==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-MAY-13 4KJL . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.VAN DEN BEDEM,G.BHABHA,K.YANG,P.E.WRIGHT,J.S.FRASER . 161 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 16.1 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 0.6 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-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 . 14 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 16.1 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+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 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 PARALLEL BRIDGES PER LADDER . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 92 0, 0.0 91,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 139.9 21.4 -2.6 -11.1 2 2 A I E -a 92 0A 17 105,-0.5 107,-2.8 89,-0.2 108,-1.1 -0.890 360.0-177.1-112.0 132.8 18.1 -1.3 -12.5 3 3 A S E -ab 93 110A 0 89,-2.9 91,-3.0 -2,-0.4 2,-0.3 -0.956 16.0-143.2-125.3 146.7 15.0 -3.5 -13.2 4 4 A L E -ab 94 111A 9 106,-2.2 108,-2.2 -2,-0.4 2,-0.4 -0.827 13.1-168.2-100.4 146.0 11.7 -2.6 -14.8 5 5 A I E + b 0 112A 5 89,-2.1 2,-0.3 -2,-0.3 108,-0.2 -0.992 21.1 146.8-135.4 130.1 8.5 -4.2 -13.5 6 6 A A E - b 0 113A 6 106,-2.3 108,-2.0 -2,-0.4 2,-0.5 -0.993 41.2-132.5-157.1 155.4 5.2 -3.9 -15.5 7 7 A A E - b 0 114A 6 -2,-0.3 2,-0.4 106,-0.2 108,-0.2 -0.980 29.5-167.7-114.8 124.8 2.0 -5.7 -16.4 8 8 A L E - b 0 115A 13 106,-2.0 108,-3.3 -2,-0.5 6,-0.2 -0.934 7.7-164.8-118.5 130.8 1.1 -5.5 -20.1 9 9 A A B >> -H 13 0B 6 4,-2.8 3,-1.2 -2,-0.4 4,-0.6 -0.400 56.4 -37.8 -95.7-176.9 -2.1 -6.4 -21.9 10 10 A V G >4 S+ 0 0 51 108,-1.6 3,-1.7 106,-0.5 -1,-0.3 0.007 132.3 13.2 -37.3 137.9 -2.6 -6.9 -25.6 11 11 A D G 34 S- 0 0 133 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.760 130.3 -70.5 62.9 26.6 -0.5 -4.6 -27.8 12 12 A R G <4 S+ 0 0 85 -3,-1.2 114,-2.4 1,-0.2 -1,-0.3 0.654 79.9 168.3 64.5 22.0 1.6 -3.5 -24.8 13 13 A V E << +HI 9 125B 5 -3,-1.7 -4,-2.8 -4,-0.6 112,-0.2 -0.469 10.1 162.5 -65.6 127.3 -1.2 -1.5 -23.2 14 14 A I E + 0 0 19 110,-2.9 2,-0.3 1,-0.3 111,-0.2 0.520 55.9 14.5-120.1 -12.8 -0.4 -0.5 -19.6 15 15 A G E - I 0 124B 7 109,-1.4 108,-2.3 5,-0.1 109,-1.0 -0.999 42.5-167.9-161.9 162.2 -2.8 2.2 -18.8 16 16 A M B > S-J 19 0C 66 3,-2.2 3,-2.0 -2,-0.3 106,-0.1 -0.914 82.8 -10.9-155.1 124.3 -6.0 4.2 -19.6 17 17 A E T 3 S- 0 0 156 -2,-0.3 3,-0.1 1,-0.3 105,-0.0 0.780 127.8 -57.7 56.1 28.9 -7.1 7.6 -18.0 18 18 A N T 3 S+ 0 0 76 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.596 123.9 86.5 77.4 15.4 -4.3 7.1 -15.4 19 19 A A B < S-J 16 0C 57 -3,-2.0 -3,-2.2 32,-0.0 -1,-0.3 -0.675 88.4 -93.6-124.5-176.1 -5.6 3.8 -14.2 20 20 A M - 0 0 56 -5,-0.2 -5,-0.1 -2,-0.2 102,-0.1 -0.934 30.5-141.3-104.3 126.5 -5.1 0.2 -15.3 21 21 A P S S+ 0 0 45 0, 0.0 100,-0.2 0, 0.0 -6,-0.1 0.142 75.4 68.2 -82.2 21.0 -7.9 -0.9 -17.7 22 22 A W S S- 0 0 19 98,-0.1 -2,-0.1 96,-0.0 3,-0.1 -0.804 93.1 -89.7-123.1 170.0 -8.3 -4.5 -16.4 23 23 A P - 0 0 64 0, 0.0 127,-0.1 0, 0.0 126,-0.1 -0.552 59.0 -85.9 -74.1 148.1 -9.6 -5.9 -13.1 24 24 A P - 0 0 97 0, 0.0 125,-0.3 0, 0.0 3,-0.1 -0.309 38.2-149.6 -54.3 129.6 -7.0 -6.3 -10.4 25 25 A L > - 0 0 2 1,-0.1 4,-2.5 123,-0.1 3,-0.3 -0.937 3.7-160.5 -99.3 109.0 -5.3 -9.7 -10.7 26 26 A P H > S+ 0 0 72 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.815 89.9 57.3 -66.5 -25.3 -4.4 -10.7 -7.2 27 27 A A H > S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.892 110.4 45.5 -65.5 -38.4 -1.8 -13.2 -8.5 28 28 A D H > S+ 0 0 2 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.917 110.8 51.7 -68.4 -44.5 -0.1 -10.4 -10.3 29 29 A L H X S+ 0 0 46 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.888 109.7 50.6 -62.3 -35.8 -0.3 -8.0 -7.3 30 30 A A H X S+ 0 0 63 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.917 110.5 49.3 -65.9 -41.4 1.3 -10.7 -5.2 31 31 A W H X S+ 0 0 13 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.914 111.2 50.2 -61.5 -43.3 4.0 -11.1 -7.8 32 32 A F H X S+ 0 0 1 -4,-2.9 4,-1.0 2,-0.2 -2,-0.2 0.939 113.5 44.4 -61.1 -47.4 4.5 -7.3 -7.8 33 33 A K H >X S+ 0 0 100 -4,-2.5 4,-2.4 1,-0.2 3,-0.8 0.935 111.5 54.0 -63.2 -44.8 4.8 -7.2 -4.0 34 34 A R H 3< S+ 0 0 180 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.805 114.4 40.7 -55.8 -36.8 7.1 -10.2 -3.9 35 35 A N H 3< S+ 0 0 33 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.496 121.0 39.6 -99.7 -4.1 9.5 -8.6 -6.3 36 36 A T H X< S+ 0 0 0 -4,-1.0 3,-1.8 -3,-0.8 -2,-0.2 0.630 80.1 120.3-113.2 -20.3 9.5 -5.1 -5.0 37 37 A L T 3< S+ 0 0 67 -4,-2.4 21,-0.2 1,-0.3 20,-0.1 -0.125 85.6 5.2 -52.2 136.6 9.4 -5.5 -1.2 38 38 A N T 3 S+ 0 0 149 19,-2.5 -1,-0.3 1,-0.2 20,-0.2 0.645 110.4 103.7 63.1 18.3 12.3 -3.9 0.7 39 39 A K S < S- 0 0 44 -3,-1.8 20,-0.7 18,-0.2 -1,-0.2 -0.858 80.3-100.0-117.6 158.4 13.7 -2.4 -2.5 40 40 A P E -c 59 0A 7 0, 0.0 53,-2.4 0, 0.0 2,-0.4 -0.571 35.4-154.4 -72.1 145.2 13.6 1.2 -3.6 41 41 A V E -cd 60 93A 0 18,-2.9 20,-2.8 -2,-0.2 2,-0.5 -0.971 4.0-159.0-118.9 138.4 10.9 1.9 -6.2 42 42 A I E +cd 61 94A 4 51,-2.2 53,-2.5 -2,-0.4 2,-0.3 -0.971 20.5 165.1-115.1 129.5 11.0 4.8 -8.7 43 43 A M E -c 62 0A 1 18,-2.4 20,-2.4 -2,-0.5 54,-0.3 -0.985 35.0-109.7-142.8 152.6 7.8 6.0 -10.3 44 44 A G E > -c 63 0A 9 52,-2.2 4,-2.3 -2,-0.3 3,-0.4 -0.348 39.0-104.9 -74.8 163.7 6.7 9.0 -12.3 45 45 A R H > S+ 0 0 84 18,-1.2 4,-2.5 1,-0.2 5,-0.2 0.869 118.5 54.5 -59.8 -38.2 4.3 11.6 -10.8 46 46 A H H > S+ 0 0 82 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.886 109.4 47.7 -67.9 -33.6 1.2 10.3 -12.7 47 47 A T H > S+ 0 0 17 -3,-0.4 4,-2.2 2,-0.2 5,-0.3 0.907 109.3 54.2 -70.4 -38.9 1.8 6.8 -11.4 48 48 A W H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.924 107.9 49.8 -57.0 -44.6 2.2 8.2 -7.9 49 49 A E H < S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.810 110.7 51.3 -67.6 -23.9 -1.1 9.9 -8.2 50 50 A S H < S+ 0 0 50 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.851 110.9 45.1 -80.1 -34.7 -2.7 6.7 -9.4 51 51 A I H < S- 0 0 16 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.908 92.0-159.8 -75.3 -42.5 -1.4 4.5 -6.6 52 52 A G < + 0 0 44 -4,-2.3 -3,-0.1 -5,-0.3 -4,-0.1 0.460 57.6 40.2 84.3 6.0 -2.5 7.2 -4.2 53 53 A R S S- 0 0 169 -5,-0.2 -2,-0.0 3,-0.0 -3,-0.0 -0.942 94.4 -77.3-173.1 154.7 -0.4 6.3 -1.1 54 54 A P - 0 0 35 0, 0.0 5,-0.1 0, 0.0 19,-0.0 -0.232 45.7-115.9 -57.9 155.2 3.2 5.1 -0.3 55 55 A L > - 0 0 4 3,-0.1 3,-1.1 -14,-0.1 -14,-0.1 -0.875 36.1-120.9 -95.2 111.4 3.9 1.4 -0.9 56 56 A P T 3 S+ 0 0 95 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.137 91.0 20.5 -52.2 139.8 4.7 -0.1 2.6 57 57 A G T 3 S+ 0 0 50 1,-0.2 -19,-2.5 -20,-0.1 2,-0.3 0.616 108.1 90.5 81.9 12.3 8.1 -1.7 3.0 58 58 A R S < S- 0 0 19 -3,-1.1 2,-0.8 -20,-0.2 -1,-0.2 -0.982 80.5-115.1-138.8 147.3 9.7 0.2 0.1 59 59 A K E -c 40 0A 104 -20,-0.7 -18,-2.9 -2,-0.3 2,-0.6 -0.782 37.4-148.3 -80.6 112.2 11.6 3.4 -0.4 60 60 A N E -c 41 0A 12 -2,-0.8 14,-2.3 12,-0.2 2,-0.5 -0.757 17.0-175.5 -90.6 119.5 9.3 5.4 -2.6 61 61 A I E -ce 42 74A 0 -20,-2.8 -18,-2.4 -2,-0.6 2,-0.4 -0.971 6.1-162.1-118.1 123.6 11.0 7.8 -5.0 62 62 A I E -ce 43 75A 0 12,-3.2 14,-2.6 -2,-0.5 2,-0.5 -0.892 8.9-144.4-109.6 131.4 8.9 10.1 -7.2 63 63 A L E +ce 44 76A 28 -20,-2.4 -18,-1.2 -2,-0.4 2,-0.3 -0.833 35.4 145.2 -90.4 128.7 10.1 11.9 -10.3 64 64 A S - 0 0 16 12,-2.3 4,-0.1 -2,-0.5 -2,-0.0 -0.964 49.5-139.9-155.2 149.3 8.7 15.3 -11.0 65 65 A S S S+ 0 0 112 -2,-0.3 12,-0.1 2,-0.1 3,-0.0 0.560 90.7 66.6 -80.5 -10.1 10.0 18.5 -12.5 66 66 A Q S S- 0 0 126 10,-0.1 -2,-0.0 1,-0.1 10,-0.0 -0.704 101.5 -82.1-109.1 159.9 8.1 20.4 -9.7 67 67 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.294 57.5 -97.0 -59.3 147.3 8.7 20.5 -5.9 68 68 A G - 0 0 33 7,-0.1 3,-0.1 1,-0.1 7,-0.0 -0.157 23.1-158.8 -67.0 161.3 7.1 17.6 -4.0 69 69 A T S S+ 0 0 120 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.063 75.0 51.7-130.0 18.8 3.8 17.7 -2.3 70 70 A D > - 0 0 34 3,-0.2 3,-1.0 1,-0.0 -1,-0.2 -0.824 58.1-160.4-164.6 111.0 4.1 14.9 0.3 71 71 A D T 3 S+ 0 0 163 -2,-0.3 4,-0.0 1,-0.2 -3,-0.0 0.406 81.0 82.8 -82.5 3.4 7.0 14.5 2.7 72 72 A R T 3 S+ 0 0 161 2,-0.0 2,-0.2 -18,-0.0 -1,-0.2 0.735 99.6 34.0 -76.4 -22.9 6.3 10.8 3.3 73 73 A V S < S- 0 0 13 -3,-1.0 2,-0.4 -14,-0.1 -12,-0.2 -0.765 92.9 -97.2-126.6 172.1 8.2 9.9 0.1 74 74 A T E -e 61 0A 56 -14,-2.3 -12,-3.2 -2,-0.2 2,-0.4 -0.757 29.9-159.1 -96.7 136.7 11.2 11.3 -1.7 75 75 A W E +e 62 0A 40 -2,-0.4 2,-0.2 -14,-0.2 -12,-0.2 -0.961 14.5 177.4-118.6 130.4 10.8 13.7 -4.7 76 76 A V E -e 63 0A 5 -14,-2.6 -12,-2.3 -2,-0.4 -10,-0.1 -0.798 29.9-139.1-132.0 171.9 13.6 14.2 -7.3 77 77 A K S S+ 0 0 136 -2,-0.2 2,-0.3 -14,-0.2 -14,-0.1 0.335 75.4 16.9-118.9 4.1 14.2 16.2 -10.5 78 78 A S S > S- 0 0 62 1,-0.1 4,-2.2 -14,-0.0 5,-0.1 -0.986 73.9-102.5-165.8 169.9 16.0 13.8 -12.8 79 79 A V H > S+ 0 0 27 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.926 119.8 53.2 -67.1 -45.7 17.0 10.2 -13.6 80 80 A D H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 112.1 45.8 -53.6 -43.3 20.5 10.8 -12.3 81 81 A E H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 109.6 54.1 -71.8 -39.5 19.0 12.1 -9.0 82 82 A A H X S+ 0 0 2 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.954 110.2 46.3 -57.6 -50.7 16.5 9.2 -8.8 83 83 A I H >< S+ 0 0 43 -4,-2.4 3,-1.2 1,-0.2 4,-0.4 0.936 113.2 48.2 -60.4 -50.1 19.1 6.5 -9.1 84 84 A A H >< S+ 0 0 68 -4,-2.0 3,-2.3 1,-0.3 -1,-0.2 0.891 103.3 61.6 -58.9 -41.3 21.5 8.1 -6.6 85 85 A A H 3< S+ 0 0 28 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.748 94.5 65.0 -60.0 -23.4 18.7 8.7 -4.0 86 86 A C T << S- 0 0 7 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.696 96.9-153.4 -68.7 -20.8 18.3 4.9 -4.0 87 87 A G < - 0 0 46 -3,-2.3 2,-1.6 -4,-0.4 -1,-0.2 -0.212 45.6 -30.5 72.6-168.8 21.8 4.5 -2.5 88 88 A D S S+ 0 0 173 2,-0.0 -1,-0.1 3,-0.0 -4,-0.1 -0.616 85.7 147.7 -89.0 82.6 24.0 1.5 -2.8 89 89 A V - 0 0 48 -2,-1.6 3,-0.2 1,-0.1 -50,-0.1 -0.788 56.3-118.6-114.0 161.7 21.4 -1.3 -3.1 90 90 A P S S+ 0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.762 95.3 11.8 -64.9 -32.6 21.4 -4.7 -5.0 91 91 A E - 0 0 26 2,-0.0 2,-0.5 -88,-0.0 -89,-0.2 -0.898 59.6-156.3-160.5 119.8 18.4 -3.9 -7.2 92 92 A I E -a 2 0A 9 -91,-3.1 -89,-2.9 -2,-0.3 2,-0.6 -0.831 19.1-146.3 -98.4 129.8 16.4 -0.7 -8.0 93 93 A M E -ad 3 41A 0 -53,-2.4 -51,-2.2 -2,-0.5 2,-0.6 -0.879 4.3-157.1-103.5 123.8 12.8 -1.3 -9.2 94 94 A V E -ad 4 42A 0 -91,-3.0 -89,-2.1 -2,-0.6 -51,-0.2 -0.872 9.7-176.5 -98.0 118.7 11.3 1.0 -11.7 95 95 A I - 0 0 1 -53,-2.5 -52,-0.1 -2,-0.6 -1,-0.1 -0.001 33.4-170.7-113.4 27.2 7.5 0.8 -11.5 96 96 A G - 0 0 0 -54,-0.3 -52,-2.2 1,-0.2 -1,-0.3 -0.243 45.7-142.4 96.4-173.7 6.4 3.1 -14.3 97 97 A G > - 0 0 14 -54,-0.3 4,-3.2 -50,-0.1 5,-0.2 0.322 54.8 -90.9 -92.6-143.1 4.6 4.7 -16.0 98 98 A G H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.888 123.7 44.8 -54.8 -47.9 5.1 4.8 -19.7 99 99 A R H > S+ 0 0 187 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.878 116.0 47.3 -69.5 -35.2 7.3 7.9 -19.8 100 100 A V H > S+ 0 0 24 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.932 109.5 53.3 -70.7 -45.0 9.4 6.7 -16.9 101 101 A Y H X S+ 0 0 12 -4,-3.2 4,-1.8 1,-0.2 3,-0.5 0.905 107.2 52.6 -55.1 -42.7 9.8 3.2 -18.4 102 102 A E H < S+ 0 0 129 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.878 109.5 48.6 -62.8 -36.5 11.0 4.6 -21.7 103 103 A Q H < S+ 0 0 120 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.680 117.6 39.5 -79.7 -19.6 13.8 6.7 -19.9 104 104 A F H >X S+ 0 0 7 -4,-1.3 3,-1.9 -3,-0.5 4,-1.0 0.597 91.0 87.1-103.7 -15.8 15.1 3.8 -17.8 105 105 A L G >< S+ 0 0 26 -4,-1.8 3,-1.1 1,-0.3 -2,-0.1 0.901 86.8 53.8 -51.4 -46.7 14.9 1.0 -20.4 106 106 A P G 34 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.582 114.7 42.8 -66.4 -10.1 18.4 1.8 -21.8 107 107 A K G <4 S+ 0 0 88 -3,-1.9 -105,-0.5 -106,-0.0 2,-0.3 0.487 93.3 106.1-104.6 -12.3 19.8 1.5 -18.3 108 108 A A << - 0 0 0 -3,-1.1 -105,-0.2 -4,-1.0 3,-0.1 -0.529 42.3-175.6 -85.1 137.1 17.8 -1.6 -17.2 109 109 A Q S S+ 0 0 78 -107,-2.8 50,-2.5 -2,-0.3 2,-0.3 0.575 70.9 34.5-100.5 -15.8 19.4 -5.1 -16.9 110 110 A K E -bF 3 158A 57 -108,-1.1 -106,-2.2 48,-0.2 2,-0.4 -0.999 60.4-153.5-143.7 147.5 16.2 -7.1 -16.1 111 111 A L E -bF 4 157A 6 46,-3.0 46,-2.1 -2,-0.3 2,-0.6 -0.969 1.8-167.0-118.2 131.6 12.5 -7.1 -17.0 112 112 A Y E +bF 5 156A 25 -108,-2.2 -106,-2.3 -2,-0.4 2,-0.4 -0.913 26.6 176.3-111.5 99.5 9.8 -8.5 -14.8 113 113 A L E -bF 6 155A 11 42,-2.7 42,-3.1 -2,-0.6 2,-0.6 -0.864 25.2-161.0-112.5 138.6 6.8 -8.6 -17.1 114 114 A T E -bF 7 154A 10 -108,-2.0 -106,-2.0 -2,-0.4 2,-0.4 -0.922 15.9-149.8-115.2 105.0 3.3 -9.9 -16.6 115 115 A H E -bF 8 153A 85 38,-2.3 38,-2.0 -2,-0.6 2,-0.5 -0.590 13.2-155.3 -73.3 126.2 1.6 -10.6 -19.9 116 116 A I E - F 0 152A 9 -108,-3.3 2,-2.1 -2,-0.4 -106,-0.5 -0.924 14.2-141.1-110.9 124.6 -2.2 -10.1 -19.5 117 117 A D + 0 0 93 34,-2.6 2,-0.4 -2,-0.5 34,-0.3 -0.493 60.3 123.7 -81.5 71.8 -4.6 -11.9 -21.8 118 118 A A - 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