.2 8.2 -17.1 20 20 A L S S- 0 0 44 98,-1.1 -2,-0.0 1,-0.1 0, 0.0 -0.893 86.3-114.3-131.0 160.8 2.9 10.4 -20.1 21 21 A K S S+ 0 0 169 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.909 113.8 23.6 -61.0 -41.5 0.7 11.9 -22.9 22 22 A N S S- 0 0 145 -3,-0.0 -1,-0.3 3,-0.0 -3,-0.0 -0.680 82.3-179.3-130.5 80.3 2.3 9.7 -25.5 23 23 A P - 0 0 20 0, 0.0 95,-0.2 0, 0.0 3,-0.1 -0.202 48.6 -64.2 -72.5 167.3 3.8 6.5 -24.0 24 24 A E - 0 0 29 93,-2.6 2,-0.2 1,-0.1 0, 0.0 -0.284 62.2-109.0 -53.6 127.1 5.6 3.8 -25.9 25 25 A P + 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.430 53.2 162.1 -63.1 127.5 3.1 2.2 -28.4 26 26 A I - 0 0 39 -2,-0.2 2,-0.2 -3,-0.1 5,-0.0 -0.902 31.8-116.3-141.5 169.6 2.2 -1.3 -27.3 27 27 A S > - 0 0 52 -2,-0.3 3,-1.6 1,-0.1 4,-0.1 -0.572 35.9 -97.9-105.2 170.8 -0.5 -4.0 -27.9 28 28 A E G > S+ 0 0 174 1,-0.3 3,-2.3 -2,-0.2 4,-0.3 0.900 119.9 57.6 -52.1 -50.6 -3.0 -5.6 -25.6 29 29 A D G 3 S+ 0 0 126 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.636 100.9 60.4 -59.6 -13.7 -0.9 -8.7 -24.9 30 30 A M G < S+ 0 0 54 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.373 76.7 88.0 -96.1 4.0 1.8 -6.4 -23.6 31 31 A K S < S+ 0 0 94 -3,-2.3 -16,-3.2 -4,-0.1 2,-0.4 0.737 99.0 35.6 -70.8 -24.9 -0.3 -4.9 -20.8 32 32 A R E S+A 14 0A 184 -3,-0.4 2,-0.3 -4,-0.3 -18,-0.2 -0.973 77.6 172.7-126.7 142.5 0.9 -7.8 -18.7 33 33 A G E -A 13 0A 18 -20,-1.7 -20,-2.3 -2,-0.4 2,-0.3 -0.986 7.8-179.0-149.7 157.8 4.4 -9.3 -18.9 34 34 A R E -A 12 0A 114 -2,-0.3 2,-0.3 -22,-0.2 -22,-0.2 -0.992 7.1-175.6-157.9 153.3 6.6 -11.8 -17.2 35 35 A M E -A 11 0A 25 -24,-2.0 -24,-1.9 -2,-0.3 3,-0.2 -0.976 19.2-136.6-151.6 140.2 10.1 -13.4 -17.3 36 36 A E E S+A 10 0A 87 -2,-0.3 -26,-0.3 1,-0.2 -27,-0.1 -0.663 74.9 4.3-101.0 156.4 11.6 -16.2 -15.2 37 37 A E E S+ 0 0 93 -28,-2.4 38,-0.7 -2,-0.2 37,-0.4 0.899 94.7 157.0 36.1 74.1 15.0 -16.6 -13.5 38 38 A V E -Ad 8 75A 0 -30,-1.6 -30,-3.3 -3,-0.2 2,-0.8 -0.910 55.1-127.7-135.1 153.6 16.1 -13.1 -14.5 39 39 A L E -Ad 7 76A 1 36,-2.6 38,-2.4 -2,-0.3 2,-0.5 -0.884 35.2-151.4 -96.1 110.0 18.4 -10.2 -13.7 40 40 A V E -Ad 6 77A 0 -34,-2.8 -34,-2.6 -2,-0.8 2,-0.7 -0.764 6.9-160.8 -88.4 125.4 16.0 -7.3 -13.4 41 41 A A E -Ad 5 78A 0 36,-3.0 38,-2.8 -2,-0.5 2,-0.6 -0.866 1.8-166.1-110.9 97.5 17.5 -3.9 -14.3 42 42 A F E -Ad 4 79A 10 -38,-2.6 -38,-2.5 -2,-0.7 2,-0.4 -0.745 19.7-167.1 -81.0 119.6 15.5 -1.0 -12.9 43 43 A I E -Ad 3 80A 0 36,-2.2 38,-3.0 -2,-0.6 2,-0.5 -0.945 23.4-172.1-123.5 131.6 16.8 2.0 -14.7 44 44 A S E -A 2 0A 0 -42,-2.5 -42,-2.2 -2,-0.4 2,-0.5 -0.976 20.1-145.3-116.0 118.6 16.4 5.7 -14.1 45 45 A V - 0 0 0 -2,-0.5 44,-2.6 -44,-0.2 2,-0.2 -0.749 23.0-145.7 -85.0 126.1 17.9 7.9 -16.9 46 46 A E B >> -L 88 0B 23 -2,-0.5 3,-1.7 42,-0.3 4,-0.5 -0.568 22.1-112.1 -99.5 157.5 19.4 11.1 -15.4 47 47 A K G >4 S+ 0 0 120 40,-1.6 3,-1.7 1,-0.3 4,-0.3 0.869 116.7 58.3 -47.5 -44.0 19.6 14.7 -16.6 48 48 A V G >4 S+ 0 0 36 39,-0.3 3,-1.6 1,-0.3 4,-0.3 0.798 93.3 67.8 -60.1 -28.5 23.4 14.3 -16.9 49 49 A D G X4 S+ 0 0 0 -3,-1.7 3,-1.3 1,-0.3 -1,-0.3 0.729 81.6 76.0 -65.5 -20.4 23.0 11.5 -19.3 50 50 A E G << S+ 0 0 54 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.768 82.6 69.1 -61.1 -25.6 21.6 13.9 -21.8 51 51 A K G < S+ 0 0 127 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.795 122.7 3.6 -64.7 -30.9 25.1 15.1 -22.4 52 52 A N <> + 0 0 53 -3,-1.3 4,-2.0 -4,-0.3 -1,-0.3 -0.476 64.0 174.5-159.3 82.0 26.1 11.8 -24.1 53 53 A P H > S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.859 84.1 50.2 -55.9 -42.7 23.3 9.2 -24.6 54 54 A E H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.891 109.2 50.8 -67.4 -40.4 25.5 6.8 -26.6 55 55 A E H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.928 113.8 45.1 -62.9 -45.5 28.3 6.8 -24.0 56 56 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 -7,-0.2 -2,-0.2 0.913 111.8 51.8 -64.8 -44.0 25.9 6.1 -21.2 57 57 A S H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.926 110.2 49.2 -59.0 -46.5 24.1 3.3 -23.1 58 58 A L H X S+ 0 0 96 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.920 113.9 44.0 -60.9 -46.1 27.4 1.6 -23.9 59 59 A K H X S+ 0 0 71 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.856 112.9 53.2 -68.9 -31.4 28.6 1.6 -20.3 60 60 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.907 107.2 51.3 -68.3 -41.4 25.2 0.6 -19.1 61 61 A I H X S+ 0 0 12 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.919 112.9 46.8 -60.2 -43.0 25.2 -2.4 -21.4 62 62 A E H X S+ 0 0 72 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.939 113.4 45.6 -65.7 -50.1 28.6 -3.4 -20.1 63 63 A E H X S+ 0 0 49 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.920 116.1 45.7 -61.3 -45.0 27.8 -3.0 -16.4 64 64 A I H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.913 113.0 50.5 -65.0 -42.8 24.5 -4.9 -16.7 65 65 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.859 106.6 55.6 -63.5 -36.9 26.0 -7.6 -18.8 66 66 A K H X S+ 0 0 76 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.894 108.7 45.9 -64.9 -40.6 28.8 -8.1 -16.3 67 67 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.911 109.6 55.1 -68.6 -40.7 26.5 -8.7 -13.4 68 68 A A H X>S+ 0 0 0 -4,-2.0 5,-2.7 1,-0.2 4,-0.5 0.906 109.9 47.3 -57.3 -42.1 24.4 -11.1 -15.5 69 69 A E H ><5S+ 0 0 129 -4,-2.0 3,-0.6 3,-0.2 -1,-0.2 0.909 109.7 53.9 -65.7 -43.1 27.5 -13.1 -16.2 70 70 A Q H 3<5S+ 0 0 115 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.896 117.3 34.0 -59.1 -44.8 28.4 -13.1 -12.5 71 71 A V H 3<5S- 0 0 26 -4,-2.4 -1,-0.2 61,-0.1 -2,-0.2 0.371 110.6-117.8 -94.6 5.2 25.1 -14.5 -11.2 72 72 A K T <<5 + 0 0 73 -3,-0.6 2,-0.6 -4,-0.5 -3,-0.2 0.878 51.9 166.7 61.5 40.4 24.7 -16.7 -14.3 73 73 A A < - 0 0 3 -5,-2.7 -1,-0.2 -6,-0.2 -35,-0.1 -0.789 18.8-177.9 -88.5 122.6 21.4 -14.9 -15.4 74 74 A E S S+ 0 0 136 -2,-0.6 37,-2.5 -37,-0.4 2,-0.4 0.676 70.8 60.1 -90.4 -21.6 20.6 -15.9 -18.9 75 75 A N E -de 38 111A 35 -38,-0.7 -36,-2.6 35,-0.2 2,-0.4 -0.903 65.0-173.0-111.9 135.1 17.6 -13.6 -18.9 76 76 A V E -de 39 112A 0 35,-2.3 37,-2.7 -2,-0.4 2,-0.5 -0.992 7.9-157.7-129.9 136.6 17.7 -9.9 -18.4 77 77 A F E -de 40 113A 7 -38,-2.4 -36,-3.0 -2,-0.4 2,-0.7 -0.944 7.7-150.2-121.0 112.7 14.7 -7.5 -18.0 78 78 A V E -de 41 114A 4 35,-2.5 37,-1.9 -2,-0.5 -36,-0.2 -0.719 21.0-176.0 -82.0 114.2 15.1 -3.8 -18.8 79 79 A Y E -d 42 0A 0 -38,-2.8 -36,-2.2 -2,-0.7 2,-0.1 -0.910 23.0-135.9-118.5 104.3 12.6 -2.1 -16.5 80 80 A P E +d 43 0A 5 0, 0.0 2,-0.2 0, 0.0 -36,-0.2 -0.403 30.0 173.2 -59.4 126.6 12.2 1.7 -16.8 81 81 A F > + 0 0 4 -38,-3.0 3,-1.4 1,-0.1 4,-0.2 -0.678 9.2 180.0-139.5 81.0 12.1 3.0 -13.2 82 82 A A G > S+ 0 0 0 211,-2.2 3,-1.5 1,-0.3 -1,-0.1 0.860 74.7 60.1 -50.6 -48.0 12.1 6.8 -13.2 83 83 A H G 3 S+ 0 0 47 210,-0.5 -1,-0.3 1,-0.3 -39,-0.1 0.176 73.2 93.1 -75.9 23.3 12.0 7.3 -9.5 84 84 A L G < S+ 0 0 11 -3,-1.4 2,-0.3 -82,-0.1 -1,-0.3 0.689 98.2 33.7 -81.9 -17.3 15.3 5.5 -8.8 85 85 A S < - 0 0 4 -3,-1.5 3,-0.1 -4,-0.2 199,-0.1 -0.870 67.6-144.7-132.2 164.6 16.7 9.0 -9.1 86 86 A S S S+ 0 0 77 -2,-0.3 2,-0.5 1,-0.2 -3,-0.1 0.455 91.5 63.2-107.9 -5.8 15.7 12.6 -8.3 87 87 A E S S- 0 0 55 0, 0.0 -40,-1.6 0, 0.0 -39,-0.3 -0.809 78.7-168.6-121.7 87.2 17.3 14.3 -11.3 88 88 A L B -L 46 0B 61 -2,-0.5 -42,-0.3 -42,-0.3 2,-0.2 -0.472 17.5-127.7 -85.6 148.2 15.6 12.9 -14.3 89 89 A A - 0 0 3 -44,-2.6 -42,-0.2 -2,-0.2 -44,-0.1 -0.483 49.3 -75.7 -84.1 158.3 16.5 13.1 -18.0 90 90 A K >> - 0 0 119 -2,-0.2 4,-2.6 -43,-0.1 3,-0.6 -0.256 44.5-121.4 -53.2 135.7 13.9 14.3 -20.6 91 91 A P H 3> S+ 0 0 54 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.892 111.5 52.0 -47.9 -48.3 11.4 11.5 -21.2 92 92 A S H 3> S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.869 112.7 45.8 -59.4 -37.7 12.1 11.3 -25.0 93 93 A V H <> S+ 0 0 32 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.865 110.6 53.3 -72.8 -37.5 15.8 11.0 -24.2 94 94 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.955 108.0 50.8 -61.6 -48.8 15.2 8.4 -21.6 95 95 A M H X S+ 0 0 40 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.932 110.5 49.9 -52.5 -50.2 13.2 6.3 -24.1 96 96 A D H X S+ 0 0 58 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.930 111.2 47.3 -56.3 -50.5 16.0 6.5 -26.6 97 97 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.886 111.0 51.5 -61.9 -39.1 18.7 5.4 -24.1 98 98 A L H X S+ 0 0 9 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.848 109.1 51.2 -67.9 -32.8 16.6 2.5 -22.9 99 99 A N H X S+ 0 0 47 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.930 110.4 49.1 -68.3 -43.3 16.1 1.3 -26.4 100 100 A R H X S+ 0 0 68 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.869 111.5 49.4 -62.2 -39.2 19.8 1.5 -27.1 101 101 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.920 110.8 49.8 -66.7 -43.8 20.5 -0.5 -23.9 102 102 A Y H X S+ 0 0 62 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.950 111.6 48.5 -58.5 -51.2 17.9 -3.1 -24.8 103 103 A Q H X S+ 0 0 129 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.875 111.1 51.6 -56.4 -41.2 19.5 -3.4 -28.3 104 104 A G H X S+ 0 0 14 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.882 108.9 47.7 -66.4 -41.1 23.0 -3.7 -26.8 105 105 A L H <>S+ 0 0 0 -4,-2.2 5,-1.5 2,-0.2 4,-0.4 0.844 110.1 54.0 -68.5 -33.5 22.1 -6.5 -24.4 106 106 A K H ><5S+ 0 0 116 -4,-1.9 3,-1.6 -5,-0.2 -2,-0.2 0.919 106.6 51.6 -66.5 -41.8 20.4 -8.4 -27.1 107 107 A E H 3<5S+ 0 0 170 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.839 100.3 64.0 -63.9 -30.6 23.5 -8.2 -29.2 108 108 A R T 3<5S- 0 0 111 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.630 120.4-108.7 -68.0 -13.5 25.5 -9.6 -26.2 109 109 A G T < 5S+ 0 0 67 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.506 72.6 134.6 100.5 3.5 23.5 -12.8 -26.6 110 110 A F < - 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