==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-MAY-03 1PEO . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 2 ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR M.UPPSTEN,M.FARNEGARDH,A.JORDAN,R.ELIASSON,H.EKLUND,U.UHLIN . 680 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27568.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 37 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.9 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 4 3 2 2 2 0 4 2 1 3 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 PARALLEL BRIDGES PER LADDER . 4 3 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 1 1 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 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 12 A E 0 0 239 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 18.3 44.7 -1.3 99.4 2 13 A T + 0 0 79 1,-0.0 30,-0.1 3,-0.0 0, 0.0 -0.882 360.0 165.4-151.0 118.9 42.9 1.5 101.7 3 14 A M + 0 0 91 -2,-0.3 2,-0.9 32,-0.0 3,-0.1 -0.090 31.2 117.9-135.2 35.6 40.6 0.2 104.3 4 15 A D > - 0 0 78 1,-0.2 4,-2.6 2,-0.1 5,-0.1 -0.889 35.0-178.8-101.6 103.1 39.9 3.0 106.7 5 16 A Y H > S+ 0 0 16 -2,-0.9 4,-3.2 2,-0.2 -1,-0.2 0.837 81.4 56.0 -72.5 -30.8 36.2 3.5 106.3 6 17 A H H > S+ 0 0 6 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.989 109.6 45.6 -63.4 -58.0 36.3 6.4 108.8 7 18 A A H > S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.963 113.0 50.4 -42.4 -60.4 38.9 8.2 106.8 8 19 A L H >< S+ 0 0 6 -4,-2.6 3,-0.9 1,-0.2 4,-0.3 0.923 112.0 48.6 -49.1 -46.2 36.9 7.5 103.7 9 20 A N H >< S+ 0 0 1 -4,-3.2 3,-2.8 1,-0.3 -1,-0.2 0.919 102.7 61.4 -53.5 -51.3 33.9 8.9 105.6 10 21 A A H >< S+ 0 0 38 -4,-3.2 3,-2.6 1,-0.3 -1,-0.3 0.749 89.3 74.0 -46.7 -30.3 35.8 11.9 106.6 11 22 A M G X< S+ 0 0 54 -4,-1.4 3,-1.5 -3,-0.9 11,-0.4 0.756 78.8 69.6 -70.6 -16.6 36.2 12.7 103.0 12 23 A L G < S+ 0 0 2 -3,-2.8 -1,-0.3 -4,-0.3 -2,-0.2 0.713 90.2 67.0 -68.0 -14.0 32.6 13.7 102.7 13 24 A N G < S+ 0 0 81 -3,-2.6 2,-0.4 -4,-0.2 -1,-0.3 0.076 85.4 92.4 -92.8 21.1 33.7 16.6 104.8 14 25 A L < - 0 0 90 -3,-1.5 2,-0.3 8,-0.0 8,-0.3 -0.910 55.6-160.7-117.7 139.4 35.9 18.0 102.1 15 26 A Y - 0 0 148 -2,-0.4 2,-0.2 6,-0.1 6,-0.2 -0.947 14.0-141.3-116.5 143.8 35.1 20.6 99.4 16 27 A D > - 0 0 81 4,-1.4 3,-3.8 -2,-0.3 4,-0.3 -0.575 44.3 -79.9-100.0 168.3 37.1 21.1 96.2 17 28 A K T 3 S+ 0 0 227 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.656 134.3 49.0 -43.7 -17.1 38.0 24.3 94.5 18 29 A A T 3 S- 0 0 58 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.196 117.1-107.9-111.8 19.7 34.5 24.1 93.1 19 30 A G S < S+ 0 0 35 -3,-3.8 2,-0.3 1,-0.2 -2,-0.1 0.847 75.4 131.0 61.3 39.7 32.5 23.5 96.2 20 31 A H - 0 0 71 -4,-0.3 -4,-1.4 594,-0.0 2,-0.4 -0.804 47.5-128.8-121.2 163.1 31.7 19.9 95.4 21 32 A I - 0 0 6 -2,-0.3 2,-2.3 -6,-0.2 590,-0.3 -0.931 15.1-126.5-124.5 138.8 32.0 16.7 97.3 22 33 A Q >> + 0 0 99 -2,-0.4 3,-1.6 -11,-0.4 4,-0.5 -0.358 37.4 169.1 -69.2 65.2 33.5 13.2 96.7 23 34 A F H >> + 0 0 39 -2,-2.3 3,-1.5 1,-0.3 4,-0.7 0.842 69.7 64.3 -51.5 -35.3 30.2 11.4 97.5 24 35 A D H >> S+ 0 0 134 1,-0.3 4,-2.5 2,-0.2 3,-1.0 0.858 85.0 72.9 -60.0 -32.9 31.7 8.2 96.2 25 36 A K H <> S+ 0 0 47 -3,-1.6 4,-1.2 1,-0.3 -1,-0.3 0.837 93.7 56.1 -56.1 -25.1 34.2 8.2 98.9 26 37 A D H X S+ 0 0 7 -4,-2.0 4,-2.7 1,-0.2 3,-0.7 0.976 110.2 51.3 -53.5 -58.8 30.7 1.1 103.2 31 42 A D H 3X S+ 0 0 92 -4,-2.2 4,-2.5 1,-0.3 5,-0.3 0.934 112.5 45.2 -42.4 -55.4 32.7 -1.4 101.2 32 43 A A H 3X S+ 0 0 5 -4,-2.6 4,-2.8 -5,-0.3 5,-0.4 0.842 109.8 57.1 -64.9 -26.3 35.7 -1.2 103.6 33 44 A F H S+ 0 0 2 -4,-2.4 4,-2.9 -3,-0.7 5,-2.1 0.985 109.0 42.6 -66.1 -54.2 33.4 -1.5 106.5 34 45 A F H <>S+ 0 0 41 -4,-2.7 5,-1.9 1,-0.2 -2,-0.2 0.940 121.9 43.1 -57.7 -38.0 31.9 -4.7 105.5 35 46 A A H <5S+ 0 0 27 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.830 121.7 33.5 -81.6 -37.8 35.2 -6.0 104.5 36 47 A T H <5S+ 0 0 66 -4,-2.8 -3,-0.2 -5,-0.3 -1,-0.2 0.822 137.8 7.5 -93.2 -17.1 37.4 -5.0 107.3 37 48 A H T <5S+ 0 0 40 -4,-2.9 4,-0.4 -5,-0.4 -3,-0.2 0.728 122.3 43.4-131.7 -48.3 34.9 -5.2 110.1 38 49 A V T >>4 - 0 0 51 1,-0.1 4,-1.8 0, 0.0 -1,-0.2 -0.981 67.5-113.4-153.6 161.5 22.3 -23.5 107.4 48 59 A Q H > S+ 0 0 48 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.938 113.5 58.5 -56.0 -47.7 19.6 -21.2 108.6 49 60 A H H > S+ 0 0 100 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.951 107.4 44.4 -59.6 -44.8 17.9 -24.2 110.3 50 61 A E H > S+ 0 0 115 2,-0.2 4,-3.1 1,-0.2 -1,-0.3 0.920 111.1 57.9 -63.0 -33.0 20.8 -24.9 112.5 51 62 A R H X S+ 0 0 15 -4,-1.8 4,-3.7 2,-0.2 5,-0.3 0.977 106.1 46.3 -62.5 -54.4 21.2 -21.1 113.1 52 63 A L H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 5,-0.4 0.972 112.3 53.4 -45.6 -59.5 17.7 -20.8 114.5 53 64 A G H X S+ 0 0 24 -4,-2.2 4,-3.2 1,-0.3 -2,-0.2 0.879 113.2 41.7 -45.4 -51.9 18.4 -23.8 116.6 54 65 A T H X S+ 0 0 19 -4,-3.1 4,-2.9 2,-0.2 6,-0.3 0.978 112.3 53.3 -63.3 -49.9 21.5 -22.4 118.0 55 66 A L H X>S+ 0 0 2 -4,-3.7 5,-1.8 1,-0.2 6,-0.9 0.956 114.8 42.1 -57.1 -45.6 20.1 -19.0 118.5 56 67 A V H ><5S+ 0 0 42 -4,-3.3 3,-1.8 -5,-0.3 -1,-0.2 0.986 114.8 51.7 -63.6 -45.5 17.2 -20.4 120.4 57 68 A R H 3<5S+ 0 0 168 -4,-3.2 -2,-0.2 -5,-0.4 -1,-0.2 0.931 110.0 46.1 -53.9 -53.1 19.4 -22.8 122.3 58 69 A E H 3<5S- 0 0 114 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.422 121.4-101.2 -77.1 3.7 22.0 -20.4 123.5 59 70 A G T <<5S+ 0 0 22 -3,-1.8 101,-0.2 -4,-0.5 -3,-0.2 0.617 92.0 104.0 94.5 9.4 19.4 -17.8 124.6 60 71 A Y S > - 0 0 45 95,-2.7 3,-2.1 -2,-0.3 4,-1.0 -0.617 17.1-162.3 -82.8 110.2 12.8 -16.2 121.4 63 74 A D H 3> S+ 0 0 78 -2,-1.0 4,-2.1 1,-0.3 -1,-0.2 0.761 81.8 75.6 -61.8 -19.3 11.3 -19.5 120.3 64 75 A A H 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.825 97.3 46.6 -67.7 -16.4 7.9 -18.5 121.2 65 76 A V H X4 S+ 0 0 20 -3,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.893 109.2 51.3 -90.9 -42.2 7.8 -16.4 118.1 66 77 A L H >< S+ 0 0 9 -4,-1.0 3,-2.0 1,-0.3 -2,-0.2 0.865 99.2 71.3 -59.4 -33.4 9.1 -19.0 115.7 67 78 A A T 3< S+ 0 0 65 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.492 82.9 67.4 -67.5 0.3 6.5 -21.3 117.1 68 79 A R T < S+ 0 0 155 -3,-1.5 2,-0.3 2,-0.1 -1,-0.3 0.383 100.1 57.7 -99.3 9.5 3.6 -19.6 115.5 69 80 A Y S < S- 0 0 16 -3,-2.0 2,-0.6 -4,-0.1 61,-0.1 -0.955 92.7-103.9-135.2 150.3 4.8 -20.6 112.1 70 81 A D >> - 0 0 129 -2,-0.3 4,-1.4 1,-0.2 3,-0.9 -0.645 40.1-127.3 -72.5 122.2 5.6 -23.8 110.4 71 82 A R H 3> S+ 0 0 81 -2,-0.6 4,-0.9 1,-0.3 5,-0.2 0.681 106.1 60.7 -44.0 -29.6 9.3 -23.8 110.4 72 83 A A H 3> S+ 0 0 55 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.969 103.1 51.6 -63.9 -49.6 9.6 -24.4 106.7 73 84 A F H <> S+ 0 0 14 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.835 106.9 56.7 -49.5 -43.5 7.7 -21.1 106.2 74 85 A V H >X S+ 0 0 2 -4,-1.4 3,-2.5 2,-0.2 4,-0.6 0.859 108.5 42.4 -54.1 -97.9 10.2 -19.6 108.4 75 86 A L H 3X S+ 0 0 48 -4,-0.9 4,-1.8 1,-0.3 5,-0.2 0.639 108.6 60.8 -11.8 -47.7 13.3 -20.5 106.4 76 87 A R H 3X S+ 0 0 143 -4,-2.9 4,-2.4 -5,-0.2 3,-0.4 0.993 107.3 47.2 -55.5 -50.7 11.5 -19.6 103.3 77 88 A L H < S+ 0 0 73 -4,-2.4 3,-1.4 -5,-0.2 4,-0.3 0.903 111.6 57.3 -58.9 -41.4 13.5 -14.4 100.5 81 92 A A H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 5,-0.3 0.968 109.2 41.1 -56.6 -60.2 14.8 -11.8 102.9 82 93 A H T 3< S+ 0 0 89 -4,-2.6 -1,-0.3 1,-0.3 3,-0.2 0.429 110.9 60.9 -70.7 1.3 18.3 -12.3 102.0 83 94 A A T < S+ 0 0 72 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.349 77.5 89.6-107.7 4.6 17.4 -12.5 98.4 84 95 A S S < S- 0 0 55 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.1 0.700 94.6-119.4 -77.0 -20.0 15.9 -9.1 98.2 85 96 A G + 0 0 60 -3,-0.2 2,-0.1 -4,-0.2 -3,-0.1 0.700 44.9 176.5 87.1 22.6 19.1 -7.3 97.2 86 97 A F + 0 0 48 -5,-0.3 2,-0.3 0, 0.0 -1,-0.2 -0.350 4.4 172.5 -61.8 130.5 19.2 -4.9 100.2 87 98 A R - 0 0 202 -2,-0.1 2,-0.4 28,-0.0 0, 0.0 -0.955 33.9-117.7-131.0 154.8 22.2 -2.6 100.5 88 99 A F - 0 0 11 -2,-0.3 490,-0.1 1,-0.1 489,-0.1 -0.758 17.9-146.1 -84.3 146.9 22.8 0.2 102.9 89 100 A Q S S+ 0 0 106 -2,-0.4 2,-0.3 488,-0.3 -1,-0.1 0.545 72.1 31.9 -85.0 -7.1 23.1 3.5 101.2 90 101 A T S > S- 0 0 4 486,-0.1 4,-1.9 487,-0.1 5,-0.2 -0.998 72.4-118.8-152.5 151.8 25.6 5.1 103.5 91 102 A F H > S+ 0 0 0 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.801 115.9 48.2 -56.8 -31.0 28.4 4.5 105.8 92 103 A L H > S+ 0 0 0 511,-0.2 4,-3.0 2,-0.2 5,-0.3 0.903 106.2 56.8 -76.1 -43.4 26.5 5.8 108.8 93 104 A G H > S+ 0 0 1 2,-0.2 4,-2.2 3,-0.2 3,-0.2 0.978 114.6 37.7 -49.0 -66.1 23.4 3.8 108.0 94 105 A A H >X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 3,-1.0 0.980 117.6 50.2 -41.9 -71.2 25.5 0.5 108.2 95 106 A W H 3X S+ 0 0 30 -4,-1.8 4,-1.8 1,-0.3 -1,-0.2 0.767 109.9 51.8 -48.1 -32.9 27.6 1.6 111.1 96 107 A K H 3X>S+ 0 0 13 -4,-3.0 4,-2.0 -3,-0.2 5,-0.7 0.935 109.0 49.4 -66.0 -49.6 24.6 2.6 113.0 97 108 A F H S+ 0 0 0 -4,-2.2 5,-3.8 -3,-1.0 4,-1.2 0.865 115.6 41.5 -63.2 -38.7 22.8 -0.7 112.6 98 109 A Y H <5S+ 0 0 5 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.798 117.3 46.8 -81.6 -28.0 25.7 -2.8 113.6 99 110 A T H <5S+ 0 0 52 -4,-1.8 -2,-0.2 -5,-0.4 -1,-0.2 0.747 135.1 7.5 -84.6 -18.4 26.8 -0.6 116.5 100 111 A S H <5S+ 0 0 64 -4,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.525 130.7 35.9-137.1 -16.2 23.5 -0.2 118.0 101 112 A Y T < - 0 0 15 5,-2.6 3,-2.7 -2,-0.2 5,-0.2 -0.361 50.0 -99.7 -69.3 158.7 26.8 -12.3 121.0 106 117 A F T 3 S+ 0 0 127 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.606 122.7 52.0 -59.1 -14.1 26.5 -11.8 124.8 107 118 A D T 3 S- 0 0 105 3,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.396 108.9-121.8-102.6 0.8 30.1 -10.9 125.1 108 119 A G S < S+ 0 0 31 -3,-2.7 -2,-0.1 2,-0.2 -3,-0.1 0.137 81.6 112.8 86.8 -17.4 30.0 -8.3 122.4 109 120 A K S S+ 0 0 165 -5,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.525 73.3 26.9 -73.1 -6.8 32.6 -9.9 120.3 110 121 A R S S- 0 0 123 -5,-0.2 -5,-2.6 -67,-0.0 2,-0.3 -0.996 70.3-118.8-157.2 151.3 30.5 -11.0 117.2 111 122 A Y B -aB 42 104A 17 -70,-2.8 -68,-2.3 -2,-0.3 -7,-0.3 -0.698 18.1-178.9 -94.0 145.2 27.5 -10.2 115.3 112 123 A L + 0 0 13 -9,-2.9 2,-0.3 -2,-0.3 -8,-0.2 0.460 64.4 52.6-119.1 -8.3 24.6 -12.6 114.9 113 124 A E - 0 0 1 -10,-0.9 2,-0.3 -15,-0.1 -11,-0.1 -0.902 54.7-163.7-128.3 160.4 22.3 -10.6 112.7 114 125 A H >> - 0 0 56 -2,-0.3 4,-2.1 -3,-0.0 3,-0.5 -0.816 50.0 -85.4-126.9 169.1 22.4 -8.7 109.5 115 126 A F H 3> S+ 0 0 6 -2,-0.3 4,-2.1 1,-0.2 -28,-0.0 0.836 126.5 45.6 -46.9 -41.1 19.8 -6.2 108.4 116 127 A E H 3> S+ 0 0 26 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.818 106.1 57.8 -80.9 -25.0 17.5 -8.8 106.8 117 128 A D H <> S+ 0 0 9 -3,-0.5 4,-3.1 2,-0.2 5,-0.3 0.970 111.8 44.3 -62.0 -49.3 17.6 -11.2 109.7 118 129 A R H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.908 111.5 52.6 -62.4 -42.4 16.4 -8.3 111.9 119 130 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.964 111.2 48.2 -54.3 -50.9 13.9 -7.4 109.3 120 131 A T H X S+ 0 0 0 -4,-3.2 4,-3.6 1,-0.3 -2,-0.2 0.915 110.2 48.4 -55.5 -61.6 12.6 -11.1 109.3 121 132 A M H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -1,-0.3 0.877 111.6 51.7 -50.5 -38.6 12.3 -11.5 113.0 122 133 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 5,-0.3 0.984 112.1 46.3 -62.6 -51.8 10.4 -8.2 113.1 123 134 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.894 113.3 49.4 -53.1 -42.7 8.1 -9.4 110.4 124 135 A L H X>S+ 0 0 0 -4,-3.6 4,-0.8 -5,-0.2 5,-0.6 0.987 111.1 49.8 -66.5 -45.2 7.7 -12.6 112.1 125 136 A T H ><5S+ 0 0 14 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.923 114.4 40.4 -58.2 -50.3 6.9 -11.0 115.4 126 137 A L H 3<5S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.823 108.7 60.3 -72.6 -24.8 4.3 -8.6 114.3 127 138 A A H ><5S- 0 0 6 -4,-1.9 3,-3.5 -5,-0.3 -1,-0.3 0.586 86.3-156.8 -82.4 -9.4 2.6 -11.0 111.9 128 139 A Q T <<5S- 0 0 69 -3,-1.0 -3,-0.1 -4,-0.8 3,-0.1 0.771 73.4 -34.4 42.4 38.2 1.9 -13.2 114.8 129 140 A G T 3 - 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0 0 3 -4,-1.2 -40,-0.0 1,-0.1 -41,-0.0 -0.933 360.0-173.4-118.5 103.4 15.0 21.5 137.3 266 284 A K S S+ 0 0 134 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.663 72.5 22.5 -82.7 -16.0 17.8 20.3 135.1 267 285 A T S S+ 0 0 31 2,-0.1 -23,-0.4 -24,-0.0 2,-0.2 0.710 91.3 88.4-129.1 -13.3 16.5 17.4 133.2 268 286 A L - 0 0 0 -25,-0.1 2,-0.3 -44,-0.1 -23,-0.2 -0.525 68.9-132.8 -73.7 154.8 12.8 17.3 132.8 269 287 A S E -j 245 0D 7 -25,-2.1 -23,-1.9 -2,-0.2 2,-0.3 -0.754 16.8-134.1-102.3 159.3 11.5 19.1 129.8 270 288 A L E -j 246 0D 0 -2,-0.3 77,-2.0 -25,-0.2 2,-0.3 -0.758 18.4-176.1-111.9 159.9 8.6 21.4 129.9 271 289 A G E -jk 247 347D 0 -25,-1.4 -23,-1.8 -2,-0.3 2,-0.4 -0.980 10.7-152.1-150.6 141.8 5.6 22.0 127.8 272 290 A V E -jk 248 348D 0 75,-2.7 77,-1.8 -2,-0.3 2,-0.4 -0.965 6.9-144.4-124.4 133.9 2.9 24.6 128.0 273 291 A V E -jk 249 349D 1 -25,-2.1 -23,-2.4 -2,-0.4 -22,-0.2 -0.731 21.0-172.0 -92.2 138.9 -0.6 24.4 126.9 274 292 A I - 0 0 1 75,-2.3 78,-0.5 -2,-0.4 77,-0.1 -0.934 9.6-154.3-139.7 123.6 -2.1 27.5 125.5 275 293 A P > - 0 0 0 0, 0.0 4,-0.5 0, 0.0 3,-0.3 -0.243 34.6-103.2 -88.1 173.2 -5.6 28.3 124.5 276 294 A D H >> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 3,-1.7 0.870 112.9 65.2 -65.8 -41.0 -6.7 30.8 122.0 277 295 A I H 3> S+ 0 0 16 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.916 91.1 64.4 -51.8 -40.1 -7.7 33.5 124.4 278 296 A T H 3> S+ 0 0 0 -3,-0.3 4,-2.0 1,-0.3 -1,-0.3 0.895 105.5 45.9 -51.1 -37.1 -4.2 33.9 125.6 279 297 A F H S+ 0 0 4 -4,-3.5 5,-2.8 1,-0.2 -1,-0.2 0.930 110.4 48.1 -54.8 -50.4 -5.3 38.9 125.4 282 300 A A H ><5S+ 0 0 11 -4,-2.0 3,-0.5 -5,-0.3 -1,-0.2 0.895 106.9 57.8 -65.2 -34.0 -1.8 39.6 124.4 283 301 A K H 3<5S+ 0 0 154 -4,-2.3 2,-2.7 1,-0.3 -1,-0.2 0.988 110.7 43.3 -53.7 -63.5 -2.9 41.1 121.1 284 302 A E T 3<5S- 0 0 104 -4,-2.0 -1,-0.3 -5,-0.2 -4,-0.0 -0.500 117.4-115.1 -76.9 72.1 -5.0 43.6 122.9 285 303 A N T < 5 + 0 0 98 -2,-2.7 -3,-0.2 -3,-0.5 -2,-0.1 0.433 66.5 150.8 -11.8 65.7 -2.3 44.2 125.4 286 304 A A < - 0 0 25 -5,-2.8 43,-1.0 -6,-0.2 44,-0.5 -0.303 48.3 -94.3-103.0-174.6 -4.5 42.7 128.2 287 305 A Q E -N 328 0F 108 41,-0.2 2,-0.5 42,-0.1 41,-0.2 -0.762 32.0-131.9 -98.7 146.7 -4.0 40.8 131.5 288 306 A M E -N 327 0F 0 39,-4.0 39,-1.6 -2,-0.3 2,-0.5 -0.842 17.0-143.6 -98.6 128.4 -4.1 37.1 131.7 289 307 A A E -N 326 0F 0 -2,-0.5 2,-0.6 37,-0.2 37,-0.2 -0.777 7.6-156.5 -98.2 131.1 -6.3 35.6 134.4 290 308 A L E -N 325 0F 3 35,-3.4 35,-1.7 -2,-0.5 2,-0.3 -0.876 10.5-153.0-105.2 124.6 -5.2 32.5 136.2 291 309 A F E -N 324 0F 0 -40,-1.0 33,-0.2 -2,-0.6 26,-0.0 -0.661 20.2-110.9 -97.9 142.1 -7.9 30.4 137.8 292 310 A S > - 0 0 2 31,-1.8 4,-3.3 -2,-0.3 5,-0.2 -0.570 12.1-155.2 -74.8 126.7 -7.4 28.1 140.8 293 311 A P H > S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 11,-0.2 0.826 95.5 60.9 -65.9 -31.8 -7.7 24.4 140.0 294 312 A Y H >> S+ 0 0 20 2,-0.2 4,-1.5 1,-0.2 3,-0.6 0.997 112.9 33.7 -57.6 -61.5 -8.7 23.9 143.7 295 313 A D H 3> S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.969 111.1 63.1 -58.3 -51.7 -11.7 26.1 143.4 296 314 A I H 3X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.3 6,-0.5 0.814 105.2 49.8 -42.7 -39.5 -12.4 25.0 139.8 297 315 A Q H - 0 0 22 0, 0.0 3,-4.7 0, 0.0 4,-0.4 -0.609 30.8-110.5 -87.0 150.8 -10.3 19.3 137.3 304 322 A F G > S+ 0 0 2 1,-0.3 3,-1.7 -102,-0.3 -102,-0.2 0.860 118.8 59.7 -41.0 -47.3 -8.6 22.2 135.8 305 323 A G G 3 S+ 0 0 7 1,-0.3 -1,-0.3 3,-0.1 -103,-0.1 0.531 105.7 47.6 -66.1 -3.7 -7.2 19.8 133.3 306 324 A D G < S+ 0 0 46 -3,-4.7 -1,-0.3 -104,-0.0 2,-0.3 0.330 92.2 84.4-120.9 7.7 -10.6 18.8 132.1 307 325 A I S < S- 0 0 7 -3,-1.7 2,-0.9 -4,-0.4 -11,-0.0 -0.695 79.9-111.8-105.3 165.1 -12.5 22.1 131.5 308 326 A A > - 0 0 11 -2,-0.3 4,-0.9 1,-0.2 -3,-0.1 -0.820 30.5-175.8 -99.1 104.2 -12.5 24.3 128.6 309 327 A I H >> S+ 0 0 0 -2,-0.9 3,-1.6 2,-0.2 4,-0.8 0.977 81.0 50.8 -63.8 -59.8 -10.8 27.5 129.6 310 328 A S H >4 S+ 0 0 32 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.949 113.3 48.6 -44.5 -53.9 -11.3 29.4 126.4 311 329 A E H 34 S+ 0 0 162 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.677 123.3 30.7 -65.9 -18.0 -14.9 28.6 126.5 312 330 A R H S+ 0 0 107 -4,-0.3 4,-3.0 2,-0.3 5,-0.3 0.937 115.3 55.0 -55.1 -52.7 -15.5 35.1 131.2 315 333 A E H > S+ 0 0 100 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.959 112.9 43.8 -44.7 -54.2 -17.7 32.8 133.1 316 334 A L H < S+ 0 0 0 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.3 0.877 107.9 56.3 -64.3 -37.9 -14.7 32.0 135.3 317 335 A I H < S+ 0 0 55 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.899 112.3 45.3 -63.7 -31.2 -13.7 35.5 135.6 318 336 A A H < S+ 0 0 76 -4,-3.0 -1,-0.2 -3,-0.4 -2,-0.2 0.766 87.7 94.3 -81.9 -26.5 -17.1 36.2 136.9 319 337 A D >< - 0 0 9 -4,-1.7 3,-1.8 -5,-0.3 -1,-0.0 -0.568 55.8-167.0 -73.8 110.9 -17.4 33.3 139.3 320 338 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.519 83.9 70.8 -75.0 -8.3 -16.3 34.8 142.6 321 339 A H T 3 S+ 0 0 114 1,-0.1 2,-0.5 2,-0.1 -22,-0.1 0.417 90.5 72.3 -83.4 -0.3 -16.1 31.3 144.0 322 340 A V S < S- 0 0 2 -3,-1.8 2,-0.1 -6,-0.2 -1,-0.1 -0.972 84.9-133.3-117.8 117.0 -13.1 30.9 141.8 323 341 A R - 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