==== 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 04-JAN-02 1KQC . COMPND 2 MOLECULE: OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR C.A.HAYNES,R.L.KODER,A.F.MILLER,D.W.RODGERS . 864 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 653 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 11.1 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 . 0 0.0 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 . 64 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.8 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 8 0 4 9 3 0 0 0 4 4 0 0 1 0 0 3 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 PARALLEL BRIDGES PER LADDER . 8 4 0 0 0 4 0 4 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 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 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 D >> 0 0 125 0, 0.0 4,-1.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 96.9 20.1 19.6 39.3 2 3 A I H 3> + 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.791 360.0 57.8 -59.7 -29.1 19.2 15.9 39.6 3 4 A I H 3> S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 104.0 51.4 -69.5 -37.8 22.8 14.9 38.7 4 5 A S H <> S+ 0 0 58 -3,-0.5 4,-0.9 1,-0.2 -1,-0.2 0.884 109.0 52.7 -63.8 -36.7 24.2 16.9 41.6 5 6 A V H >X S+ 0 0 34 -4,-1.6 4,-3.5 2,-0.2 3,-0.7 0.929 108.2 49.5 -63.7 -44.6 21.7 15.0 43.8 6 7 A A H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.862 112.8 47.6 -63.1 -35.7 22.9 11.7 42.5 7 8 A L H 3< S+ 0 0 70 -4,-2.1 -1,-0.3 -5,-0.1 197,-0.2 0.629 122.2 35.7 -80.2 -13.4 26.5 12.8 43.2 8 9 A K H << S+ 0 0 158 -4,-0.9 -2,-0.2 -3,-0.7 -3,-0.2 0.780 87.9 96.0-110.7 -34.5 25.6 14.0 46.7 9 10 A R < - 0 0 24 -4,-3.5 2,-0.3 -5,-0.2 150,-0.1 -0.202 55.3-179.8 -54.7 151.0 22.9 11.7 48.2 10 11 A H - 0 0 18 150,-0.1 2,-1.0 194,-0.0 150,-0.7 -0.978 38.7 -89.5-151.7 163.5 24.5 9.0 50.4 11 12 A S B -a 160 0A 28 -2,-0.3 150,-0.3 188,-0.1 2,-0.1 -0.685 49.5-132.6 -79.9 107.2 23.7 6.1 52.6 12 13 A T - 0 0 0 148,-2.0 3,-0.1 -2,-1.0 -1,-0.0 -0.397 23.2-173.6 -62.2 129.0 23.1 7.6 56.0 13 14 A K S S+ 0 0 87 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.582 72.5 25.8-100.1 -14.3 25.0 5.8 58.8 14 15 A A - 0 0 28 180,-0.1 180,-1.8 59,-0.1 2,-0.3 -0.961 67.7-154.9-153.0 131.9 23.5 7.8 61.7 15 16 A F B -G 193 0B 6 -2,-0.3 2,-0.8 178,-0.3 178,-0.3 -0.839 25.7-117.5-110.2 146.2 20.3 9.8 62.1 16 17 A D > - 0 0 46 176,-3.2 3,-1.1 -2,-0.3 176,-0.4 -0.707 24.3-152.7 -78.2 113.3 19.5 12.7 64.4 17 18 A A T 3 S+ 0 0 54 -2,-0.8 -1,-0.2 1,-0.2 176,-0.0 0.498 89.5 56.8 -68.2 -3.2 16.7 11.2 66.6 18 19 A S T 3 S+ 0 0 92 174,-0.1 2,-0.7 1,-0.1 -1,-0.2 0.661 86.7 85.5-101.3 -18.4 15.2 14.6 67.2 19 20 A K < - 0 0 101 -3,-1.1 173,-0.4 173,-0.2 2,-0.3 -0.753 58.2-178.9 -91.3 113.8 14.6 15.6 63.6 20 21 A K - 0 0 90 -2,-0.7 2,-0.1 171,-0.1 171,-0.1 -0.716 32.7-100.3-108.0 158.5 11.3 14.4 62.2 21 22 A L - 0 0 14 -2,-0.3 -1,-0.1 169,-0.2 2,-0.1 -0.437 42.3-111.7 -72.3 151.6 9.8 14.8 58.7 22 23 A T > - 0 0 75 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.322 31.1-103.8 -75.7 168.8 7.2 17.5 58.4 23 24 A A H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.871 124.9 51.2 -61.7 -35.7 3.6 16.4 57.8 24 25 A E H > S+ 0 0 133 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 108.7 49.0 -68.3 -43.2 4.1 17.5 54.2 25 26 A E H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.880 108.3 55.3 -64.5 -37.2 7.3 15.5 53.8 26 27 A A H X S+ 0 0 17 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.906 109.4 46.5 -62.0 -42.6 5.5 12.4 55.2 27 28 A E H X S+ 0 0 102 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.910 111.7 52.9 -65.8 -41.4 2.8 12.7 52.6 28 29 A K H X S+ 0 0 48 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.859 104.1 52.8 -64.9 -38.9 5.3 13.2 49.9 29 30 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.847 109.5 51.4 -67.8 -29.4 7.4 10.1 50.6 30 31 A K H X S+ 0 0 19 -4,-1.2 4,-2.3 -5,-0.2 -1,-0.2 0.861 106.6 53.6 -72.2 -34.8 4.2 8.0 50.5 31 32 A T H X S+ 0 0 29 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.907 106.3 53.4 -64.2 -40.4 3.4 9.5 47.1 32 33 A L H < S+ 0 0 0 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.908 109.6 48.2 -60.0 -42.8 6.8 8.5 45.9 33 34 A L H >< S+ 0 0 0 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.925 114.6 45.8 -63.5 -45.1 6.2 4.9 47.0 34 35 A Q H 3< S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.889 112.3 48.1 -67.1 -42.6 2.8 4.8 45.4 35 36 A Y T 3< S+ 0 0 55 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.321 75.1 124.0 -88.9 10.5 3.7 6.4 42.0 36 37 A S < - 0 0 0 -3,-0.7 109,-0.1 -4,-0.5 7,-0.1 -0.371 64.9-116.6 -64.2 146.2 6.8 4.3 41.1 37 38 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 111,-0.1 -0.309 36.1-178.5 -78.1 172.9 6.3 2.6 37.8 38 39 A S > - 0 0 16 341,-0.1 3,-3.0 106,-0.1 2,-0.1 -0.957 41.6 -70.6-166.5 154.3 6.3 -1.2 37.5 39 40 A S G > S- 0 0 19 1,-0.3 3,-2.0 -2,-0.3 4,-0.1 -0.329 122.2 -8.5 -54.5 124.1 6.0 -3.9 34.7 40 41 A T G 3 S- 0 0 36 1,-0.3 -1,-0.3 2,-0.1 80,-0.1 0.663 116.7 -81.3 58.2 19.4 2.4 -3.7 33.4 41 42 A N G < S+ 0 0 19 -3,-3.0 -1,-0.3 1,-0.1 -2,-0.2 0.851 85.4 154.8 55.4 34.1 1.7 -1.3 36.3 42 43 A S < - 0 0 0 -3,-2.0 3,-0.1 2,-0.1 -2,-0.1 0.694 31.0-162.2 -65.5 -21.8 1.4 -4.5 38.4 43 44 A Q - 0 0 0 1,-0.2 2,-2.0 -7,-0.1 -1,-0.1 0.864 11.6-177.9 36.1 56.5 2.3 -2.6 41.6 44 45 A P + 0 0 0 0, 0.0 42,-2.0 0, 0.0 2,-0.3 -0.235 43.9 96.7 -79.1 52.4 3.1 -6.0 43.3 45 46 A W E -B 85 0A 0 -2,-2.0 2,-0.3 40,-0.2 40,-0.2 -0.862 50.9-164.8-142.6 169.9 3.9 -4.3 46.6 46 47 A H E -B 84 0A 15 38,-1.8 38,-2.4 -2,-0.3 2,-0.4 -0.972 17.9-149.4-149.3 148.6 3.0 -3.2 50.0 47 48 A F E -Bc 83 430A 0 382,-3.0 384,-2.8 -2,-0.3 2,-0.6 -0.984 5.6-156.2-130.2 134.0 4.8 -0.7 52.3 48 49 A I E -Bc 82 431A 2 34,-1.8 34,-2.8 -2,-0.4 2,-0.6 -0.934 12.6-168.6-104.7 123.9 5.0 -0.5 56.1 49 50 A V E -Bc 81 432A 3 382,-3.0 384,-2.1 -2,-0.6 2,-0.6 -0.902 3.5-169.4-117.6 100.8 5.8 3.1 57.2 50 51 A A E +B 80 0A 0 30,-2.6 30,-2.7 -2,-0.6 382,-0.1 -0.814 23.0 153.2 -94.2 120.8 6.7 3.1 60.9 51 52 A S + 0 0 47 382,-3.0 2,-0.2 -2,-0.6 -1,-0.2 0.551 50.5 81.3-118.9 -18.3 6.9 6.6 62.4 52 53 A T S > S- 0 0 48 381,-0.8 4,-2.5 1,-0.1 5,-0.2 -0.525 85.7-115.9 -88.8 160.0 6.1 5.9 66.1 53 54 A E H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.903 118.1 48.5 -60.2 -41.0 8.7 4.6 68.5 54 55 A E H > S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 110.5 51.8 -66.4 -40.2 6.8 1.4 69.0 55 56 A G H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.935 111.1 45.5 -62.3 -47.8 6.5 0.9 65.2 56 57 A K H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.869 109.1 57.1 -64.0 -36.1 10.2 1.4 64.6 57 58 A A H < S+ 0 0 47 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.904 105.2 51.3 -61.6 -41.0 10.9 -1.0 67.5 58 59 A R H >< S+ 0 0 82 -4,-1.9 3,-0.9 1,-0.2 4,-0.2 0.913 113.0 44.3 -62.6 -44.1 8.8 -3.7 65.9 59 60 A V H >< S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.900 106.0 61.9 -66.9 -39.5 10.7 -3.3 62.6 60 61 A A G >< S+ 0 0 5 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.594 81.6 82.2 -62.9 -11.8 14.0 -3.1 64.5 61 62 A K G < S+ 0 0 110 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.797 85.7 60.2 -62.5 -25.9 13.3 -6.7 65.7 62 63 A S G < S+ 0 0 0 -3,-2.1 105,-2.6 -4,-0.2 2,-1.5 0.627 83.5 79.5 -76.5 -15.4 14.7 -7.7 62.3 63 64 A A S < S+ 0 0 3 -3,-1.5 2,-0.2 103,-0.2 -1,-0.2 -0.400 74.8 151.9 -89.0 58.3 18.1 -6.1 63.1 64 65 A A > - 0 0 40 -2,-1.5 3,-2.9 -3,-0.1 4,-0.1 -0.631 56.2 -41.5 -97.3 150.9 19.0 -9.1 65.2 65 66 A G G > S+ 0 0 62 1,-0.3 3,-2.1 -2,-0.2 4,-0.3 -0.106 137.0 29.5 41.5-103.3 22.4 -10.6 66.0 66 67 A T G 3 S+ 0 0 94 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.823 130.2 43.0 -51.2 -35.8 24.3 -10.5 62.8 67 68 A Y G X S+ 0 0 29 -3,-2.9 3,-2.4 1,-0.2 4,-0.3 0.278 75.7 111.8 -98.6 11.6 22.4 -7.4 61.7 68 69 A V G X + 0 0 61 -3,-2.1 3,-1.5 1,-0.3 4,-0.5 0.750 65.8 73.2 -56.9 -22.9 22.5 -5.6 65.1 69 70 A F G 3 S+ 0 0 176 -3,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.560 96.8 49.7 -70.0 -5.1 24.8 -3.0 63.5 70 71 A N G <> S+ 0 0 33 -3,-2.4 4,-1.4 95,-0.2 -1,-0.3 0.411 85.3 92.2-108.9 -2.6 21.7 -1.7 61.5 71 72 A E H <> S+ 0 0 75 -3,-1.5 4,-1.6 -4,-0.3 3,-0.2 0.915 81.4 52.2 -59.6 -48.8 19.4 -1.4 64.6 72 73 A R H > S+ 0 0 176 -4,-0.5 4,-2.9 1,-0.2 5,-0.3 0.832 104.2 56.9 -60.8 -32.8 20.2 2.2 65.5 73 74 A K H > S+ 0 0 20 1,-0.2 4,-1.3 -3,-0.2 -1,-0.2 0.926 110.1 46.0 -63.3 -41.3 19.5 3.4 61.9 74 75 A M H < S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.779 118.3 42.1 -71.0 -29.0 16.0 1.9 62.2 75 76 A L H < S+ 0 0 48 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.849 116.2 44.2 -88.2 -35.8 15.4 3.3 65.7 76 77 A D H < S+ 0 0 27 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.706 91.5 96.1 -84.3 -20.5 16.8 6.9 65.3 77 78 A A S < S- 0 0 0 -4,-1.3 114,-0.2 -5,-0.3 3,-0.2 -0.201 74.6-129.0 -67.1 161.2 15.3 7.7 61.9 78 79 A S S S+ 0 0 2 112,-1.2 2,-0.4 1,-0.3 113,-0.2 0.956 91.1 14.6 -74.9 -53.6 12.0 9.7 61.6 79 80 A H E - D 0 190A 24 111,-2.3 111,-3.1 2,-0.0 2,-0.6 -0.990 67.1-158.7-128.4 131.8 10.2 7.3 59.3 80 81 A V E -BD 50 189A 0 -30,-2.7 -30,-2.6 -2,-0.4 2,-0.5 -0.938 8.4-159.4-114.5 117.8 11.2 3.7 58.4 81 82 A V E -BD 49 188A 0 107,-2.3 107,-3.6 -2,-0.6 2,-0.7 -0.833 3.2-160.8-100.0 126.9 9.8 2.2 55.2 82 83 A V E -BD 48 187A 0 -34,-2.8 -34,-1.8 -2,-0.5 2,-0.6 -0.923 13.9-147.2-106.1 112.4 9.7 -1.6 54.8 83 84 A F E -BD 47 186A 0 103,-3.4 102,-2.9 -2,-0.7 103,-1.2 -0.701 21.2-173.9 -81.8 121.0 9.5 -2.5 51.1 84 85 A C E -BD 46 184A 0 -38,-2.4 -38,-1.8 -2,-0.6 2,-0.3 -0.922 11.5-155.3-120.6 144.6 7.4 -5.6 50.6 85 86 A A E -BD 45 183A 1 98,-2.2 98,-1.9 -2,-0.4 -40,-0.2 -0.802 30.3-101.6-112.9 155.0 6.7 -7.7 47.5 86 87 A K E - D 0 182A 16 -42,-2.0 96,-0.3 -2,-0.3 3,-0.1 -0.478 23.0-143.4 -70.3 147.3 3.8 -10.0 46.8 87 88 A T S S+ 0 0 66 94,-1.8 2,-0.3 1,-0.3 -1,-0.1 0.661 83.3 11.3 -86.8 -18.4 4.7 -13.7 47.2 88 89 A A S S- 0 0 52 93,-0.4 2,-0.9 46,-0.1 -1,-0.3 -0.967 76.7-119.0-157.6 142.4 2.5 -14.8 44.3 89 90 A M - 0 0 6 -2,-0.3 2,-0.2 -3,-0.1 45,-0.1 -0.763 36.4-170.5 -90.1 104.9 0.7 -13.0 41.5 90 91 A D >> - 0 0 65 -2,-0.9 4,-1.5 1,-0.1 3,-0.6 -0.620 33.0-120.8 -93.5 153.6 -3.0 -13.8 41.9 91 92 A D H 3> S+ 0 0 97 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.826 109.6 67.5 -60.5 -32.7 -5.8 -12.9 39.4 92 93 A A H 3> S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 102.4 44.5 -54.5 -45.9 -7.5 -10.8 42.1 93 94 A W H <> S+ 0 0 23 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.910 109.7 54.2 -66.9 -43.7 -4.7 -8.3 42.2 94 95 A L H X S+ 0 0 2 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.841 108.6 51.5 -59.1 -32.6 -4.4 -8.1 38.3 95 96 A E H X S+ 0 0 77 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.922 106.3 53.7 -69.4 -45.0 -8.1 -7.3 38.3 96 97 A R H X S+ 0 0 103 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.899 107.8 50.9 -55.0 -45.9 -7.6 -4.5 40.9 97 98 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.953 113.2 42.9 -59.6 -53.1 -5.0 -2.9 38.7 98 99 A V H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.862 113.5 51.8 -65.7 -35.2 -7.0 -2.8 35.5 99 100 A D H X S+ 0 0 71 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.855 110.0 49.6 -69.6 -32.8 -10.2 -1.7 37.3 100 101 A Q H X S+ 0 0 44 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.907 108.4 53.1 -70.5 -41.0 -8.3 1.2 39.0 101 102 A E H <>S+ 0 0 6 -4,-2.3 5,-2.5 1,-0.2 6,-0.3 0.861 110.3 48.2 -61.7 -34.5 -6.9 2.2 35.6 102 103 A E H ><5S+ 0 0 102 -4,-1.7 3,-1.7 3,-0.2 5,-0.3 0.916 110.1 50.7 -71.0 -43.6 -10.4 2.3 34.2 103 104 A A H 3<5S+ 0 0 80 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.869 107.6 54.9 -60.9 -36.0 -11.7 4.3 37.1 104 105 A D T 3<5S- 0 0 54 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.478 120.9-111.1 -77.1 -2.0 -8.8 6.7 36.5 105 106 A G T < 5S+ 0 0 43 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.785 73.0 136.8 80.1 30.4 -9.9 7.1 32.9 106 107 A R < + 0 0 46 -5,-2.5 2,-0.4 313,-0.1 -4,-0.2 0.517 57.1 70.0 -86.5 -3.6 -7.1 5.4 31.0 107 108 A F - 0 0 37 -5,-0.3 -2,-0.0 -6,-0.3 4,-0.0 -0.946 52.8-169.7-120.4 135.3 -9.5 3.5 28.6 108 109 A N S S+ 0 0 148 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.655 79.4 18.6 -92.0 -18.1 -11.6 5.0 25.8 109 110 A T S > S- 0 0 50 1,-0.1 4,-1.5 0, 0.0 3,-0.2 -0.962 75.9-114.9-146.5 161.8 -13.6 1.8 25.2 110 111 A P H > S+ 0 0 97 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.881 119.5 58.1 -65.3 -34.3 -14.4 -1.4 27.0 111 112 A E H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.858 101.7 55.4 -61.1 -35.4 -12.4 -3.2 24.2 112 113 A A H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 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108.1 52.8 -62.4 -41.0 10.6 1.2 43.5 146 147 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.935 108.5 50.0 -59.4 -45.7 13.4 1.4 46.0 147 148 A G H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.900 111.9 47.0 -59.5 -42.9 15.7 2.9 43.4 148 149 A N H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.925 113.3 51.3 -62.8 -44.9 13.0 5.5 42.5 149 150 A F H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.915 105.6 51.6 -60.7 -50.8 12.5 6.2 46.2 150 151 A L H X S+ 0 0 3 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.885 113.4 44.1 -58.1 -42.2 16.1 6.8 47.2 151 152 A L H X S+ 0 0 0 -4,-1.5 4,-2.7 -5,-0.2 -1,-0.2 0.893 113.4 53.9 -70.2 -37.0 16.7 9.3 44.5 152 153 A G H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.939 110.4 42.8 -62.3 -50.8 13.4 11.0 45.3 153 154 A V H ><>S+ 0 0 2 -4,-2.8 5,-2.4 1,-0.2 3,-0.8 0.885 113.5 54.3 -64.8 -35.1 14.0 11.5 49.0 154 155 A G H ><5S+ 0 0 14 -4,-1.8 3,-1.9 -5,-0.3 -2,-0.2 0.943 106.5 51.1 -61.0 -45.2 17.5 12.6 48.1 155 156 A A H 3<5S+ 0 0 34 -4,-2.7 64,-0.3 1,-0.3 -1,-0.3 0.622 104.3 59.5 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62.5 195 196 A V T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.2 5,-0.1 0.751 122.7 62.4 -63.1 -21.1 26.8 15.4 62.7 196 197 A E T 3 S+ 0 0 136 1,-0.1 2,-2.1 2,-0.0 -1,-0.3 0.622 70.2 109.4 -78.7 -14.8 28.3 11.9 63.5 197 198 A D X + 0 0 3 -3,-1.7 3,-1.8 -183,-0.2 4,-0.3 -0.430 45.7 179.5 -67.1 85.2 27.2 10.5 60.2 198 199 A F G >> S+ 0 0 120 -2,-2.1 3,-1.7 1,-0.3 4,-1.1 0.765 71.4 70.0 -58.3 -31.5 30.7 10.3 58.7 199 200 A N G 34 S+ 0 0 10 1,-0.3 -1,-0.3 2,-0.2 -188,-0.1 0.615 84.2 72.7 -66.5 -9.8 29.5 8.8 55.5 200 201 A A G <4 S+ 0 0 29 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.773 106.5 34.8 -73.8 -25.2 28.0 12.2 54.7 201 202 A T T <4 S+ 0 0 121 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.2 0.645 92.4 101.3-103.7 -19.6 31.5 13.5 54.1 202 203 A L S < S- 0 0 29 -4,-1.1 121,-0.1 1,-0.1 120,-0.1 -0.440 81.8-104.0 -68.5 140.1 33.4 10.5 52.5 203 204 A P - 0 0 61 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.301 36.3-108.2 -64.3 146.4 33.7 10.8 48.7 204 205 A K - 0 0 44 -197,-0.2 2,-0.4 -3,-0.1 -194,-0.0 -0.446 33.7-153.6 -73.7 148.5 31.4 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102.4 53.9 -64.4 -38.3 24.6 13.0 32.4 246 30 B I H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.855 107.6 53.0 -67.8 -29.6 22.5 9.9 31.8 247 31 B K H X S+ 0 0 18 -4,-0.9 4,-2.5 -5,-0.2 -1,-0.2 0.889 106.2 53.0 -69.5 -36.7 25.8 7.9 31.9 248 32 B T H X S+ 0 0 31 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.893 106.7 53.4 -63.4 -39.6 26.5 9.5 35.3 249 33 B L H < S+ 0 0 0 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.900 109.7 47.2 -60.7 -44.3 23.1 8.4 36.5 250 34 B L H >< S+ 0 0 0 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.947 115.0 46.9 -61.9 -48.6 23.8 4.8 35.6 251 35 B Q H 3< S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 -44,-0.2 0.856 112.2 46.8 -63.1 -41.3 27.2 4.9 37.2 252 36 B Y T 3< S+ 0 0 51 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.346 75.5 124.0 -91.6 10.1 26.2 6.5 40.5 253 37 B S < - 0 0 0 -3,-0.8 7,-0.1 -4,-0.5 109,-0.1 -0.355 64.4-117.5 -63.5 145.5 23.2 4.4 41.5 254 38 B P + 0 0 6 0, 0.0 2,-0.3 0, 0.0 111,-0.1 -0.293 36.2 178.7 -78.3 175.0 23.6 2.8 44.9 255 39 B S > - 0 0 17 -93,-0.1 3,-2.6 106,-0.1 100,-0.1 -0.948 43.2 -67.7-168.3 156.5 23.6 -1.0 45.3 256 40 B S G > S- 0 0 19 1,-0.3 3,-2.2 -2,-0.3 4,-0.1 -0.340 122.0 -8.7 -55.4 127.2 24.0 -3.5 48.1 257 41 B T G 3 S- 0 0 33 1,-0.3 -1,-0.3 2,-0.1 80,-0.1 0.638 117.0 -80.5 55.9 18.1 27.7 -3.3 49.4 258 42 B N G < S+ 0 0 17 -3,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.864 85.0 155.7 58.4 34.8 28.3 -1.0 46.4 259 43 B S < - 0 0 0 -3,-2.2 3,-0.1 1,-0.1 -2,-0.1 0.694 28.7-164.7 -66.6 -20.6 28.6 -4.2 44.4 260 44 B Q - 0 0 0 1,-0.2 2,-2.4 -7,-0.1 -1,-0.1 0.834 10.4-177.9 33.9 53.3 27.6 -2.4 41.1 261 45 B P + 0 0 0 0, 0.0 42,-1.9 0, 0.0 2,-0.3 -0.216 42.8 97.9 -75.6 53.6 26.9 -5.9 39.5 262 46 B W E - J 0 302C 0 -2,-2.4 2,-0.3 40,-0.2 40,-0.2 -0.851 50.5-164.9-142.6 171.3 26.1 -4.3 36.2 263 47 B H E - J 0 301C 16 38,-1.8 38,-2.4 -2,-0.3 2,-0.4 -0.975 17.3-151.3-150.9 147.6 27.0 -3.3 32.7 264 48 B F E -hJ 213 300C 0 -52,-3.0 -50,-2.5 -2,-0.3 2,-0.6 -0.977 7.4-154.7-129.4 138.7 25.2 -0.9 30.4 265 49 B I E -hJ 214 299C 4 34,-1.9 34,-2.8 -2,-0.4 2,-0.7 -0.952 13.2-165.7-107.1 123.6 24.9 -0.7 26.6 266 50 B V E -hJ 215 298C 3 -52,-3.1 -50,-2.4 -2,-0.6 2,-0.6 -0.902 7.4-170.2-113.6 101.0 24.2 2.8 25.5 267 51 B A E + J 0 297C 0 30,-2.9 30,-3.0 -2,-0.7 -52,-0.1 -0.824 26.0 147.4 -97.1 122.1 23.1 2.7 21.9 268 52 B S + 0 0 47 -52,-2.8 2,-0.2 -2,-0.6 -1,-0.1 0.473 48.3 87.1-127.4 -11.8 22.7 6.1 20.1 269 53 B T S > S- 0 0 63 -53,-0.8 4,-2.7 1,-0.1 5,-0.3 -0.537 84.3-115.4 -87.2 160.7 23.7 5.3 16.5 270 54 B E H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.933 117.4 44.0 -60.9 -46.7 21.1 4.0 14.0 271 55 B E H > S+ 0 0 159 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 113.0 52.9 -64.6 -43.1 22.9 0.6 13.6 272 56 B G H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.933 113.1 42.3 -58.3 -47.7 23.4 0.4 17.3 273 57 B K H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.882 112.3 54.7 -67.4 -37.3 19.7 1.0 18.1 274 58 B A H X S+ 0 0 42 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.2 0.868 105.9 53.4 -63.8 -35.1 18.7 -1.3 15.2 275 59 B R H >< S+ 0 0 80 -4,-2.3 3,-0.5 2,-0.2 4,-0.3 0.891 111.3 44.4 -66.6 -40.1 20.8 -4.1 16.8 276 60 B V H >< S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.2 -2,-0.2 0.914 107.2 60.8 -68.4 -41.8 19.0 -3.7 20.1 277 61 B A H >< S+ 0 0 3 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.657 83.6 79.6 -59.1 -18.7 15.7 -3.5 18.3 278 62 B K T << S+ 0 0 111 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.813 85.1 62.9 -59.4 -27.7 16.4 -7.0 17.0 279 63 B S T < S+ 0 0 0 -3,-2.2 105,-2.5 -4,-0.3 2,-1.4 0.648 81.6 80.9 -72.5 -15.3 15.2 -8.2 20.4 280 64 B A S < S+ 0 0 3 -3,-1.9 -1,-0.2 103,-0.2 8,-0.2 -0.352 71.4 135.7 -88.0 55.7 11.8 -6.7 19.8 281 65 B A > + 0 0 42 -2,-1.4 3,-2.0 -3,-0.1 5,-0.1 -0.412 50.3 9.0 -97.2 174.5 10.7 -9.8 17.8 282 66 B G G > S- 0 0 64 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 -0.286 136.4 -10.7 57.9-136.2 7.6 -11.8 17.8 283 67 B T G > S+ 0 0 92 1,-0.3 3,-1.0 2,-0.1 -1,-0.3 0.669 127.6 75.9 -68.9 -15.7 4.8 -10.3 19.9 284 68 B Y G X + 0 0 29 -3,-2.0 3,-2.3 1,-0.2 4,-0.3 0.398 62.0 102.4 -76.6 4.8 7.3 -7.8 21.2 285 69 B V G X> + 0 0 78 -3,-1.4 3,-1.6 1,-0.3 4,-0.5 0.753 63.4 75.4 -60.4 -22.5 7.2 -5.9 18.0 286 70 B F G <4 S+ 0 0 113 -3,-1.0 -1,-0.3 1,-0.3 4,-0.2 0.629 98.1 47.4 -65.4 -9.9 5.0 -3.4 19.7 287 71 B N G <> S+ 0 0 8 -3,-2.3 4,-1.3 95,-0.2 -1,-0.3 0.434 87.1 90.6-107.2 -3.3 8.2 -2.2 21.4 288 72 B E H <> S+ 0 0 77 -3,-1.6 4,-1.9 -4,-0.3 3,-0.3 0.920 83.8 50.4 -60.0 -49.2 10.3 -2.0 18.2 289 73 B R H X S+ 0 0 141 -4,-0.5 4,-3.3 1,-0.2 5,-0.3 0.849 104.9 58.2 -60.4 -36.1 9.6 1.6 17.2 290 74 B K H > S+ 0 0 11 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.904 109.7 44.6 -60.4 -41.2 10.4 2.9 20.7 291 75 B M H < S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.853 118.1 44.1 -71.4 -35.9 13.9 1.4 20.4 292 76 B L H < S+ 0 0 45 -4,-1.9 -2,-0.2 1,-0.1 -3,-0.2 0.898 117.6 41.2 -76.9 -41.7 14.4 2.7 16.9 293 77 B D H < S+ 0 0 23 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.721 91.6 96.7 -82.0 -24.5 13.0 6.2 17.4 294 78 B A S < S- 0 0 0 -4,-1.4 114,-0.2 -5,-0.3 3,-0.1 -0.178 74.7-128.1 -62.9 161.2 14.5 7.1 20.7 295 79 B S S S+ 0 0 1 112,-1.3 2,-0.4 1,-0.3 113,-0.2 0.955 91.3 13.8 -74.7 -54.7 17.7 9.1 20.9 296 80 B H E - K 0 407C 22 111,-2.1 111,-3.0 109,-0.0 2,-0.5 -0.985 67.7-158.0-126.3 135.4 19.7 6.8 23.2 297 81 B V E -JK 267 406C 0 -30,-3.0 -30,-2.9 -2,-0.4 2,-0.5 -0.957 9.1-159.0-117.8 116.5 18.7 3.3 24.2 298 82 B V E -JK 266 405C 0 107,-2.2 107,-3.4 -2,-0.5 2,-0.7 -0.826 3.7-159.4 -99.6 125.7 20.1 1.8 27.4 299 83 B V E -JK 265 404C 0 -34,-2.8 -34,-1.9 -2,-0.5 2,-0.5 -0.917 13.7-148.1-103.8 114.0 20.3 -1.9 27.9 300 84 B F E -JK 264 403C 0 103,-3.4 102,-2.8 -2,-0.7 103,-1.2 -0.740 21.4-174.7 -83.2 121.8 20.6 -2.7 31.6 301 85 B C E -JK 263 401C 0 -38,-2.4 -38,-1.8 -2,-0.5 2,-0.3 -0.915 14.4-152.4-122.7 147.7 22.6 -5.8 32.2 302 86 B A E -JK 262 400C 2 98,-2.2 98,-1.7 -2,-0.3 -40,-0.2 -0.816 30.2-104.7-112.1 153.4 23.4 -7.8 35.4 303 87 B K E - K 0 399C 18 -42,-1.9 96,-0.3 -2,-0.3 3,-0.1 -0.450 23.0-140.0 -70.5 152.9 26.5 -9.9 36.0 304 88 B T S S+ 0 0 65 94,-1.8 2,-0.3 1,-0.3 -1,-0.1 0.658 83.3 12.4 -90.1 -17.7 25.7 -13.7 35.7 305 89 B A S S- 0 0 54 93,-0.4 2,-0.8 46,-0.1 -1,-0.3 -0.968 76.1-120.1-157.4 140.9 27.9 -14.6 38.6 306 90 B M - 0 0 7 -2,-0.3 2,-0.2 -3,-0.1 45,-0.1 -0.765 35.5-167.8 -89.2 110.4 29.6 -12.7 41.4 307 91 B D >> - 0 0 63 -2,-0.8 4,-1.7 1,-0.1 3,-0.5 -0.661 31.3-121.7 -97.9 152.6 33.4 -13.3 41.1 308 92 B D H 3> S+ 0 0 98 -2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.861 111.0 64.3 -57.9 -37.3 36.0 -12.4 43.7 309 93 B A H 3> S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 104.5 45.2 -53.4 -45.4 37.8 -10.3 41.1 310 94 B W H <> S+ 0 0 23 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.901 111.3 52.5 -67.0 -40.7 34.8 -8.0 40.9 311 95 B L H X S+ 0 0 4 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.895 111.2 46.5 -62.7 -40.5 34.5 -7.8 44.7 312 96 B E H X S+ 0 0 69 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.868 107.9 59.1 -68.7 -35.7 38.2 -6.8 45.1 313 97 B R H X S+ 0 0 91 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.933 104.8 49.4 -57.2 -47.0 37.6 -4.3 42.3 314 98 B V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.940 114.5 42.2 -60.8 -49.2 35.0 -2.6 44.3 315 99 B V H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.855 113.8 52.3 -68.6 -33.2 37.0 -2.3 47.5 316 100 B D H X S+ 0 0 69 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.828 110.1 49.1 -71.5 -30.4 40.2 -1.3 45.7 317 101 B Q H X S+ 0 0 44 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.922 110.6 49.7 -73.0 -43.9 38.3 1.5 43.9 318 102 B E H <>S+ 0 0 7 -4,-2.3 5,-2.4 2,-0.2 6,-0.3 0.891 112.4 48.3 -61.3 -38.6 36.8 2.7 47.2 319 103 B E H ><5S+ 0 0 95 -4,-2.2 3,-2.3 1,-0.2 5,-0.3 0.958 110.8 50.2 -64.4 -49.7 40.3 2.7 48.6 320 104 B A H 3<5S+ 0 0 77 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.838 108.0 55.0 -56.9 -33.0 41.6 4.5 45.6 321 105 B D T 3<5S- 0 0 56 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.363 119.5-111.1 -83.4 6.3 38.8 7.0 46.1 322 106 B G T < 5S+ 0 0 44 -3,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.813 73.8 135.9 72.2 32.3 39.9 7.7 49.6 323 107 B R < + 0 0 39 -5,-2.4 2,-0.6 1,-0.1 -4,-0.2 0.629 58.2 70.8 -86.2 -9.9 37.0 6.1 51.5 324 108 B F + 0 0 38 -6,-0.3 -1,-0.1 -5,-0.3 -2,-0.1 -0.911 50.4 179.6-114.1 113.7 39.3 4.4 54.0 325 109 B N S S+ 0 0 137 -2,-0.6 -1,-0.1 1,-0.1 -2,-0.0 0.741 77.9 21.2 -78.3 -25.4 41.1 6.5 56.6 326 110 B T S > S- 0 0 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T > - 0 0 73 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.454 27.5-109.5 -82.8 163.9 15.7 54.8 -6.8 674 24 D A H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.881 123.1 53.2 -60.7 -36.1 19.3 53.5 -6.3 675 25 D E H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.848 108.1 49.7 -67.4 -34.2 18.9 54.2 -2.6 676 26 D E H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.841 106.6 55.5 -73.3 -32.6 15.7 52.1 -2.5 677 27 D A H X S+ 0 0 13 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.890 110.1 46.1 -66.3 -38.9 17.4 49.2 -4.3 678 28 D E H X S+ 0 0 87 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.858 111.0 53.2 -71.5 -35.2 20.0 49.1 -1.6 679 29 D K H X S+ 0 0 51 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.894 107.1 49.7 -68.8 -39.7 17.4 49.4 1.1 680 30 D I H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.846 110.3 51.9 -68.8 -28.9 15.4 46.4 -0.1 681 31 D K H X S+ 0 0 18 -4,-1.2 4,-2.4 -5,-0.2 -1,-0.2 0.879 106.9 53.5 -71.8 -35.0 18.6 44.4 -0.3 682 32 D T H X S+ 0 0 29 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.889 106.2 53.0 -64.7 -38.6 19.3 45.4 3.3 683 33 D L H < S+ 0 0 0 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.915 110.0 47.5 -62.1 -44.3 15.9 44.1 4.3 684 34 D L H >< S+ 0 0 0 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.943 114.7 46.9 -61.9 -47.4 16.6 40.7 2.7 685 35 D Q H 3< S+ 0 0 20 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.872 112.9 46.3 -63.9 -41.9 20.0 40.5 4.3 686 36 D Y T 3< S+ 0 0 55 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.318 76.7 124.2 -91.3 10.4 19.0 41.4 7.9 687 37 D S < - 0 0 0 -3,-0.8 109,-0.1 -4,-0.5 7,-0.1 -0.368 65.0-115.5 -64.4 147.0 16.0 39.3 8.3 688 38 D P + 0 0 7 0, 0.0 2,-0.3 0, 0.0 111,-0.1 -0.316 36.5 179.4 -78.7 171.4 16.3 37.0 11.4 689 39 D S > - 0 0 16 -93,-0.1 3,-2.8 106,-0.1 100,-0.1 -0.944 42.4 -72.2-166.5 152.2 16.4 33.2 11.0 690 40 D S G > S- 0 0 19 1,-0.3 3,-2.2 -2,-0.3 4,-0.1 -0.314 121.1 -6.4 -54.7 127.5 16.8 30.2 13.4 691 41 D T G 3 S- 0 0 37 1,-0.3 -1,-0.3 2,-0.1 80,-0.1 0.640 118.2 -80.9 58.0 16.9 20.4 30.1 14.7 692 42 D N G < S+ 0 0 18 -3,-2.8 -1,-0.3 1,-0.1 -2,-0.2 0.844 84.9 156.7 58.3 33.4 21.0 33.0 12.2 693 43 D S < - 0 0 0 -3,-2.2 3,-0.1 1,-0.1 -2,-0.1 0.725 28.4-164.2 -62.9 -25.0 21.3 30.1 9.7 694 44 D Q - 0 0 0 1,-0.2 2,-1.7 -7,-0.1 -1,-0.1 0.868 11.3-179.3 37.0 56.9 20.4 32.5 6.8 695 45 D P + 0 0 0 0, 0.0 42,-2.1 0, 0.0 2,-0.3 -0.211 43.0 99.3 -80.5 49.8 19.7 29.5 4.5 696 46 D W E - X 0 736G 0 -2,-1.7 2,-0.3 40,-0.2 40,-0.2 -0.832 50.2-166.1-138.6 168.6 18.8 31.7 1.6 697 47 D H E - X 0 735G 17 38,-1.9 38,-2.6 -2,-0.3 2,-0.4 -0.976 17.3-150.8-149.4 145.0 19.8 33.3 -1.7 698 48 D F E -vX 647 734G 0 -52,-3.0 -50,-3.0 -2,-0.3 2,-0.6 -0.972 7.0-157.0-127.1 134.9 18.0 36.1 -3.5 699 49 D I E -vX 648 733G 2 34,-1.7 34,-2.9 -2,-0.4 2,-0.7 -0.939 12.4-166.1-104.3 123.6 17.9 36.9 -7.2 700 50 D V E -vX 649 732G 3 -52,-2.7 -50,-2.2 -2,-0.6 2,-0.6 -0.891 6.1-168.3-114.7 99.0 17.1 40.6 -7.7 701 51 D A E + X 0 731G 0 30,-2.8 30,-2.1 -2,-0.7 -52,-0.1 -0.793 26.0 148.6 -92.6 119.7 16.1 41.2 -11.3 702 52 D S + 0 0 48 -52,-3.3 -1,-0.2 -2,-0.6 2,-0.1 0.541 47.9 85.8-123.1 -17.9 15.8 44.8 -12.4 703 53 D T S > S- 0 0 66 -53,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.490 85.1-116.4 -82.8 158.9 16.8 44.7 -16.1 704 54 D E H > S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.932 116.6 47.5 -61.0 -45.2 14.1 44.0 -18.7 705 55 D E H > S+ 0 0 158 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 110.5 53.3 -63.0 -39.2 15.8 40.7 -19.7 706 56 D G H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.937 111.9 42.8 -61.8 -48.1 16.2 39.7 -16.1 707 57 D K H X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.855 111.3 55.2 -67.7 -35.3 12.6 40.1 -15.3 708 58 D A H X S+ 0 0 43 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.884 106.8 52.7 -64.5 -35.8 11.5 38.5 -18.6 709 59 D R H >< S+ 0 0 80 -4,-2.0 3,-0.6 2,-0.2 4,-0.2 0.897 111.7 43.9 -66.4 -40.7 13.6 35.5 -17.6 710 60 D V H >< S+ 0 0 0 -4,-1.7 3,-2.3 1,-0.2 4,-0.2 0.917 107.4 61.2 -69.0 -40.2 11.9 35.3 -14.2 711 61 D A H >< S+ 0 0 3 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.661 84.2 78.4 -59.8 -18.3 8.5 35.8 -16.0 712 62 D K T << S+ 0 0 115 -4,-0.7 -1,-0.3 -3,-0.6 3,-0.2 0.783 85.4 63.3 -61.6 -24.4 9.1 32.6 -17.9 713 63 D S T < S+ 0 0 0 -3,-2.3 105,-2.5 -4,-0.2 2,-1.3 0.662 80.9 79.9 -74.8 -17.0 8.1 30.8 -14.7 714 64 D A S < S+ 0 0 3 -3,-1.6 8,-0.3 -4,-0.2 -1,-0.2 -0.289 74.6 154.1 -85.3 51.3 4.6 32.3 -15.0 715 65 D A > - 0 0 38 -2,-1.3 3,-1.9 -3,-0.2 4,-0.2 -0.357 52.1 -27.7 -83.5 159.4 3.7 29.7 -17.5 716 66 D G G > S+ 0 0 67 1,-0.3 3,-1.8 2,-0.2 4,-0.1 -0.112 138.1 16.7 42.6-112.8 0.4 28.2 -18.5 717 67 D T G > S+ 0 0 88 1,-0.3 3,-0.9 2,-0.1 -1,-0.3 0.891 126.5 57.2 -52.4 -47.1 -1.9 28.4 -15.4 718 68 D Y G X + 0 0 24 -3,-1.9 3,-2.3 1,-0.2 4,-0.3 0.306 69.9 107.9 -73.0 10.3 0.3 30.9 -13.8 719 69 D V G X> + 0 0 82 -3,-1.8 3,-1.2 1,-0.3 4,-0.5 0.737 63.6 76.3 -61.3 -19.2 0.1 33.4 -16.6 720 70 D F G <4 S+ 0 0 113 -3,-0.9 -1,-0.3 1,-0.3 4,-0.2 0.625 99.1 43.8 -67.4 -9.9 -2.1 35.5 -14.4 721 71 D N G <> S+ 0 0 9 -3,-2.3 4,-1.4 95,-0.2 -1,-0.3 0.427 87.6 93.8-110.4 -3.6 1.1 36.5 -12.6 722 72 D E H <> S+ 0 0 77 -3,-1.2 4,-1.6 -4,-0.3 3,-0.4 0.920 83.8 48.9 -56.9 -49.9 3.2 37.1 -15.7 723 73 D R H X S+ 0 0 163 -4,-0.5 4,-3.0 1,-0.2 5,-0.3 0.874 104.4 60.1 -60.6 -37.2 2.5 40.9 -16.0 724 74 D K H > S+ 0 0 13 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.907 108.5 45.3 -56.4 -41.8 3.3 41.5 -12.3 725 75 D M H < S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.833 116.9 43.5 -71.7 -34.3 6.8 40.1 -12.9 726 76 D L H < S+ 0 0 53 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.881 117.3 43.1 -78.9 -40.5 7.4 42.1 -16.1 727 77 D D H < S+ 0 0 23 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.722 89.4 95.4 -82.5 -23.8 6.0 45.4 -15.0 728 78 D A S < S- 0 0 0 -4,-1.4 114,-0.2 -5,-0.3 3,-0.1 -0.311 76.1-126.8 -67.1 154.3 7.5 45.8 -11.5 729 79 D S S S+ 0 0 4 112,-0.6 2,-0.4 -59,-0.3 113,-0.2 0.962 92.6 13.1 -63.9 -54.3 10.7 47.8 -11.1 730 80 D H E - Y 0 841G 23 111,-2.5 111,-4.2 -23,-0.0 2,-0.5 -0.958 66.9-158.5-126.7 143.9 12.5 45.0 -9.2 731 81 D V E -XY 701 840G 0 -30,-2.1 -30,-2.8 -2,-0.4 2,-0.5 -0.986 9.2-157.8-126.5 119.7 11.6 41.4 -8.8 732 82 D V E -XY 700 839G 0 107,-2.3 107,-3.2 -2,-0.5 2,-0.7 -0.858 2.3-158.1-102.2 126.1 13.0 39.4 -5.9 733 83 D V E -XY 699 838G 0 -34,-2.9 -34,-1.7 -2,-0.5 2,-0.6 -0.908 11.7-149.7-104.9 111.5 13.2 35.6 -6.1 734 84 D F E -XY 698 837G 0 103,-3.0 102,-2.9 -2,-0.7 103,-1.3 -0.723 21.2-176.3 -81.9 117.4 13.4 34.2 -2.6 735 85 D C E -XY 697 835G 0 -38,-2.6 -38,-1.9 -2,-0.6 2,-0.3 -0.890 14.8-151.4-118.0 147.8 15.4 30.9 -2.7 736 86 D A E -XY 696 834G 2 98,-2.2 98,-1.7 -2,-0.3 -40,-0.2 -0.843 31.9-101.5-112.4 150.6 16.2 28.4 0.0 737 87 D K E - Y 0 833G 16 -42,-2.1 96,-0.3 -2,-0.3 3,-0.1 -0.392 25.4-137.4 -63.8 151.9 19.3 26.2 0.1 738 88 D T S S+ 0 0 66 94,-1.6 2,-0.3 1,-0.3 -1,-0.1 0.597 85.4 11.8 -88.1 -13.2 18.4 22.7 -1.0 739 89 D A S S- 0 0 51 93,-0.4 2,-1.0 46,-0.1 -1,-0.3 -0.936 76.3-120.4-162.5 138.2 20.5 21.1 1.8 740 90 D M - 0 0 7 -2,-0.3 2,-0.2 -3,-0.1 38,-0.0 -0.739 36.8-170.3 -88.1 103.9 22.1 22.4 4.9 741 91 D D >> - 0 0 64 -2,-1.0 4,-1.6 1,-0.1 3,-0.7 -0.601 32.4-121.3 -92.8 154.0 25.8 21.7 4.6 742 92 D D H 3> S+ 0 0 95 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.855 109.7 65.8 -59.9 -37.5 28.4 22.1 7.3 743 93 D A H 3> S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.863 103.4 46.1 -53.9 -39.5 30.4 24.5 5.2 744 94 D W H <> S+ 0 0 22 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.925 110.8 51.0 -71.5 -43.8 27.5 27.0 5.4 745 95 D L H X S+ 0 0 2 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.865 109.7 52.2 -60.1 -35.0 27.1 26.6 9.1 746 96 D E H X S+ 0 0 76 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.911 106.5 53.8 -66.6 -42.9 30.8 27.2 9.4 747 97 D R H X S+ 0 0 99 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.910 106.3 52.6 -57.7 -45.5 30.4 30.4 7.4 748 98 D V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.948 112.2 42.7 -58.4 -51.9 27.7 31.7 9.7 749 99 D V H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.873 113.7 51.7 -66.1 -36.4 29.7 31.3 12.9 750 100 D D H X S+ 0 0 63 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.837 109.7 50.5 -69.3 -30.4 32.9 32.7 11.3 751 101 D Q H X S+ 0 0 42 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.912 108.0 52.4 -71.6 -41.7 31.0 35.7 10.1 752 102 D E H <>S+ 0 0 6 -4,-2.3 5,-2.3 1,-0.2 6,-0.3 0.862 110.0 50.0 -61.3 -34.2 29.6 36.3 13.6 753 103 D E H ><5S+ 0 0 102 -4,-1.7 3,-1.9 1,-0.2 5,-0.3 0.931 108.8 49.9 -68.9 -46.2 33.1 36.1 15.0 754 104 D A H 3<5S+ 0 0 80 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.817 108.9 55.1 -61.9 -29.6 34.5 38.7 12.4 755 105 D D T 3<5S- 0 0 56 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.385 119.4-111.2 -85.1 3.1 31.5 40.9 13.4 756 106 D G T < 5S+ 0 0 43 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.807 73.5 134.3 75.0 33.9 32.5 40.8 17.1 757 107 D R < + 0 0 43 -5,-2.3 2,-0.5 -121,-0.1 -4,-0.2 0.566 58.4 69.7 -89.7 -8.1 29.7 38.8 18.6 758 108 D F - 0 0 39 -6,-0.3 -1,-0.1 -5,-0.3 -2,-0.1 -0.946 51.4-174.0-118.0 126.5 32.0 36.5 20.7 759 109 D N S S+ 0 0 146 -2,-0.5 -1,-0.1 1,-0.1 3,-0.0 0.760 78.5 20.5 -82.1 -29.7 34.0 37.7 23.7 760 110 D T S > S- 0 0 64 1,-0.1 4,-1.4 0, 0.0 5,-0.1 -0.889 79.1-112.2-136.6 165.6 35.8 34.4 24.1 761 111 D P H > S+ 0 0 102 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.878 118.0 58.1 -66.1 -35.0 36.7 31.3 22.0 762 112 D E H > S+ 0 0 136 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.881 100.8 55.4 -61.1 -39.1 34.4 29.3 24.2 763 113 D A H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 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