==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 12-AUG-11 3TE7 . COMPND 2 MOLECULE: RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.S.DUNSTAN . 456 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 6 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 . 42 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 4.8 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 2 0 0 0 2 3 1 2 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 0 2 2 2 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 118 0, 0.0 2,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 87.6 5.1 5.1 47.7 2 3 A K - 0 0 90 92,-0.0 32,-2.8 91,-0.0 2,-0.4 -0.538 360.0-149.2 -91.3 147.1 5.8 6.0 44.1 3 4 A K E -a 34 0A 85 30,-0.2 91,-2.7 -2,-0.2 92,-1.5 -0.947 14.3-169.0-114.6 134.8 6.9 3.6 41.3 4 5 A V E -ab 35 95A 2 30,-3.0 32,-2.2 -2,-0.4 2,-0.5 -0.976 10.3-163.1-126.9 135.7 9.1 4.8 38.4 5 6 A L E -ab 36 96A 1 90,-2.4 92,-2.7 -2,-0.4 2,-0.6 -0.980 7.0-161.8-111.9 129.0 10.1 3.2 35.1 6 7 A I E -ab 37 97A 1 30,-2.7 32,-2.9 -2,-0.5 2,-0.7 -0.958 3.4-159.3-107.8 117.6 13.0 4.6 33.3 7 8 A V E -ab 38 98A 0 90,-2.9 92,-2.6 -2,-0.6 2,-0.4 -0.898 20.3-167.2 -96.2 114.9 13.1 3.6 29.6 8 9 A Y E -ab 39 99A 3 30,-2.6 32,-2.0 -2,-0.7 33,-0.4 -0.905 17.9-176.0-117.8 129.2 16.8 4.1 28.6 9 10 A A + 0 0 0 90,-2.5 2,-0.3 -2,-0.4 102,-0.1 -0.666 38.0 108.9-129.7 77.0 18.3 4.1 25.1 10 11 A H - 0 0 28 -2,-0.3 32,-0.2 90,-0.1 31,-0.2 -0.985 52.7-144.7-148.1 144.7 22.1 4.4 25.0 11 12 A Q S S+ 0 0 35 -2,-0.3 282,-0.1 1,-0.1 269,-0.1 0.685 82.2 64.0 -76.5 -23.0 24.8 1.9 24.0 12 13 A E > - 0 0 19 1,-0.1 3,-1.9 281,-0.1 6,-0.5 -0.924 59.2-158.9-121.8 114.9 27.4 3.0 26.5 13 14 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 279,-0.1 0.809 97.7 53.3 -57.2 -32.9 27.2 2.9 30.3 14 15 A K T 3 S+ 0 0 148 4,-0.1 278,-0.0 5,-0.0 5,-0.0 0.377 88.3 111.8 -85.2 3.1 29.9 5.6 30.7 15 16 A S S <> S- 0 0 13 -3,-1.9 4,-2.1 1,-0.1 5,-0.1 -0.170 86.1-106.2 -70.6 167.6 28.1 8.0 28.4 16 17 A F H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.888 125.5 52.3 -58.0 -40.9 26.5 11.3 29.5 17 18 A N H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.910 106.4 53.1 -61.2 -42.9 23.1 9.5 29.1 18 19 A G H > S+ 0 0 0 -6,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.903 108.8 49.8 -58.2 -42.2 24.3 6.7 31.2 19 20 A S H X S+ 0 0 48 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.866 110.4 49.2 -65.9 -36.9 25.3 9.2 33.9 20 21 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.898 111.8 49.4 -69.2 -39.2 21.8 10.8 33.8 21 22 A K H X S+ 0 0 37 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.934 112.3 48.5 -62.3 -45.9 20.1 7.4 34.0 22 23 A N H X S+ 0 0 64 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.892 108.8 50.8 -64.4 -40.8 22.3 6.5 37.0 23 24 A V H X S+ 0 0 26 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.883 110.1 52.1 -67.6 -33.0 21.7 9.7 38.9 24 25 A A H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.931 111.7 45.6 -62.9 -46.3 18.0 9.3 38.4 25 26 A V H X S+ 0 0 40 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.951 115.3 47.9 -61.0 -48.6 18.2 5.7 39.8 26 27 A D H X S+ 0 0 111 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.911 116.7 41.6 -58.5 -48.0 20.3 6.9 42.7 27 28 A E H X S+ 0 0 12 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.915 117.3 44.6 -72.2 -45.3 18.1 9.9 43.6 28 29 A L H X>S+ 0 0 0 -4,-2.6 5,-2.2 -5,-0.2 4,-0.6 0.900 115.1 50.2 -66.4 -37.6 14.7 8.1 43.2 29 30 A S H ><5S+ 0 0 74 -4,-2.5 3,-1.1 -5,-0.3 -2,-0.2 0.909 107.8 53.8 -63.5 -41.4 16.1 5.1 45.1 30 31 A R H 3<5S+ 0 0 164 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.875 104.8 55.1 -60.0 -38.1 17.3 7.4 47.9 31 32 A Q H 3<5S- 0 0 57 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.669 122.1-108.4 -69.0 -17.2 13.8 8.9 48.2 32 33 A G T <<5 + 0 0 60 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.526 68.1 149.0 97.8 9.5 12.4 5.4 48.7 33 34 A C < - 0 0 18 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.356 53.9-113.6 -69.9 155.7 10.8 5.1 45.3 34 35 A T E -a 3 0A 75 -32,-2.8 -30,-3.0 -2,-0.1 2,-0.4 -0.815 42.2-165.4 -88.2 126.5 10.4 1.8 43.6 35 36 A V E +a 4 0A 40 -2,-0.5 2,-0.4 -32,-0.2 -30,-0.2 -0.963 18.3 175.9-128.5 132.5 12.6 2.0 40.5 36 37 A T E -a 5 0A 60 -32,-2.2 -30,-2.7 -2,-0.4 2,-0.4 -0.984 11.8-158.5-130.9 141.0 12.8 -0.2 37.3 37 38 A V E -a 6 0A 49 -2,-0.4 2,-0.8 -32,-0.2 -30,-0.2 -0.983 9.1-157.8-123.3 128.7 15.0 0.4 34.2 38 39 A S E -a 7 0A 0 -32,-2.9 -30,-2.6 -2,-0.4 2,-1.3 -0.902 11.5-165.7-100.1 101.4 14.4 -0.9 30.7 39 40 A D E > -a 8 0A 47 -2,-0.8 4,-2.2 1,-0.2 3,-0.2 -0.713 6.4-167.6 -88.6 89.5 17.9 -0.8 29.2 40 41 A L T 4>S+ 0 0 0 -32,-2.0 5,-2.5 -2,-1.3 4,-0.4 0.852 79.0 45.2 -56.7 -44.4 16.8 -1.3 25.6 41 42 A Y T >45S+ 0 0 30 -33,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.910 114.1 49.4 -66.2 -40.0 20.2 -1.9 24.0 42 43 A A T 345S+ 0 0 79 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.828 112.1 49.2 -68.3 -30.0 21.3 -4.3 26.7 43 44 A M T 3<5S- 0 0 80 -4,-2.2 -1,-0.3 2,-0.0 -2,-0.2 0.505 106.1-131.6 -78.0 -6.4 18.0 -6.1 26.4 44 45 A N T < 5 - 0 0 91 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.906 34.8-155.6 47.5 45.5 18.5 -6.2 22.6 45 46 A F < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 68,-0.1 -0.209 12.0-119.6 -57.5 134.2 15.0 -4.9 22.4 46 47 A E - 0 0 50 1,-0.1 -1,-0.1 -3,-0.1 71,-0.1 -0.619 30.1-178.6 -79.3 119.7 13.2 -5.8 19.2 47 48 A P + 0 0 0 0, 0.0 291,-0.3 0, 0.0 2,-0.3 0.700 48.3 99.1 -91.3 -20.5 12.1 -2.5 17.4 48 49 A R - 0 0 14 290,-0.1 2,-1.0 291,-0.1 -2,-0.0 -0.498 67.0-138.2 -78.4 132.7 10.4 -4.0 14.3 49 50 A A + 0 0 1 -2,-0.3 2,-0.3 3,-0.0 17,-0.1 -0.770 47.3 148.8 -85.3 103.9 6.6 -4.2 14.2 50 51 A T > - 0 0 15 -2,-1.0 3,-2.2 16,-0.1 4,-0.1 -0.850 65.2 -97.2-134.4 171.5 6.0 -7.7 12.6 51 52 A D G > S+ 0 0 85 1,-0.3 3,-1.4 -2,-0.3 -2,-0.0 0.640 112.2 78.1 -64.8 -10.9 3.6 -10.6 12.6 52 53 A K G 3 S+ 0 0 135 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.679 77.5 73.7 -67.3 -16.2 6.0 -12.3 15.1 53 54 A D G < S+ 0 0 4 -3,-2.2 27,-2.1 26,-0.1 2,-0.5 0.591 88.9 66.9 -77.9 -9.1 4.5 -10.0 17.8 54 55 A I B < -F 79 0B 12 -3,-1.4 25,-0.2 25,-0.2 4,-0.1 -0.964 66.1-168.3-113.1 125.8 1.3 -12.2 17.7 55 56 A T + 0 0 98 23,-2.8 2,-0.2 -2,-0.5 24,-0.1 0.433 63.4 36.5 -98.7 0.0 1.9 -15.8 19.0 56 57 A G S S- 0 0 39 22,-0.4 -2,-0.1 1,-0.2 17,-0.1 -0.535 105.3 -25.4-132.0-160.0 -1.4 -17.4 17.9 57 58 A T - 0 0 143 -2,-0.2 2,-0.2 1,-0.1 -1,-0.2 -0.238 60.5-130.3 -56.2 132.2 -3.9 -17.5 15.1 58 59 A L - 0 0 36 1,-0.1 -1,-0.1 -3,-0.1 4,-0.1 -0.613 8.0-134.4 -81.6 145.3 -4.1 -14.3 13.1 59 60 A S S S+ 0 0 80 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.758 103.4 19.8 -74.4 -21.9 -7.6 -12.8 12.5 60 61 A N > + 0 0 72 5,-0.1 3,-0.5 1,-0.1 -1,-0.3 -0.652 67.4 173.0-142.9 87.3 -6.7 -12.3 8.9 61 62 A P T 3 S+ 0 0 82 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 0.608 77.3 62.2 -69.2 -12.2 -3.8 -14.5 7.8 62 63 A E T 3 S+ 0 0 139 1,-0.3 2,-0.4 -4,-0.1 -2,-0.0 0.831 115.6 23.9 -82.3 -36.3 -4.3 -13.4 4.1 63 64 A V S < S- 0 0 52 -3,-0.5 2,-0.5 179,-0.1 -1,-0.3 -0.930 82.2-142.8-135.2 108.2 -3.6 -9.7 4.6 64 65 A F - 0 0 17 -2,-0.4 2,-0.5 -3,-0.2 176,-0.1 -0.602 18.7-179.9 -82.1 122.6 -1.5 -8.7 7.7 65 66 A N > - 0 0 56 -2,-0.5 4,-2.7 -5,-0.2 5,-0.3 -0.951 13.7-159.7-121.6 104.8 -2.6 -5.5 9.4 66 67 A Y H > S+ 0 0 16 -2,-0.5 4,-2.4 1,-0.2 5,-0.3 0.876 88.9 49.1 -55.8 -43.0 -0.3 -4.8 12.4 67 68 A G H > S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.949 114.8 43.5 -64.4 -48.2 -2.8 -2.5 14.2 68 69 A V H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.938 116.2 47.3 -62.4 -47.0 -5.7 -4.8 13.9 69 70 A E H X S+ 0 0 5 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.864 112.7 46.9 -68.9 -35.3 -3.8 -8.0 14.9 70 71 A T H X S+ 0 0 7 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.867 110.7 53.4 -74.8 -32.9 -2.0 -6.5 17.9 71 72 A H H X S+ 0 0 28 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.952 113.6 42.4 -62.6 -49.0 -5.2 -5.0 19.2 72 73 A E H X S+ 0 0 62 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.910 113.4 53.0 -63.2 -42.1 -6.9 -8.4 19.0 73 74 A A H X>S+ 0 0 3 -4,-2.3 5,-2.9 1,-0.2 4,-0.9 0.846 105.5 54.0 -63.9 -36.3 -3.8 -10.2 20.4 74 75 A Y H ><5S+ 0 0 59 -4,-2.3 3,-0.6 3,-0.2 -1,-0.2 0.936 110.9 46.1 -60.7 -45.7 -3.8 -7.8 23.4 75 76 A K H 3<5S+ 0 0 115 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.846 117.6 42.6 -67.4 -33.3 -7.4 -8.7 24.2 76 77 A Q H 3<5S- 0 0 142 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.499 110.5-121.8 -89.1 -7.2 -6.8 -12.4 23.8 77 78 A R T <<5S+ 0 0 226 -4,-0.9 -3,-0.2 -3,-0.6 -4,-0.1 0.918 75.9 123.3 62.0 48.1 -3.5 -12.3 25.6 78 79 A S < + 0 0 27 -5,-2.9 -23,-2.8 -8,-0.1 -22,-0.4 -0.037 31.0 124.5-126.3 30.0 -1.5 -13.6 22.7 79 80 A L B S-F 54 0B 12 -6,-0.5 -25,-0.2 -25,-0.2 -26,-0.1 -0.543 75.8 -84.8 -79.6 156.5 1.1 -10.8 22.3 80 81 A A >> - 0 0 13 -27,-2.1 4,-1.7 -2,-0.2 3,-1.0 -0.330 38.8-120.5 -59.5 143.5 4.8 -11.7 22.4 81 82 A S H 3> S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.781 108.4 64.7 -64.0 -27.2 6.0 -11.8 26.0 82 83 A D H 3> S+ 0 0 48 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.887 106.5 45.6 -62.8 -33.6 8.7 -9.0 25.4 83 84 A I H <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 3,-0.3 0.946 112.9 47.0 -71.3 -51.0 5.8 -6.6 24.8 84 85 A T H X S+ 0 0 53 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.837 106.5 60.0 -65.4 -30.0 3.7 -7.7 27.8 85 86 A D H X S+ 0 0 94 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.916 109.4 43.4 -58.9 -43.2 6.7 -7.5 30.0 86 87 A E H X S+ 0 0 2 -4,-1.2 4,-2.3 -3,-0.3 -2,-0.2 0.892 109.8 55.8 -70.1 -38.6 7.0 -3.8 29.1 87 88 A Q H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.870 104.5 53.8 -61.8 -36.2 3.3 -3.3 29.5 88 89 A K H X S+ 0 0 121 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.927 108.6 49.2 -64.2 -43.4 3.5 -4.6 33.1 89 90 A K H X S+ 0 0 53 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.908 114.4 44.6 -60.2 -42.7 6.2 -2.1 33.9 90 91 A V H < S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.923 110.6 54.3 -68.2 -43.7 4.2 0.8 32.5 91 92 A R H < S+ 0 0 122 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.861 112.9 43.2 -58.7 -38.7 0.9 -0.4 34.1 92 93 A E H < S+ 0 0 98 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.721 96.9 96.3 -80.5 -21.9 2.6 -0.4 37.5 93 94 A A < - 0 0 3 -4,-1.1 -89,-0.2 -3,-0.4 3,-0.1 -0.418 50.2-167.6 -78.8 142.6 4.5 2.9 37.1 94 95 A D S S+ 0 0 57 -91,-2.7 46,-2.4 1,-0.3 2,-0.4 0.717 85.8 25.4 -88.7 -28.5 3.3 6.3 38.4 95 96 A L E -bc 4 140A 1 -92,-1.5 -90,-2.4 44,-0.2 2,-0.5 -0.999 65.8-161.3-139.6 132.9 6.0 8.1 36.3 96 97 A V E -bc 5 141A 0 44,-2.3 46,-2.0 -2,-0.4 2,-0.4 -0.978 9.9-166.8-116.9 120.3 7.8 7.0 33.2 97 98 A I E -bc 6 142A 1 -92,-2.7 -90,-2.9 -2,-0.5 2,-0.5 -0.901 7.0-154.1-104.0 134.0 11.0 8.8 32.4 98 99 A F E -bc 7 143A 2 44,-2.6 46,-3.2 -2,-0.4 2,-0.6 -0.949 9.6-168.8-108.1 123.1 12.6 8.4 28.9 99 100 A Q E +bc 8 144A 2 -92,-2.6 -90,-2.5 -2,-0.5 46,-0.2 -0.943 28.1 128.9-116.2 116.0 16.3 8.9 28.8 100 101 A F E - c 0 145A 0 44,-2.0 46,-1.5 -2,-0.6 2,-0.3 -0.997 56.0-107.2-161.0 153.2 17.9 9.2 25.4 101 102 A P E - c 0 146A 13 0, 0.0 2,-0.3 0, 0.0 46,-0.2 -0.673 50.4-104.1 -79.4 140.6 20.1 11.1 23.0 102 103 A L - 0 0 25 44,-3.0 2,-0.5 -2,-0.3 5,-0.2 -0.526 38.3-170.5 -66.6 126.3 18.2 13.0 20.3 103 104 A Y B > -G 106 0C 39 3,-2.6 3,-0.9 -2,-0.3 242,-0.1 -0.974 69.8 -20.9-120.6 116.5 18.5 11.1 17.0 104 105 A W T 3 S- 0 0 40 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.926 124.8 -53.2 50.6 54.8 17.2 13.0 13.9 105 106 A F T 3 S+ 0 0 11 1,-0.2 -1,-0.3 297,-0.2 2,-0.2 0.712 131.5 57.3 58.5 24.3 15.0 15.4 15.9 106 107 A S B < S-G 103 0C 7 -3,-0.9 -3,-2.6 292,-0.1 -1,-0.2 -0.753 96.8 -53.3-155.9-163.9 13.4 12.3 17.6 107 108 A V - 0 0 0 -2,-0.2 -5,-0.1 -5,-0.2 5,-0.1 -0.620 61.6 -93.1 -87.2 150.1 14.1 9.1 19.6 108 109 A P >> - 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-1.1 -0.303 43.6-108.0 -54.1 147.1 16.7 6.4 18.6 109 110 A A H 3> S+ 0 0 1 1,-0.3 4,-2.4 167,-0.3 5,-0.2 0.809 118.1 60.2 -52.1 -35.1 15.0 3.7 16.5 110 111 A I H 3> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.903 111.0 41.1 -62.7 -36.5 15.2 1.1 19.4 111 112 A L H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.858 110.2 57.3 -77.4 -37.4 13.1 3.5 21.5 112 113 A K H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 226,-0.2 0.902 106.3 52.4 -56.0 -39.2 10.8 4.3 18.6 113 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.838 103.9 54.8 -67.9 -34.2 10.2 0.5 18.4 114 115 A W H X>S+ 0 0 1 -4,-1.0 4,-2.6 2,-0.2 5,-0.5 0.946 111.4 45.6 -60.8 -46.9 9.3 0.4 22.1 115 116 A M H X5S+ 0 0 2 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.959 114.4 47.9 -60.5 -48.1 6.7 3.1 21.5 116 117 A D H <5S+ 0 0 13 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 123.0 31.1 -60.8 -40.5 5.4 1.3 18.3 117 118 A R H <5S+ 0 0 4 -4,-2.2 3,-0.3 -5,-0.2 -1,-0.2 0.782 121.4 44.2 -93.8 -33.1 5.1 -2.2 19.9 118 119 A V H <5S+ 0 0 0 -4,-2.6 2,-1.6 -5,-0.3 -3,-0.2 0.867 102.9 63.2 -84.1 -36.0 4.3 -1.5 23.5 119 120 A L S <>> - 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0 0 52 1,-0.1 4,-2.6 -2,-0.0 5,-0.2 -0.272 33.1-100.7 -74.0 167.8 -14.6 4.8 0.5 425 197 B E H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.899 125.1 46.3 -58.1 -42.0 -13.4 2.6 -2.3 426 198 B E H > S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.823 110.6 52.8 -73.1 -30.3 -13.7 5.4 -4.8 427 199 B E H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.903 109.2 49.9 -68.6 -40.5 -11.9 7.8 -2.5 428 200 B R H X S+ 0 0 85 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.923 110.9 48.7 -61.8 -45.9 -9.0 5.3 -2.1 429 201 B K H X S+ 0 0 123 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.891 109.6 53.7 -64.1 -35.1 -8.8 4.9 -5.9 430 202 B G H X S+ 0 0 40 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.909 108.5 48.8 -61.9 -42.9 -8.8 8.7 -6.1 431 203 B M H X S+ 0 0 38 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.917 112.6 46.9 -66.9 -44.0 -5.9 9.0 -3.7 432 204 B V H X S+ 0 0 35 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.897 112.8 50.7 -59.3 -42.9 -3.9 6.3 -5.6 433 205 B A H X S+ 0 0 47 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.883 106.1 54.3 -65.6 -38.9 -4.7 8.1 -8.9 434 206 B A H X S+ 0 0 49 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.899 111.2 47.2 -59.7 -40.5 -3.6 11.4 -7.6 435 207 B W H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.944 113.7 45.0 -67.0 -51.5 -0.2 9.8 -6.7 436 208 B S H X S+ 0 0 31 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.923 116.8 47.4 -58.8 -45.6 0.2 8.1 -10.0 437 209 B Q H >X S+ 0 0 112 -4,-3.2 3,-1.0 1,-0.2 4,-0.6 0.932 110.0 51.7 -61.8 -46.8 -0.8 11.3 -11.8 438 210 B R H >< S+ 0 0 37 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.909 104.0 59.0 -56.2 -41.1 1.5 13.4 -9.6 439 211 B L H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.3 4,-0.3 0.775 91.6 70.1 -61.9 -25.9 4.4 11.0 -10.5 440 212 B Q H << S+ 0 0 86 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.825 113.9 25.2 -59.1 -32.3 3.9 11.8 -14.2 441 213 B T T X< S+ 0 0 79 -3,-1.5 3,-2.0 -4,-0.6 4,-0.4 0.081 82.1 122.2-121.8 25.2 5.2 15.4 -13.7 442 214 B I G X S+ 0 0 1 -3,-1.0 3,-1.1 1,-0.3 -1,-0.1 0.818 72.0 59.1 -60.0 -31.3 7.4 14.9 -10.6 443 215 B W G 3 S+ 0 0 69 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.548 99.3 58.8 -78.1 -5.5 10.5 16.2 -12.5 444 216 B K G < S+ 0 0 179 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.485 85.7 107.9 -96.1 -6.7 8.8 19.5 -13.2 445 217 B E < - 0 0 52 -3,-1.1 -33,-0.0 -4,-0.4 -3,-0.0 -0.403 60.8-139.9 -77.5 148.6 8.3 20.3 -9.5 446 218 B E - 0 0 173 -2,-0.1 -33,-0.4 1,-0.1 -2,-0.1 -0.816 30.6-105.9 -97.8 146.6 10.1 22.9 -7.4 447 219 B P - 0 0 51 0, 0.0 -35,-0.3 0, 0.0 -1,-0.1 -0.306 36.5-105.9 -65.4 152.4 11.2 22.0 -3.8 448 220 B I - 0 0 24 -37,-3.0 2,-1.2 1,-0.1 -37,-0.4 -0.381 34.8-102.1 -71.4 156.0 9.3 23.5 -0.8 449 221 B P - 0 0 82 0, 0.0 2,-2.2 0, 0.0 5,-0.2 -0.759 39.1-150.4 -74.3 101.9 10.9 26.3 1.2 450 222 B C + 0 0 11 -2,-1.2 2,-0.3 4,-0.1 3,-0.0 -0.486 46.1 132.8 -80.2 76.3 11.8 23.9 4.0 451 223 B T S > S- 0 0 60 -2,-2.2 4,-1.7 1,-0.1 5,-0.2 -0.793 74.2-109.1-124.2 163.3 11.6 26.6 6.8 452 224 B A H >>S+ 0 0 28 -2,-0.3 4,-2.5 1,-0.2 5,-0.6 0.861 121.2 56.8 -56.0 -35.7 10.1 26.9 10.2 453 225 B H H >5S+ 0 0 144 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 103.2 51.8 -65.5 -43.5 7.6 29.3 8.6 454 226 B W H 45S+ 0 0 32 -5,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.907 118.0 38.7 -55.1 -42.7 6.5 26.7 6.0 455 227 B H H <5S+ 0 0 3 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.814 135.0 14.4 -82.3 -33.9 5.8 24.2 8.8 456 228 B F H <5 0 0 34 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.623 360.0 360.0-120.6 -19.6 4.3 26.4 11.6 457 229 B G << 0 0 81 -4,-1.9 -3,-0.1 -5,-0.6 -4,-0.1 0.393 360.0 360.0 -78.4 360.0 3.4 29.7 10.0