==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-APR-10 2XB4 . COMPND 2 MOLECULE: ADENYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR A.MUKHOPADHYAY,A.V.KLADOVA,O.Y.GAVEL,J.J.CALVETE,V.L.SHNYROV . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.6 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 1 2 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 73 0, 0.0 79,-0.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.2 25.1 31.3 24.7 2 2 A N E -a 80 0A 21 77,-0.2 105,-2.4 103,-0.2 106,-1.7 -0.933 360.0-179.0-117.1 126.0 24.0 27.9 25.7 3 3 A I E -ab 81 108A 0 77,-2.8 79,-2.9 -2,-0.4 2,-0.4 -0.985 18.7-158.7-129.9 137.8 21.0 26.2 24.0 4 4 A L E -ab 82 109A 1 104,-1.6 106,-2.8 -2,-0.3 2,-0.4 -0.929 19.8-160.2-105.1 135.8 19.1 22.8 24.5 5 5 A I E -ab 83 110A 5 77,-2.2 79,-0.8 -2,-0.4 2,-0.4 -0.982 8.5-173.7-120.3 135.9 17.1 21.7 21.4 6 6 A F E + b 0 111A 8 104,-3.1 106,-2.8 -2,-0.4 77,-0.0 -0.981 19.0 132.8-121.2 142.2 14.3 19.1 21.4 7 7 A G - 0 0 8 -2,-0.4 106,-0.1 104,-0.2 3,-0.1 -0.910 44.9-108.7-176.1 157.4 12.3 17.6 18.5 8 8 A P > - 0 0 3 0, 0.0 3,-1.5 0, 0.0 5,-0.4 -0.347 50.1 -82.1 -80.0 164.6 11.1 14.2 17.2 9 9 A N T 3 S+ 0 0 76 1,-0.2 114,-0.2 161,-0.1 168,-0.0 -0.431 121.1 40.1 -56.4 137.7 12.4 12.3 14.2 10 10 A G T 3 S+ 0 0 9 112,-0.1 -1,-0.2 -3,-0.1 112,-0.1 0.374 89.1 97.8 99.7 -3.7 10.7 13.9 11.1 11 11 A S S < S- 0 0 8 -3,-1.5 -2,-0.1 101,-0.1 102,-0.0 0.405 92.5-116.3-101.6 -0.1 10.9 17.5 12.4 12 12 A G > + 0 0 40 -4,-0.1 4,-1.9 3,-0.1 5,-0.2 0.752 61.6 152.0 74.0 21.7 14.0 18.8 10.6 13 13 A K H > + 0 0 37 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.807 64.6 50.2 -59.2 -41.6 15.8 19.2 13.9 14 14 A G H > S+ 0 0 46 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.919 109.8 51.6 -65.6 -44.1 19.4 18.7 12.6 15 15 A T H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.920 113.2 43.6 -56.3 -48.5 18.9 21.2 9.9 16 16 A Q H X S+ 0 0 6 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.901 113.3 51.1 -67.1 -42.8 17.6 23.9 12.3 17 17 A G H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.911 107.8 53.0 -60.5 -45.2 20.3 23.2 14.9 18 18 A N H X S+ 0 0 76 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.910 107.9 51.5 -54.9 -43.5 23.0 23.5 12.2 19 19 A L H X S+ 0 0 53 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.926 112.5 45.6 -61.4 -39.2 21.7 26.9 11.2 20 20 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 6,-0.2 0.944 111.7 51.0 -72.5 -43.3 21.7 28.1 14.8 21 21 A K H X>S+ 0 0 49 -4,-3.0 5,-2.0 1,-0.2 4,-0.7 0.853 112.1 47.1 -65.6 -35.7 25.2 26.8 15.5 22 22 A D H <5S+ 0 0 96 -4,-2.0 3,-0.4 -5,-0.2 -1,-0.2 0.908 112.7 49.1 -67.4 -47.0 26.7 28.5 12.4 23 23 A K H <5S+ 0 0 120 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.895 123.2 31.0 -62.4 -40.2 25.0 31.8 13.1 24 24 A Y H <5S- 0 0 56 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.372 104.2-120.5-106.4 8.0 26.1 31.9 16.8 25 25 A S T <5 + 0 0 100 -4,-0.7 -3,-0.2 -3,-0.4 2,-0.2 0.893 56.4 163.5 55.3 45.3 29.5 30.0 16.4 26 26 A L < - 0 0 10 -5,-2.0 2,-0.6 -6,-0.2 54,-0.2 -0.563 45.7-112.8 -91.7 153.2 28.3 27.4 18.9 27 27 A A E -c 80 0A 26 52,-2.5 54,-2.9 -2,-0.2 2,-0.9 -0.790 29.9-137.9 -76.9 128.8 29.7 23.9 19.5 28 28 A H E -c 81 0A 72 -2,-0.6 2,-0.6 52,-0.2 54,-0.2 -0.787 23.5-168.2 -91.5 109.5 27.1 21.5 18.3 29 29 A I E -c 82 0A 10 52,-2.9 54,-2.6 -2,-0.9 2,-0.4 -0.830 6.0-176.8-105.5 113.9 27.1 18.7 21.0 30 30 A E E >> -c 83 0A 75 -2,-0.6 4,-2.0 52,-0.2 3,-0.6 -0.845 35.4-120.1-120.2 145.8 25.2 15.5 20.2 31 31 A S H 3> S+ 0 0 31 52,-1.4 4,-1.4 -2,-0.4 -1,-0.1 0.850 110.9 55.3 -56.1 -38.2 24.8 12.7 22.5 32 32 A G H 3> S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.922 106.6 49.7 -59.7 -44.5 26.5 10.2 20.2 33 33 A G H <> S+ 0 0 22 -3,-0.6 4,-2.3 1,-0.2 5,-0.2 0.848 101.7 63.1 -65.3 -33.1 29.7 12.3 19.9 34 34 A I H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.967 105.6 46.7 -54.3 -51.9 29.9 12.7 23.7 35 35 A F H X>S+ 0 0 74 -4,-1.4 4,-3.1 1,-0.2 5,-1.0 0.944 109.4 52.6 -60.0 -47.3 30.4 8.8 23.9 36 36 A R H <>S+ 0 0 175 -4,-1.8 5,-0.9 1,-0.2 -1,-0.2 0.899 110.6 48.6 -55.9 -42.8 33.0 8.7 21.1 37 37 A E H <5S+ 0 0 51 -4,-2.3 4,-0.3 3,-0.2 -1,-0.2 0.902 126.9 26.0 -56.7 -46.5 35.0 11.4 23.0 38 38 A H H X>S+ 0 0 0 -4,-2.3 5,-1.6 -5,-0.2 4,-0.7 0.925 129.6 37.0 -91.0 -48.3 34.8 9.6 26.3 39 39 A I T ><5S+ 0 0 32 -4,-3.1 3,-0.7 -5,-0.3 -3,-0.2 0.978 127.6 38.1 -68.2 -52.8 34.3 5.8 25.5 40 40 A G T 34< - 0 0 39 -5,-1.6 4,-2.3 -6,-0.2 5,-0.2 -0.323 52.1-101.8 -64.9 165.9 38.6 9.2 29.8 44 44 A E H > S+ 0 0 136 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.935 128.4 45.9 -61.8 -38.8 38.2 7.9 33.3 45 45 A L H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.916 111.0 53.7 -68.0 -42.1 34.4 8.3 32.9 46 46 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.819 106.5 50.6 -60.7 -37.7 34.6 6.6 29.5 47 47 A K H X S+ 0 0 104 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.911 112.8 47.7 -70.6 -30.4 36.4 3.5 30.8 48 48 A K H >X S+ 0 0 79 -4,-1.6 4,-0.8 1,-0.2 3,-0.6 0.915 111.7 48.5 -70.8 -46.6 33.8 3.2 33.4 49 49 A A H >X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.8 0.868 104.5 61.4 -57.3 -43.0 30.9 3.6 30.9 50 50 A K H 3X S+ 0 0 87 -4,-2.0 4,-2.6 1,-0.3 -1,-0.2 0.797 93.0 62.9 -68.0 -26.1 32.5 1.0 28.5 51 51 A E H << S+ 0 0 124 -4,-1.0 4,-0.3 -3,-0.6 -1,-0.3 0.853 109.0 42.8 -64.6 -37.0 32.2 -1.8 31.1 52 52 A F H X<>S+ 0 0 55 -4,-0.8 5,-2.7 -3,-0.8 3,-1.6 0.945 113.7 49.2 -67.3 -50.3 28.4 -1.3 31.0 53 53 A I H ><5S+ 0 0 64 -4,-2.1 3,-2.0 1,-0.3 -2,-0.2 0.908 106.0 58.6 -57.1 -41.5 28.1 -1.0 27.2 54 54 A D T 3<5S+ 0 0 110 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.561 107.4 46.1 -69.5 -9.5 30.3 -4.2 26.8 55 55 A R T < 5S- 0 0 147 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.286 122.8-106.2 -99.1 -6.0 27.8 -6.3 28.9 56 56 A G T < 5S+ 0 0 67 -3,-2.0 2,-0.2 -4,-0.4 -3,-0.2 0.687 80.9 128.1 77.7 17.1 24.9 -4.8 26.9 57 57 A D < - 0 0 85 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.708 62.4-107.3 -97.7 160.3 23.7 -2.6 29.8 58 58 A L - 0 0 158 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.469 37.4-100.3 -73.6 159.3 23.1 1.1 29.5 59 59 A V - 0 0 14 -2,-0.1 -1,-0.1 -7,-0.1 -10,-0.1 -0.611 45.6-113.1 -76.1 134.5 25.5 3.6 31.1 60 60 A P >> - 0 0 40 0, 0.0 4,-2.4 0, 0.0 3,-2.3 -0.386 19.9-115.4 -67.9 153.7 24.0 4.8 34.4 61 61 A D H 3> S+ 0 0 37 1,-0.3 4,-2.5 2,-0.2 -2,-0.0 0.811 113.5 66.0 -58.8 -29.2 22.9 8.5 34.7 62 62 A D H 34 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.545 112.8 32.5 -73.4 -4.6 25.6 9.1 37.4 63 63 A I H <> S+ 0 0 12 -3,-2.3 4,-1.9 3,-0.1 -2,-0.2 0.687 118.2 51.8-110.3 -41.3 28.2 8.4 34.8 64 64 A T H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.921 106.9 52.9 -62.2 -43.7 26.4 9.8 31.7 65 65 A I H X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.966 109.9 47.7 -65.0 -48.9 25.6 13.3 33.3 66 66 A P H > S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.881 111.2 53.4 -58.6 -35.8 29.3 13.9 34.3 67 67 A M H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.925 108.5 48.1 -56.8 -50.6 30.3 12.9 30.8 68 68 A V H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.942 112.7 48.5 -56.3 -49.0 28.0 15.4 29.3 69 69 A L H X S+ 0 0 6 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.885 108.8 53.6 -62.9 -37.1 29.2 18.2 31.6 70 70 A E H X S+ 0 0 87 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.862 111.0 46.6 -62.6 -40.0 32.9 17.3 30.9 71 71 A T H X>S+ 0 0 4 -4,-1.9 4,-3.1 2,-0.2 5,-1.0 0.905 110.4 52.0 -66.8 -42.5 32.2 17.7 27.1 72 72 A L H X5S+ 0 0 2 -4,-2.6 4,-0.6 1,-0.2 7,-0.2 0.893 112.9 46.1 -59.8 -39.6 30.3 20.9 27.6 73 73 A E H <5S+ 0 0 87 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.821 121.7 37.0 -67.4 -36.7 33.2 22.3 29.6 74 74 A S H <5S+ 0 0 59 -4,-1.4 3,-0.3 -5,-0.2 -2,-0.2 0.928 132.5 20.3 -87.8 -56.2 35.8 21.2 27.1 75 75 A K H <5S+ 0 0 117 -4,-3.1 3,-0.3 1,-0.2 -3,-0.2 0.702 124.9 53.0 -89.0 -23.2 34.1 21.6 23.6 76 76 A G ><< + 0 0 3 -5,-1.0 3,-2.3 -4,-0.6 -1,-0.2 0.185 63.6 117.9-105.4 20.0 31.5 24.2 24.6 77 77 A K T 3 S+ 0 0 166 -3,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.782 84.0 43.5 -60.7 -25.0 33.5 26.9 26.3 78 78 A D T 3 S- 0 0 139 1,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.098 136.7 -56.8-104.5 21.4 32.5 29.5 23.7 79 79 A G < - 0 0 3 -3,-2.3 -52,-2.5 -7,-0.2 -1,-0.4 -0.075 57.4-143.3 122.7 142.3 28.8 28.4 23.7 80 80 A W E -ac 2 27A 2 -79,-0.9 -77,-2.8 -54,-0.2 2,-0.5 -0.978 13.8-151.8-138.5 159.0 27.1 25.1 23.0 81 81 A L E -ac 3 28A 0 -54,-2.9 -52,-2.9 -2,-0.3 2,-0.5 -0.982 22.0-156.8-123.6 111.7 24.0 23.6 21.4 82 82 A L E -ac 4 29A 1 -79,-2.9 -77,-2.2 -2,-0.5 2,-0.4 -0.846 15.5-178.3 -98.1 122.1 23.1 20.3 23.1 83 83 A D E +ac 5 30A 12 -54,-2.6 -52,-1.4 -2,-0.5 -77,-0.1 -0.979 57.8 12.6-131.2 120.9 21.0 18.0 20.9 84 84 A G S S+ 0 0 29 -79,-0.8 -1,-0.1 -2,-0.4 -54,-0.1 0.347 94.5 116.0 102.9 -4.5 19.6 14.6 21.7 85 85 A F + 0 0 16 -80,-0.2 -80,-0.2 1,-0.1 2,-0.1 -0.981 53.2 41.2-140.8 134.5 20.1 14.6 25.5 86 86 A P + 0 0 1 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.460 58.7 170.6 -84.9 161.1 18.1 14.5 27.8 87 87 A R + 0 0 115 -2,-0.1 2,-0.3 1,-0.1 100,-0.2 0.556 63.4 26.9-108.8 -15.0 15.6 12.0 26.7 88 88 A N S > S- 0 0 56 96,-0.1 4,-2.1 98,-0.1 95,-0.2 -0.902 84.5-100.8-142.0 175.3 13.5 11.5 29.9 89 89 A T H > S+ 0 0 37 93,-1.5 4,-2.5 -2,-0.3 5,-0.3 0.839 115.8 54.8 -71.2 -38.1 12.6 13.4 33.0 90 90 A V H > S+ 0 0 75 92,-0.3 4,-2.4 1,-0.2 5,-0.2 0.948 113.6 43.5 -61.4 -47.4 15.1 11.7 35.4 91 91 A Q H > S+ 0 0 28 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.883 112.1 54.1 -61.5 -40.7 18.0 12.7 33.0 92 92 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.878 112.0 42.4 -63.9 -42.6 16.5 16.2 32.5 93 93 A Q H X S+ 0 0 90 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.904 114.7 50.3 -71.5 -41.6 16.4 16.9 36.3 94 94 A K H X S+ 0 0 86 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.931 112.4 49.7 -61.2 -39.2 19.9 15.3 36.9 95 95 A L H X S+ 0 0 1 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.938 109.2 50.0 -64.3 -48.2 21.3 17.5 34.0 96 96 A F H X S+ 0 0 22 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.940 112.7 46.8 -55.2 -45.1 19.7 20.7 35.4 97 97 A E H X S+ 0 0 97 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.908 112.6 50.6 -67.2 -34.7 21.2 20.0 38.9 98 98 A A H X S+ 0 0 23 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.2 0.875 109.9 49.3 -70.1 -40.7 24.7 19.2 37.4 99 99 A L H <>S+ 0 0 2 -4,-2.6 5,-2.4 2,-0.2 3,-0.5 0.929 111.4 49.5 -63.2 -44.2 24.6 22.4 35.3 100 100 A Q H ><5S+ 0 0 105 -4,-2.5 3,-1.4 -5,-0.2 -2,-0.2 0.923 106.2 56.1 -59.3 -43.4 23.7 24.5 38.4 101 101 A E H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.792 113.4 41.7 -61.5 -26.3 26.6 22.8 40.5 102 102 A K T 3<5S- 0 0 123 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.344 112.3-118.7-103.8 3.2 29.1 24.0 37.7 103 103 A G T < 5 + 0 0 58 -3,-1.4 2,-0.6 -4,-0.4 -3,-0.2 0.779 61.0 150.6 69.3 27.5 27.5 27.5 37.3 104 104 A M < - 0 0 31 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.839 34.0-147.3 -99.0 120.9 26.7 26.8 33.7 105 105 A K - 0 0 132 -2,-0.6 2,-0.4 -3,-0.1 -103,-0.2 -0.676 7.1-137.7 -96.5 137.0 23.6 28.8 32.5 106 106 A I + 0 0 13 -2,-0.3 -103,-0.2 1,-0.1 3,-0.1 -0.752 20.6 178.1 -83.6 136.3 21.0 27.8 30.0 107 107 A N + 0 0 60 -105,-2.4 94,-2.0 -2,-0.4 2,-0.3 0.731 64.1 8.1-108.7 -36.4 20.0 30.8 27.8 108 108 A F E -bd 3 201A 30 -106,-1.7 -104,-1.6 92,-0.2 2,-0.5 -0.999 51.3-160.5-144.8 149.3 17.5 29.2 25.4 109 109 A V E -bd 4 202A 0 92,-2.4 94,-3.5 -2,-0.3 2,-0.5 -0.996 17.4-160.4-128.4 127.4 15.6 26.0 25.0 110 110 A I E -bd 5 203A 0 -106,-2.8 -104,-3.1 -2,-0.5 2,-0.5 -0.907 7.5-173.7-107.7 133.3 14.2 25.3 21.6 111 111 A E E -bd 6 204A 4 92,-2.9 94,-3.0 -2,-0.5 2,-0.6 -0.983 14.3-150.9-125.0 126.2 11.4 22.8 20.9 112 112 A I E - d 0 205A 2 -106,-2.8 2,-0.4 -2,-0.5 94,-0.2 -0.863 20.7-151.3 -93.4 124.1 10.2 21.9 17.4 113 113 A L E + d 0 206A 58 92,-3.1 94,-2.6 -2,-0.6 95,-0.3 -0.808 29.4 148.5-103.7 131.6 6.5 21.0 17.6 114 114 A L - 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0 0 51 -3,-0.9 7,-1.5 -4,-0.5 4,-1.2 -0.536 38.6-177.2 -71.4 107.1 5.7 10.2 26.2 180 180 A T T 4 S+ 0 0 88 -2,-0.7 -1,-0.2 5,-0.2 -2,-0.1 0.416 73.6 68.2 -91.9 2.8 4.5 13.2 28.3 181 181 A V T 4 S- 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.928 136.1 -32.8 -79.4 -58.5 4.6 11.1 31.6 182 182 A D T 4 S+ 0 0 84 -6,-0.1 -93,-1.5 -95,-0.1 -92,-0.3 0.232 111.7 100.7-150.9 19.7 8.4 10.8 31.7 183 183 A G S X S- 0 0 2 -4,-1.2 4,-2.1 -95,-0.2 -6,-0.2 0.086 92.3 -63.7 -96.7-150.4 9.7 10.7 28.1 184 184 A T H > S+ 0 0 10 -8,-1.9 4,-2.6 1,-0.2 -7,-0.2 0.893 131.9 50.1 -77.2 -37.8 11.2 13.5 26.0 185 185 A L H > S+ 0 0 13 -8,-2.5 4,-2.7 -9,-0.4 -1,-0.2 0.873 110.2 52.3 -58.0 -42.7 8.3 15.8 25.8 186 186 A A H > S+ 0 0 12 -7,-1.5 4,-1.7 -9,-0.2 -2,-0.2 0.901 110.7 49.8 -59.9 -38.0 7.9 15.5 29.6 187 187 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 -100,-0.2 -2,-0.2 0.931 110.5 47.9 -63.1 -48.9 11.7 16.5 29.7 188 188 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-0.2 0.924 112.4 50.4 -55.5 -45.4 11.2 19.5 27.4 189 189 A Y H X S+ 0 0 82 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.786 100.6 61.8 -66.9 -30.9 8.2 20.6 29.5 190 190 A Y H < S+ 0 0 60 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.920 110.4 42.0 -58.6 -40.3 10.2 20.4 32.7 191 191 A Y H >X S+ 0 0 0 -4,-1.6 3,-1.7 -3,-0.2 4,-1.0 0.945 111.9 53.6 -72.4 -48.0 12.4 23.1 31.2 192 192 A K H >< S+ 0 0 87 -4,-2.5 3,-0.7 1,-0.3 4,-0.5 0.883 105.9 55.4 -46.2 -48.5 9.5 25.1 29.8 193 193 A N T 3< S+ 0 0 138 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.569 114.9 36.0 -68.5 -12.2 7.9 25.2 33.3 194 194 A M T <> S+ 0 0 28 -3,-1.7 4,-2.8 -4,-0.4 -1,-0.2 0.333 86.1 101.6-117.7 -2.1 11.0 26.7 35.0 195 195 A A H S+ 0 0 8 -4,-1.0 5,-2.0 -3,-0.7 4,-1.3 0.928 84.6 46.2 -48.8 -49.9 12.2 29.0 32.2 196 196 A A H 45S+ 0 0 102 -4,-0.5 3,-0.4 1,-0.2 -1,-0.2 0.929 116.2 44.5 -64.3 -45.5 10.7 32.2 33.8 197 197 A K H 45S+ 0 0 177 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.865 118.1 44.4 -63.4 -37.3 12.1 31.4 37.3 198 198 A E H <5S- 0 0 47 -4,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.498 111.2-117.1 -96.2 -1.1 15.5 30.4 35.9 199 199 A G T <5S+ 0 0 65 -4,-1.3 2,-0.3 -3,-0.4 -3,-0.2 0.831 70.5 122.3 77.0 32.4 15.9 33.3 33.5 200 200 A F < - 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0 0 67 1,-0.1 4,-2.5 4,-0.0 5,-0.3 -0.217 37.7-107.3 -79.1 165.7 8.9 25.9 5.6 211 211 A I H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.946 124.3 43.7 -54.7 -46.0 12.7 25.5 6.2 212 212 A D H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 112.6 49.3 -61.5 -51.5 13.0 29.3 5.5 213 213 A S H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.924 113.1 46.3 -58.5 -48.2 10.0 30.4 7.6 214 214 A I H X S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.970 112.4 51.6 -56.8 -52.5 11.0 28.4 10.7 215 215 A K H X S+ 0 0 57 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.842 109.2 51.2 -52.8 -44.8 14.7 29.6 10.4 216 216 A D H X S+ 0 0 100 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.968 112.3 43.7 -55.9 -60.1 13.4 33.3 10.2 217 217 A T H X S+ 0 0 68 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.821 118.4 47.2 -52.9 -36.8 11.2 33.1 13.4 218 218 A L H X S+ 0 0 1 -4,-2.2 4,-1.1 -5,-0.2 5,-0.2 0.957 111.4 45.9 -73.5 -57.0 14.0 31.2 15.3 219 219 A L H X S+ 0 0 32 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.712 113.8 54.7 -59.5 -23.1 16.9 33.5 14.3 220 220 A A H < S+ 0 0 63 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.909 107.0 47.6 -74.7 -46.2 14.5 36.4 15.3 221 221 A Q H < S+ 0 0 77 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.609 116.5 43.6 -78.6 -7.7 13.8 35.1 18.8 222 222 A L H < 0 0 7 -4,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.675 360.0 360.0 -93.5 -30.9 17.5 34.4 19.6 223 223 A A < 0 0 122 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.1 0.752 360.0 360.0 -57.3 360.0 18.7 37.7 18.1