==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-NOV-10 3PR1 . COMPND 2 MOLECULE: PROBABLE GTP-BINDING PROTEIN ENGB; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.H.CHAN,K.B.WONG . 172 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 15 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 1 0 0 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A I 0 0 74 0, 0.0 2,-0.5 0, 0.0 166,-0.0 0.000 360.0 360.0 360.0 -57.5 -7.1 -34.7 -0.9 2 3 A I + 0 0 28 1,-0.2 3,-0.1 40,-0.1 51,-0.0 -0.697 360.0 141.5 -81.0 123.2 -7.7 -33.2 -4.4 3 4 A R + 0 0 146 -2,-0.5 2,-0.4 1,-0.4 -1,-0.2 0.598 65.0 29.5-127.6 -46.2 -7.5 -36.0 -7.0 4 5 A D - 0 0 90 2,-0.0 50,-1.8 0, 0.0 -1,-0.4 -0.972 60.5-176.9-122.3 137.9 -10.3 -35.2 -9.6 5 6 A V E +A 53 0A 34 -2,-0.4 2,-0.4 48,-0.2 48,-0.2 -0.973 8.0 166.2-135.4 122.1 -11.7 -31.8 -10.5 6 7 A E E -A 52 0A 87 46,-2.0 46,-2.9 -2,-0.4 2,-0.7 -0.977 35.4-133.8-136.4 126.2 -14.5 -31.1 -12.9 7 8 A L E +A 51 0A 87 -2,-0.4 44,-0.2 44,-0.3 3,-0.1 -0.663 39.1 163.3 -67.6 115.3 -16.6 -27.9 -13.6 8 9 A V E + 0 0 65 42,-2.7 2,-0.3 -2,-0.7 -1,-0.2 0.611 51.3 31.1-114.4 -18.1 -20.0 -29.5 -13.6 9 10 A K E -A 50 0A 79 41,-1.4 41,-3.5 2,-0.0 2,-0.5 -0.972 44.3-169.9-151.3 131.9 -22.5 -26.7 -13.2 10 11 A V E -A 49 0A 80 -2,-0.3 2,-0.5 39,-0.2 39,-0.2 -0.988 26.4-163.8-112.2 117.8 -22.8 -23.0 -14.0 11 12 A A E +A 48 0A 0 37,-2.9 37,-2.1 -2,-0.5 6,-0.0 -0.906 28.0 173.4-113.7 131.9 -25.8 -21.6 -12.1 12 13 A R S S+ 0 0 186 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.552 79.4 24.9-104.5 -16.2 -27.6 -18.3 -12.8 13 14 A T S > S- 0 0 49 35,-0.1 3,-2.4 1,-0.0 -1,-0.2 -0.970 86.6-105.9-144.2 158.3 -30.4 -19.0 -10.3 14 15 A P G > S+ 0 0 44 0, 0.0 3,-1.6 0, 0.0 -1,-0.0 0.762 116.0 66.5 -56.5 -30.7 -30.8 -21.2 -7.2 15 16 A G G 3 S+ 0 0 77 1,-0.3 -4,-0.0 -3,-0.0 0, 0.0 0.597 94.9 64.7 -63.2 -8.4 -33.0 -23.7 -9.0 16 17 A D G < S+ 0 0 56 -3,-2.4 -1,-0.3 2,-0.0 -6,-0.1 0.459 72.7 113.5 -95.0 -4.5 -29.7 -24.4 -10.9 17 18 A Y < - 0 0 30 -3,-1.6 -7,-0.0 -4,-0.1 -5,-0.0 -0.493 69.0-117.1 -76.5 139.0 -27.6 -25.7 -8.0 18 19 A P - 0 0 13 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.268 47.2 -75.3 -69.4 159.0 -26.5 -29.4 -8.2 19 20 A P - 0 0 96 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.257 56.1-102.7 -55.7 136.4 -27.8 -31.8 -5.6 20 21 A P - 0 0 78 0, 0.0 4,-0.1 0, 0.0 37,-0.1 -0.299 48.0-179.7 -56.2 145.0 -25.9 -31.4 -2.3 21 22 A L - 0 0 81 2,-0.3 36,-0.2 64,-0.1 3,-0.1 0.267 50.1 -46.0-116.4-117.1 -23.4 -34.2 -1.8 22 23 A K S S- 0 0 149 34,-2.7 2,-0.2 1,-0.3 35,-0.2 0.271 112.2 -16.7-110.1 8.9 -20.9 -35.0 0.9 23 24 A G - 0 0 8 33,-0.3 35,-1.6 2,-0.0 -1,-0.3 -0.828 54.0-159.8 161.3 159.5 -19.5 -31.5 1.5 24 25 A E E +b 58 0A 1 -2,-0.2 63,-2.5 33,-0.2 64,-0.5 -0.933 7.4 176.6-163.4 132.2 -19.2 -28.0 0.1 25 26 A V E -bc 59 88A 0 33,-2.0 35,-3.0 -2,-0.3 2,-0.3 -0.929 17.5-149.8-130.1 160.0 -17.0 -24.9 0.5 26 27 A A E -bc 60 89A 0 62,-2.5 64,-2.9 -2,-0.3 2,-0.4 -0.865 3.3-147.8-130.2 165.6 -17.1 -21.7 -1.4 27 28 A F E +bc 61 90A 0 33,-2.5 35,-2.5 -2,-0.3 2,-0.3 -0.999 24.9 154.6-137.3 131.4 -14.8 -18.9 -2.5 28 29 A V E + c 0 91A 0 62,-2.2 64,-2.5 -2,-0.4 2,-0.3 -0.983 5.2 129.3-154.7 157.6 -15.5 -15.2 -2.9 29 30 A G E - c 0 92A 0 -2,-0.3 36,-1.1 62,-0.2 64,-0.1 -0.940 59.3 -45.0 174.9-177.9 -13.7 -11.9 -2.9 30 31 A R > - 0 0 97 62,-0.6 3,-1.2 -2,-0.3 5,-0.3 -0.274 69.5 -88.1 -64.7 154.6 -13.3 -8.7 -5.0 31 32 A S T 3 S+ 0 0 71 34,-1.7 -1,-0.1 1,-0.2 34,-0.0 -0.366 116.1 21.0 -57.2 144.4 -12.7 -9.0 -8.7 32 33 A N T 3 S+ 0 0 154 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.749 84.9 125.2 62.9 27.7 -9.0 -9.2 -9.5 33 34 A V S < S- 0 0 6 -3,-1.2 -2,-0.1 -4,-0.1 -1,-0.1 0.638 88.5 -99.9 -88.5 -15.1 -8.2 -10.4 -6.0 34 35 A G S > S+ 0 0 18 -4,-0.2 4,-2.0 88,-0.1 5,-0.1 0.652 77.4 140.5 103.0 24.3 -6.4 -13.5 -7.3 35 36 A K H > S+ 0 0 30 -5,-0.3 4,-2.5 1,-0.2 5,-0.2 0.878 71.2 50.4 -66.6 -39.9 -9.3 -15.9 -6.8 36 37 A S H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 110.8 47.1 -67.0 -44.5 -8.6 -17.7 -10.1 37 38 A S H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.887 112.4 53.1 -64.5 -37.3 -4.9 -18.3 -9.4 38 39 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.959 109.5 46.1 -60.9 -52.5 -5.8 -19.5 -5.9 39 40 A L H X S+ 0 0 5 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.901 113.6 50.8 -57.5 -41.7 -8.3 -22.1 -7.2 40 41 A N H X>S+ 0 0 78 -4,-2.3 4,-2.5 2,-0.2 5,-1.1 0.915 109.5 49.2 -60.7 -45.2 -5.7 -23.1 -9.8 41 42 A A H <5S+ 0 0 32 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.861 115.9 44.6 -62.8 -36.3 -3.1 -23.5 -7.1 42 43 A L H <5S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.929 119.0 39.9 -71.8 -48.5 -5.5 -25.6 -5.0 43 44 A F H <5S- 0 0 10 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.801 100.2-142.1 -69.4 -26.9 -6.8 -27.7 -7.9 44 45 A N T <5 0 0 139 -4,-2.5 -3,-0.2 -5,-0.3 -4,-0.1 0.794 360.0 360.0 65.8 32.0 -3.2 -27.8 -9.1 45 46 A R < 0 0 176 -5,-1.1 -5,-0.1 -6,-0.2 -4,-0.1 0.385 360.0 360.0-145.6 360.0 -4.4 -27.6 -12.7 46 ! 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 47 60 A S 0 0 63 0, 0.0 2,-0.6 0, 0.0 -35,-0.2 0.000 360.0 360.0 360.0 170.6 -22.6 -16.7 -12.2 48 61 A I E -A 11 0A 0 -37,-2.1 -37,-2.9 14,-0.1 2,-0.4 -0.865 360.0-156.2 -97.7 119.1 -21.9 -19.3 -9.6 49 62 A N E -AD 10 61A 34 12,-2.0 12,-2.6 -2,-0.6 2,-0.6 -0.833 2.0-150.6-102.5 133.6 -19.6 -22.2 -10.9 50 63 A F E -AD 9 60A 0 -41,-3.5 -42,-2.7 -2,-0.4 -41,-1.4 -0.892 6.4-163.6-110.6 116.3 -19.7 -25.6 -9.2 51 64 A Y E -AD 7 59A 49 8,-2.1 8,-2.0 -2,-0.6 2,-0.4 -0.868 13.7-141.6-100.3 117.6 -16.6 -27.8 -9.2 52 65 A L E -AD 6 58A 26 -46,-2.9 -46,-2.0 -2,-0.6 2,-0.5 -0.619 20.5-165.1 -72.9 124.0 -17.0 -31.5 -8.4 53 66 A V E >> -AD 5 57A 0 4,-2.9 4,-2.2 -2,-0.4 3,-1.7 -0.961 67.1 -12.7-119.6 127.4 -14.1 -32.6 -6.4 54 67 A N T 34 S- 0 0 11 -50,-1.8 -1,-0.1 -2,-0.5 -49,-0.1 0.628 112.9 -79.7 61.0 15.7 -13.3 -36.3 -5.8 55 68 A S T 34 S+ 0 0 80 -51,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.501 129.1 59.3 73.6 6.3 -16.7 -37.2 -7.2 56 69 A K T <4 S+ 0 0 66 -3,-1.7 -34,-2.7 1,-0.1 -33,-0.3 0.504 93.2 53.2-143.7 -10.0 -18.4 -36.3 -3.8 57 70 A Y E < - D 0 53A 11 -4,-2.2 -4,-2.9 -36,-0.2 2,-0.4 -0.835 62.4-134.9-123.7 167.4 -17.7 -32.7 -2.8 58 71 A Y E -bD 24 52A 13 -35,-1.6 -33,-2.0 -2,-0.3 2,-0.5 -0.972 6.3-163.9-120.7 139.5 -18.1 -29.2 -4.3 59 72 A F E -bD 25 51A 1 -8,-2.0 -8,-2.1 -2,-0.4 2,-0.6 -0.995 27.3-149.2-106.5 119.6 -15.7 -26.2 -4.3 60 73 A V E -bD 26 50A 0 -35,-3.0 -33,-2.5 -2,-0.5 2,-0.9 -0.828 7.8-154.3-101.6 121.9 -18.0 -23.3 -5.2 61 74 A D E -bD 27 49A 24 -12,-2.6 -12,-2.0 -2,-0.6 -33,-0.1 -0.787 18.9-159.8 -93.5 101.4 -16.5 -20.4 -7.2 62 75 A L - 0 0 1 -35,-2.5 -33,-0.1 -2,-0.9 -14,-0.1 -0.480 27.3 -91.1 -83.1 153.0 -18.7 -17.3 -6.4 63 76 A P - 0 0 20 0, 0.0 -34,-0.2 0, 0.0 2,-0.1 -0.373 43.1-117.0 -62.2 131.3 -18.9 -14.2 -8.6 64 77 A G 0 0 24 -2,-0.1 -34,-0.2 -36,-0.1 8,-0.0 -0.428 360.0 360.0 -68.3 142.7 -16.4 -11.4 -7.7 65 78 A Y 0 0 55 -36,-1.1 -34,-1.7 -2,-0.1 -1,-0.1 -0.723 360.0 360.0 -98.7 360.0 -17.8 -8.1 -6.4 66 ! 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 67 86 A K >> 0 0 208 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 177.3 -26.4 -1.9 -12.4 68 87 A E H 3> + 0 0 150 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.584 360.0 83.2 -64.6 -9.6 -24.8 -5.3 -12.6 69 88 A R H 3> S+ 0 0 174 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.900 87.6 49.5 -60.4 -42.3 -24.3 -4.8 -8.9 70 89 A M H <> S+ 0 0 111 -3,-1.3 4,-2.6 2,-0.2 5,-0.2 0.821 107.4 54.7 -70.3 -32.2 -27.8 -5.9 -8.1 71 90 A L H X S+ 0 0 103 -4,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.943 111.4 44.2 -62.1 -50.1 -27.4 -9.1 -10.3 72 91 A W H X S+ 0 0 33 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.903 113.5 53.8 -60.0 -42.6 -24.3 -10.0 -8.3 73 92 A K H X S+ 0 0 67 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.942 111.0 41.9 -59.1 -53.9 -26.1 -9.2 -5.1 74 93 A R H X S+ 0 0 155 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.923 112.7 56.6 -63.1 -43.7 -29.1 -11.4 -5.7 75 94 A L H X S+ 0 0 12 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.945 111.5 39.4 -50.7 -58.7 -27.0 -14.2 -7.0 76 95 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-0.3 0.923 114.0 54.5 -62.6 -44.5 -24.8 -14.5 -3.8 77 96 A E H X S+ 0 0 76 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.886 105.1 52.5 -57.1 -44.5 -27.7 -13.9 -1.4 78 97 A D H X S+ 0 0 32 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.840 112.0 47.6 -61.1 -34.4 -29.8 -16.8 -2.9 79 98 A Y H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.3 -2,-0.2 0.963 114.1 45.2 -69.5 -52.2 -26.8 -19.1 -2.4 80 99 A F H < S+ 0 0 5 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.873 119.9 39.9 -57.0 -42.5 -26.0 -18.0 1.2 81 100 A K H < S+ 0 0 140 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.744 125.2 35.1 -84.0 -23.5 -29.7 -18.2 2.2 82 101 A N H < S+ 0 0 93 -4,-1.3 2,-1.1 -5,-0.3 -2,-0.2 0.679 99.2 74.7-106.3 -20.7 -30.6 -21.4 0.4 83 102 A R >< + 0 0 18 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 -0.632 48.3 165.3-100.2 75.4 -27.5 -23.6 0.4 84 103 A W T 3 + 0 0 225 -2,-1.1 -1,-0.2 1,-0.3 -4,-0.0 0.644 69.0 71.7 -68.0 -16.5 -27.5 -24.9 4.0 85 104 A S T 3 + 0 0 47 -3,-0.1 2,-0.6 -62,-0.1 -1,-0.3 0.219 69.2 119.4 -83.2 13.5 -25.0 -27.5 3.1 86 105 A L < - 0 0 15 -3,-1.5 -61,-0.2 1,-0.2 3,-0.1 -0.723 40.7-177.4 -79.7 120.6 -22.4 -24.8 2.8 87 106 A Q - 0 0 62 -63,-2.5 2,-0.3 -2,-0.6 -62,-0.2 0.778 60.8 -3.1 -90.8 -28.0 -19.6 -25.6 5.4 88 107 A M E -c 25 0A 23 -64,-0.5 -62,-2.5 27,-0.1 2,-0.5 -0.918 52.2-145.6-169.6 132.9 -17.3 -22.6 4.9 89 108 A V E -ce 26 117A 0 27,-2.3 29,-2.4 -2,-0.3 2,-0.8 -0.914 16.5-147.7-103.2 127.9 -16.8 -19.5 2.8 90 109 A F E -ce 27 118A 0 -64,-2.9 -62,-2.2 -2,-0.5 2,-0.9 -0.865 11.1-157.4 -95.4 112.3 -13.2 -18.5 2.0 91 110 A L E -ce 28 119A 0 27,-1.8 29,-2.8 -2,-0.8 2,-0.5 -0.797 7.0-156.7 -93.8 103.5 -13.1 -14.7 1.8 92 111 A L E +ce 29 120A 0 -64,-2.5 -62,-0.6 -2,-0.9 2,-0.4 -0.661 14.8 178.0 -82.7 123.7 -10.1 -13.7 -0.3 93 112 A V E - e 0 121A 0 27,-2.7 29,-1.9 -2,-0.5 2,-0.3 -0.988 38.8-100.0-129.9 139.8 -8.8 -10.2 0.3 94 113 A D E > - e 0 122A 24 -2,-0.4 3,-1.1 27,-0.2 29,-0.1 -0.376 25.7-156.4 -61.6 117.0 -5.7 -8.5 -1.3 95 114 A G T 3 S+ 0 0 1 27,-2.1 -1,-0.2 -2,-0.3 28,-0.1 0.588 84.8 71.3 -70.3 -9.3 -2.9 -8.8 1.1 96 115 A R T 3 S+ 0 0 80 26,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.647 104.5 31.4 -83.6 -16.4 -1.1 -5.8 -0.5 97 116 A I S < S- 0 0 61 -3,-1.1 3,-0.1 1,-0.1 42,-0.0 -0.865 95.6 -85.7-134.8 165.8 -3.6 -3.2 0.8 98 117 A P - 0 0 61 0, 0.0 -4,-0.1 0, 0.0 41,-0.1 -0.321 66.9 -72.0 -67.8 158.4 -5.8 -2.8 4.0 99 118 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 -0.142 54.2-121.5 -50.3 146.2 -9.2 -4.4 3.9 100 119 A Q >> - 0 0 60 1,-0.1 3,-2.0 -3,-0.1 4,-1.8 -0.684 16.7-114.9 -97.6 147.6 -11.8 -2.8 1.7 101 120 A D H 3> S+ 0 0 139 1,-0.3 4,-1.4 -2,-0.3 5,-0.1 0.858 120.4 51.9 -43.8 -42.4 -15.1 -1.3 2.8 102 121 A S H 3> S+ 0 0 34 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.757 104.7 56.4 -70.5 -25.9 -16.8 -4.0 0.7 103 122 A D H <> S+ 0 0 3 -3,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.900 107.4 47.6 -68.8 -43.2 -14.7 -6.7 2.4 104 123 A L H X S+ 0 0 30 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.792 108.5 56.4 -68.8 -27.9 -15.9 -5.7 5.8 105 124 A M H X S+ 0 0 101 -4,-1.4 4,-2.9 -5,-0.3 -1,-0.2 0.855 104.9 51.0 -71.7 -37.7 -19.5 -5.6 4.5 106 125 A M H X S+ 0 0 6 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.887 109.6 51.6 -61.5 -40.7 -19.2 -9.2 3.4 107 126 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.950 113.9 42.7 -62.4 -48.3 -17.9 -10.1 6.8 108 127 A E H X S+ 0 0 110 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.919 114.4 51.0 -63.2 -45.7 -20.9 -8.4 8.4 109 128 A W H X S+ 0 0 41 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.930 110.4 48.3 -59.6 -46.1 -23.3 -9.8 5.9 110 129 A M H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 -1,-0.2 0.821 108.3 56.8 -65.9 -31.0 -22.0 -13.4 6.5 111 130 A K H ><5S+ 0 0 98 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.923 101.0 54.6 -63.4 -47.0 -22.3 -12.9 10.2 112 131 A S H 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.776 112.6 44.6 -60.9 -25.1 -26.0 -12.0 10.1 113 132 A L T 3<5S- 0 0 54 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.293 111.4-120.6 -98.4 6.3 -26.7 -15.3 8.2 114 133 A N T < 5 + 0 0 146 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.799 54.0 164.3 54.1 31.3 -24.4 -17.4 10.6 115 134 A I < - 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