==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-NOV-01 1KBQ . COMPND 2 MOLECULE: NAD(P)H DEHYDROGENASE [QUINONE] 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.FAIG,M.A.BIANCHET,L.M.AMZEL . 1086 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 779 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 2.9 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.3 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 . 85 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 160 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 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 3 1 4 4 4 4 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 4 0 4 4 4 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 . 16 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 2 A G 0 0 52 0, 0.0 32,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-148.9 3.0 9.4 -0.1 2 3 A R - 0 0 129 30,-0.4 32,-2.3 92,-0.0 2,-0.4 -0.419 360.0 -53.8 93.5-171.1 3.3 13.1 0.6 3 4 A R E -a 34 0A 105 30,-0.2 91,-2.7 89,-0.2 92,-2.2 -0.895 45.8-169.3-112.2 136.6 6.3 15.4 0.5 4 5 A A E -ab 35 95A 1 30,-3.1 32,-3.5 -2,-0.4 2,-0.4 -0.958 7.9-163.3-126.3 141.6 9.6 14.9 2.4 5 6 A L E -ab 36 96A 1 90,-2.5 92,-2.8 -2,-0.4 2,-0.6 -0.986 8.7-159.4-119.8 130.0 12.6 17.2 2.9 6 7 A I E -ab 37 97A 1 30,-2.5 32,-2.3 -2,-0.4 2,-0.7 -0.935 1.5-162.3-114.7 112.5 15.9 15.7 4.0 7 8 A V E -ab 38 98A 0 90,-3.8 92,-2.8 -2,-0.6 2,-0.4 -0.844 11.3-168.9 -95.8 116.0 18.4 18.1 5.7 8 9 A L E -ab 39 99A 2 30,-1.9 32,-1.8 -2,-0.7 33,-0.4 -0.900 14.0-171.9-108.9 132.5 21.9 16.7 5.7 9 10 A A + 0 0 1 90,-2.4 2,-0.3 -2,-0.4 102,-0.1 -0.637 46.9 104.3-122.4 72.5 24.8 18.2 7.7 10 11 A H - 0 0 41 -2,-0.4 31,-0.3 90,-0.1 32,-0.2 -0.971 55.3-148.3-150.7 134.7 27.9 16.3 6.6 11 12 A S S S+ 0 0 39 -2,-0.3 2,-0.5 30,-0.1 -1,-0.1 0.712 76.7 72.1 -77.9 -19.7 30.8 17.3 4.3 12 13 A E > - 0 0 13 1,-0.1 3,-1.0 596,-0.1 6,-0.4 -0.836 55.8-161.5-106.6 131.7 31.7 13.9 2.9 13 14 A R T 3 S+ 0 0 130 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.574 97.1 63.0 -78.4 -7.8 29.6 11.9 0.4 14 15 A T T 3 S+ 0 0 68 594,-0.1 -1,-0.2 4,-0.1 -3,-0.0 0.446 84.6 105.1 -92.2 -3.3 31.7 8.9 1.6 15 16 A S S <> S- 0 0 12 -3,-1.0 4,-1.6 1,-0.1 5,-0.1 -0.266 82.5-120.0 -76.0 163.2 30.3 9.2 5.2 16 17 A F H > S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.799 115.2 63.1 -70.5 -27.4 27.7 6.9 6.7 17 18 A N H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 101.9 47.5 -63.0 -42.4 25.6 10.0 7.1 18 19 A Y H > S+ 0 0 65 -6,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.899 112.2 50.5 -65.3 -39.4 25.5 10.5 3.3 19 20 A A H X S+ 0 0 34 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.908 108.7 51.8 -64.1 -39.9 24.5 6.8 3.0 20 21 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.871 110.3 49.5 -63.5 -36.4 21.8 7.3 5.6 21 22 A K H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.919 112.6 46.6 -67.9 -44.8 20.5 10.3 3.6 22 23 A E H X S+ 0 0 79 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.914 110.5 52.4 -63.8 -44.5 20.5 8.2 0.4 23 24 A A H X S+ 0 0 13 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.937 109.9 49.6 -56.7 -47.8 18.8 5.3 2.0 24 25 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.917 110.6 49.1 -56.5 -49.3 16.0 7.5 3.3 25 26 A A H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.913 114.0 46.4 -58.6 -45.9 15.5 9.1 -0.1 26 27 A A H X S+ 0 0 40 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.946 112.8 48.0 -63.6 -50.5 15.3 5.7 -1.8 27 28 A A H X S+ 0 0 2 -4,-3.0 4,-0.8 -5,-0.2 -2,-0.2 0.926 116.0 45.4 -56.6 -45.7 12.9 4.2 0.8 28 29 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 3,-0.7 0.902 111.7 48.3 -66.1 -46.7 10.6 7.2 0.7 29 30 A K H ><5S+ 0 0 118 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.880 107.2 59.9 -61.7 -36.6 10.5 7.6 -3.2 30 31 A K H 3<5S+ 0 0 133 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.777 104.0 49.1 -61.2 -31.1 9.7 3.9 -3.3 31 32 A K T <<5S- 0 0 99 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.249 130.9 -95.6 -93.5 11.4 6.6 4.4 -1.2 32 33 A G T < 5S+ 0 0 54 -3,-1.9 -30,-0.4 1,-0.3 -3,-0.2 0.616 75.3 145.7 88.2 13.0 5.6 7.2 -3.5 33 34 A W < - 0 0 19 -5,-2.6 2,-0.6 -32,-0.3 -1,-0.3 -0.516 50.2-128.2 -81.7 152.9 6.9 10.2 -1.6 34 35 A E E -a 3 0A 88 -32,-2.3 -30,-3.1 -2,-0.2 2,-0.5 -0.889 32.3-156.5 -95.4 126.2 8.3 13.3 -3.4 35 36 A V E -a 4 0A 18 -2,-0.6 2,-0.3 -32,-0.2 -30,-0.2 -0.940 15.2-178.4-118.0 121.3 11.7 13.8 -1.8 36 37 A V E -a 5 0A 49 -32,-3.5 -30,-2.5 -2,-0.5 2,-0.3 -0.845 13.5-149.3-111.8 150.4 13.6 17.2 -1.7 37 38 A E E -a 6 0A 65 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.864 22.8-168.4-124.9 156.6 17.0 17.7 -0.2 38 39 A S E -a 7 0A 0 -32,-2.3 -30,-1.9 -2,-0.3 2,-1.3 -0.775 13.0-178.4-138.9 82.6 19.1 20.4 1.6 39 40 A D E > -a 8 0A 26 -2,-0.3 4,-2.6 -32,-0.2 5,-0.2 -0.767 12.7-163.7 -85.0 93.6 22.6 19.0 1.6 40 41 A L T 4>S+ 0 0 0 -32,-1.8 5,-2.7 -2,-1.3 4,-0.2 0.847 83.8 43.0 -53.2 -43.2 24.1 22.0 3.5 41 42 A Y T >45S+ 0 0 45 -33,-0.4 3,-1.3 -31,-0.3 -1,-0.2 0.921 113.4 51.7 -70.5 -42.3 27.7 21.3 2.7 42 43 A A T 345S+ 0 0 73 1,-0.3 -2,-0.2 -32,-0.2 -1,-0.2 0.874 111.5 48.5 -60.3 -37.2 26.9 20.5 -0.9 43 44 A M T 3<5S- 0 0 71 -4,-2.6 -1,-0.3 1,-0.0 -2,-0.2 0.467 106.9-127.1 -81.6 -3.2 25.0 23.8 -1.2 44 45 A N T < 5 - 0 0 145 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.901 40.3-156.6 57.1 37.1 27.9 25.7 0.4 45 46 A F < - 0 0 13 -5,-2.7 -1,-0.2 -6,-0.2 68,-0.1 -0.177 13.5-128.6 -53.2 132.9 25.1 27.0 2.8 46 47 A N + 0 0 62 1,-0.1 -1,-0.1 -3,-0.1 71,-0.1 -0.759 28.0 178.5 -84.3 111.9 25.8 30.3 4.6 47 48 A P + 0 0 4 0, 0.0 2,-0.7 0, 0.0 606,-0.2 0.357 46.6 101.8 -98.0 6.6 25.1 29.5 8.3 48 49 A I - 0 0 38 605,-0.1 2,-0.1 606,-0.1 -2,-0.0 -0.820 65.2-140.1-103.8 110.9 25.9 33.0 9.6 49 50 A I + 0 0 10 -2,-0.7 2,-0.3 2,-0.1 506,-0.1 -0.335 40.0 143.5 -60.7 133.2 23.1 35.3 10.6 50 51 A S > - 0 0 25 -2,-0.1 3,-1.9 16,-0.1 4,-0.2 -0.969 66.0 -88.9-161.9 173.6 23.7 38.9 9.6 51 52 A R G > S+ 0 0 87 1,-0.3 3,-2.1 -2,-0.3 -2,-0.1 0.745 115.6 75.6 -64.8 -19.4 22.0 42.1 8.2 52 53 A K G 3 S+ 0 0 169 1,-0.3 -1,-0.3 27,-0.0 -3,-0.1 0.613 76.4 76.2 -67.2 -10.4 22.7 40.8 4.7 53 54 A D G < S+ 0 0 1 -3,-1.9 27,-3.0 26,-0.1 2,-0.6 0.645 87.3 70.0 -73.5 -13.3 19.9 38.3 5.3 54 55 A I B < -F 79 0B 10 -3,-2.1 25,-0.2 25,-0.2 4,-0.1 -0.939 64.4-172.8-107.7 118.1 17.6 41.4 4.7 55 56 A T + 0 0 84 23,-3.1 -1,-0.1 -2,-0.6 24,-0.1 0.867 64.9 61.2 -75.9 -43.0 17.7 42.5 1.0 56 57 A G S S- 0 0 23 22,-0.8 2,-0.4 1,-0.2 -2,-0.1 0.268 104.8 -67.8 -70.5-160.9 15.6 45.7 1.4 57 58 A K - 0 0 181 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.786 57.1-118.6 -93.4 138.4 16.3 48.8 3.5 58 59 A L - 0 0 33 -2,-0.4 -1,-0.1 1,-0.1 6,-0.0 -0.264 6.4-129.2 -74.4 163.3 16.2 48.1 7.3 59 60 A K S S+ 0 0 161 1,-0.2 -1,-0.1 2,-0.1 5,-0.1 0.924 105.6 13.5 -75.2 -46.9 13.8 49.8 9.7 60 61 A D > + 0 0 72 1,-0.1 3,-0.7 5,-0.1 -1,-0.2 -0.689 69.8 170.7-132.5 79.0 16.6 50.8 12.0 61 62 A P T 3 S+ 0 0 73 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.753 78.0 55.9 -61.1 -27.2 20.0 50.4 10.3 62 63 A A T 3 S+ 0 0 82 1,-0.3 2,-0.3 496,-0.0 496,-0.1 0.788 118.2 32.6 -77.7 -28.4 22.0 52.2 13.1 63 64 A N S < S- 0 0 61 -3,-0.7 2,-0.4 2,-0.0 -1,-0.3 -0.730 88.1-162.7-127.4 78.5 20.7 49.8 15.8 64 65 A F - 0 0 5 -3,-0.5 2,-0.6 -2,-0.3 494,-0.1 -0.514 9.9-174.9 -72.1 121.5 20.2 46.5 13.9 65 66 A Q > - 0 0 101 -2,-0.4 4,-2.3 1,-0.2 5,-0.3 -0.958 12.8-156.4-116.4 110.2 18.0 43.9 15.7 66 67 A Y H > S+ 0 0 32 -2,-0.6 4,-2.7 1,-0.2 5,-0.3 0.922 87.8 52.4 -55.5 -51.5 18.0 40.6 13.8 67 68 A P H > S+ 0 0 71 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.934 116.6 37.6 -52.0 -51.4 14.6 39.3 15.1 68 69 A A H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.924 119.3 45.6 -68.4 -45.8 12.6 42.4 14.2 69 70 A E H X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.895 114.3 49.2 -65.8 -40.3 14.4 43.2 10.9 70 71 A S H X S+ 0 0 2 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.913 112.1 48.1 -65.7 -43.4 14.2 39.6 9.7 71 72 A V H X S+ 0 0 25 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.944 112.7 47.9 -60.7 -50.5 10.5 39.3 10.6 72 73 A L H X S+ 0 0 49 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.900 111.5 51.5 -56.4 -43.5 9.7 42.5 8.8 73 74 A A H X>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 4,-1.0 0.881 108.7 50.8 -63.0 -38.8 11.7 41.3 5.8 74 75 A Y H <5S+ 0 0 67 -4,-2.2 3,-0.3 3,-0.2 -2,-0.2 0.944 113.1 46.2 -63.5 -45.6 9.8 38.1 5.8 75 76 A K H <5S+ 0 0 128 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.879 117.5 41.0 -64.5 -41.3 6.5 40.0 5.9 76 77 A E H <5S- 0 0 128 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.519 115.1-114.0 -86.9 -5.8 7.4 42.5 3.1 77 78 A G T <5S+ 0 0 66 -4,-1.0 -3,-0.2 -3,-0.3 -4,-0.1 0.826 79.5 116.7 81.4 32.1 9.1 39.8 1.0 78 79 A H < + 0 0 31 -5,-2.8 -23,-3.1 -6,-0.2 -22,-0.8 -0.158 28.6 133.6-128.1 47.3 12.8 40.9 1.1 79 80 A L B S-F 54 0B 9 -6,-0.4 -25,-0.2 -25,-0.2 5,-0.1 -0.614 74.9 -79.6 -85.6 151.9 14.7 38.1 2.9 80 81 A S >> - 0 0 24 -27,-3.0 4,-1.9 -2,-0.2 3,-0.5 -0.222 43.8-123.1 -50.0 140.0 17.9 37.0 1.2 81 82 A P H 3> S+ 0 0 94 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.802 108.9 60.0 -60.8 -29.0 16.8 34.6 -1.7 82 83 A D H 3> S+ 0 0 58 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.902 107.7 47.0 -66.5 -35.6 18.9 31.7 -0.4 83 84 A I H <> S+ 0 0 0 -3,-0.5 4,-2.2 1,-0.2 3,-0.5 0.938 110.0 52.3 -67.2 -47.9 16.9 31.8 2.8 84 85 A V H X S+ 0 0 40 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.845 103.3 58.8 -58.6 -35.4 13.6 32.0 1.0 85 86 A A H X S+ 0 0 41 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.899 108.7 44.7 -61.9 -40.1 14.5 28.9 -1.1 86 87 A E H X S+ 0 0 8 -4,-1.2 4,-2.3 -3,-0.5 -2,-0.2 0.883 110.7 54.2 -70.6 -38.7 14.9 26.9 2.1 87 88 A Q H X S+ 0 0 7 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.863 106.2 52.5 -64.3 -34.8 11.6 28.3 3.5 88 89 A K H X S+ 0 0 130 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.848 108.3 50.9 -69.4 -33.8 9.8 27.2 0.3 89 90 A K H X S+ 0 0 45 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.927 111.4 48.1 -66.9 -45.1 11.2 23.7 0.8 90 91 A L H < S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.906 109.4 52.1 -60.3 -47.0 10.0 23.6 4.4 91 92 A E H < S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.850 111.0 48.4 -60.8 -33.7 6.5 24.9 3.5 92 93 A A H < S+ 0 0 30 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.760 96.5 92.7 -79.1 -23.4 6.1 22.2 0.9 93 94 A A < - 0 0 2 -4,-1.4 -89,-0.2 -3,-0.3 3,-0.1 -0.466 44.2-178.0 -81.2 142.6 7.2 19.4 3.2 94 95 A D S S+ 0 0 41 -91,-2.7 46,-2.3 1,-0.3 2,-0.4 0.778 83.8 35.5 -96.6 -45.1 5.0 17.1 5.3 95 96 A L E -bc 4 140A 0 -92,-2.2 -90,-2.5 44,-0.2 2,-0.5 -0.930 69.7-165.7-115.1 134.0 8.0 15.2 6.8 96 97 A V E -bc 5 141A 0 44,-2.5 46,-2.2 -2,-0.4 2,-0.4 -0.974 4.6-166.7-124.9 119.7 11.3 16.8 7.6 97 98 A I E -bc 6 142A 0 -92,-2.8 -90,-3.8 -2,-0.5 2,-0.6 -0.890 5.8-160.1-107.8 132.5 14.3 14.6 8.3 98 99 A F E -bc 7 143A 0 44,-2.5 46,-3.4 -2,-0.4 2,-0.6 -0.949 9.7-171.9-113.5 110.7 17.5 15.9 9.8 99 100 A Q E +bc 8 144A 0 -92,-2.8 -90,-2.4 -2,-0.6 46,-0.2 -0.919 26.4 129.9-106.5 121.6 20.5 13.6 9.2 100 101 A F E - c 0 145A 0 44,-2.1 46,-1.6 -2,-0.6 2,-0.3 -0.989 55.2-107.2-166.8 155.0 23.7 14.5 11.0 101 102 A P E - c 0 146A 17 0, 0.0 2,-0.3 0, 0.0 46,-0.2 -0.671 47.5-105.8 -85.9 144.7 26.5 13.3 13.2 102 103 A L - 0 0 24 44,-3.2 2,-0.5 -2,-0.3 46,-0.2 -0.549 41.1-170.5 -68.6 128.9 26.4 14.5 16.8 103 104 A Q B > -G 106 0C 38 3,-2.5 3,-0.8 -2,-0.3 557,-0.1 -0.973 65.1 -18.8-130.6 120.1 29.0 17.2 17.3 104 105 A W T 3 S- 0 0 40 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.952 126.5 -53.8 47.7 57.9 29.9 18.5 20.8 105 106 A F T 3 S+ 0 0 16 1,-0.2 -1,-0.2 612,-0.1 2,-0.2 0.712 127.0 49.1 52.5 30.5 26.6 17.2 22.2 106 107 A G B < S-G 103 0C 11 -3,-0.8 -3,-2.5 611,-0.1 -1,-0.2 -0.828 96.0 -45.0-162.5-158.5 24.5 18.9 19.6 107 108 A V - 0 0 11 -2,-0.2 -5,-0.1 -5,-0.2 5,-0.1 -0.556 65.8 -91.7 -88.0 150.5 23.9 19.7 15.9 108 109 A P >> - 0 0 1 0, 0.0 4,-2.4 0, 0.0 3,-1.0 -0.269 37.0-113.4 -59.3 152.0 26.7 20.8 13.6 109 110 A A H 3> S+ 0 0 1 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.841 116.5 58.2 -55.0 -34.5 27.3 24.5 13.3 110 111 A I H 3> S+ 0 0 3 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.822 110.3 41.9 -68.4 -29.7 26.1 24.5 9.7 111 112 A L H <> S+ 0 0 1 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.845 111.7 54.5 -82.4 -38.1 22.7 23.0 10.7 112 113 A K H X S+ 0 0 18 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.934 109.8 49.0 -58.9 -43.6 22.4 25.3 13.7 113 114 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.791 105.3 57.3 -65.9 -30.1 23.0 28.2 11.3 114 115 A W H X S+ 0 0 0 -4,-0.7 4,-2.5 2,-0.2 5,-0.4 0.926 109.3 45.8 -66.3 -43.8 20.4 26.8 9.0 115 116 A F H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.936 112.0 51.7 -63.2 -46.5 17.8 27.0 11.8 116 117 A E H < S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.861 119.5 33.1 -61.8 -37.4 18.9 30.4 12.8 117 118 A R H < S+ 0 0 1 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.777 125.7 40.3 -90.7 -27.7 18.6 31.9 9.3 118 119 A V H < S+ 0 0 0 -4,-2.5 2,-1.9 -5,-0.2 -3,-0.2 0.836 99.7 69.2 -91.0 -35.5 15.6 29.9 8.1 119 120 A F S < S+ 0 0 3 -4,-2.4 2,-0.2 -5,-0.4 -1,-0.2 -0.530 74.1 170.0 -85.4 74.6 13.3 29.7 11.1 120 121 A I >>> - 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