==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA REPAIR 20-OCT-99 1QNT . COMPND 2 MOLECULE: METHYLATED-DNA--PROTEIN-CYSTEINE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.E.A.WIBLEY,P.C.E.MOODY . 166 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 8.4 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 8 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 27.1 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+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 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 6 A E 0 0 148 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 -35.8 -20.5 56.7 43.6 2 7 A M - 0 0 63 17,-0.1 2,-0.3 15,-0.1 17,-0.2 -0.603 360.0-171.5 -79.5 125.9 -16.9 56.4 42.3 3 8 A K E -A 18 0A 116 15,-3.0 15,-2.1 -2,-0.4 2,-0.3 -0.869 1.4-164.1-116.3 150.2 -14.6 59.4 42.9 4 9 A R E +A 17 0A 150 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.950 14.2 164.1-136.0 155.6 -11.1 60.0 41.5 5 10 A T E -A 16 0A 10 11,-1.9 11,-3.0 -2,-0.3 2,-0.3 -0.956 26.4-126.0-157.8 162.7 -8.1 62.2 42.2 6 11 A T E -A 15 0A 36 -2,-0.3 36,-2.5 9,-0.2 2,-0.3 -0.833 14.8-164.5-117.7 158.8 -4.4 62.1 41.1 7 12 A L E -A 14 0A 10 7,-2.3 7,-2.6 -2,-0.3 2,-0.1 -0.964 16.2-134.8-146.1 123.2 -1.3 62.3 43.2 8 13 A D + 0 0 62 32,-0.5 31,-0.4 -2,-0.3 5,-0.2 -0.491 36.9 159.6 -75.3 148.2 2.3 63.1 42.1 9 14 A S > - 0 0 2 24,-0.2 3,-1.8 3,-0.2 26,-1.3 -0.915 57.9 -83.8-156.2 177.8 5.0 60.8 43.4 10 15 A P T 3 S+ 0 0 26 0, 0.0 24,-0.2 0, 0.0 26,-0.1 0.647 128.6 51.8 -66.6 -12.7 8.6 59.5 42.8 11 16 A L T 3 S- 0 0 13 1,-0.5 19,-0.3 24,-0.1 2,-0.1 0.228 122.7-100.3-105.6 11.6 7.1 57.0 40.4 12 17 A G S < S- 0 0 0 -3,-1.8 -1,-0.5 23,-0.2 -3,-0.2 -0.446 70.7 -15.6 98.3-175.7 5.1 59.6 38.4 13 18 A K - 0 0 82 20,-0.2 16,-2.6 -5,-0.2 17,-0.7 -0.389 60.7-156.5 -67.2 135.0 1.5 60.5 38.6 14 19 A L E -AB 7 28A 0 -7,-2.6 -7,-2.3 14,-0.2 2,-0.6 -0.932 4.7-148.5-114.3 135.8 -0.8 58.1 40.4 15 20 A E E -AB 6 27A 58 12,-2.9 12,-2.5 -2,-0.4 2,-0.4 -0.919 15.8-165.9-106.5 120.8 -4.6 57.9 39.7 16 21 A L E +AB 5 26A 0 -11,-3.0 -11,-1.9 -2,-0.6 2,-0.3 -0.885 8.0 178.9-109.0 136.7 -6.7 56.9 42.8 17 22 A S E +AB 4 25A 7 8,-2.0 7,-2.6 -2,-0.4 8,-1.9 -0.994 15.5 122.2-138.2 143.9 -10.3 55.8 42.6 18 23 A G E -AB 3 23A 0 -15,-2.1 -15,-3.0 -2,-0.3 5,-0.2 -0.984 34.1-134.3-178.2 177.6 -12.8 54.6 45.2 19 24 A C E > - B 0 22A 2 3,-2.2 3,-1.4 -2,-0.3 -17,-0.1 -0.738 49.9 -77.5-137.5-175.1 -16.2 55.1 46.9 20 25 A E T 3 S+ 0 0 136 1,-0.3 3,-0.1 -19,-0.2 28,-0.1 0.813 127.1 58.2 -60.4 -29.1 -17.6 55.1 50.5 21 26 A Q T 3 S- 0 0 113 1,-0.3 -1,-0.3 27,-0.1 2,-0.2 0.653 122.3 -65.3 -76.7 -15.2 -17.4 51.3 50.5 22 27 A G E < -B 19 0A 0 -3,-1.4 -3,-2.2 54,-0.1 53,-0.3 -0.803 62.2 -49.6 149.9 167.9 -13.7 51.2 49.8 23 28 A L E -Bc 18 75A 1 51,-3.0 53,-2.8 -5,-0.2 -5,-0.3 -0.495 41.0-174.5 -69.7 134.5 -10.7 51.9 47.6 24 29 A H E - 0 0 39 -7,-2.6 2,-0.3 1,-0.3 -6,-0.2 0.860 55.4 -6.6 -99.4 -47.3 -11.1 50.5 44.1 25 30 A E E -B 17 0A 76 -8,-1.9 -8,-2.0 105,-0.1 2,-0.5 -0.998 38.2-155.8-158.1 148.9 -7.8 51.1 42.2 26 31 A I E -B 16 0A 2 103,-2.6 2,-0.4 -2,-0.3 -10,-0.2 -0.988 27.5-171.3-122.4 115.5 -4.3 52.6 42.3 27 32 A K E -B 15 0A 104 -12,-2.5 -12,-2.9 -2,-0.5 2,-0.7 -0.935 20.9-141.8-118.2 132.0 -3.0 53.2 38.8 28 33 A L E +B 14 0A 44 -2,-0.4 -14,-0.2 -14,-0.2 3,-0.2 -0.802 22.3 179.6 -88.2 115.3 0.5 54.3 37.8 29 34 A L + 0 0 79 -16,-2.6 2,-0.4 -2,-0.7 -1,-0.2 0.778 61.8 30.4 -90.5 -30.2 0.1 56.7 34.9 30 35 A G 0 0 25 -17,-0.7 -1,-0.2 -19,-0.3 -17,-0.1 -0.824 360.0 360.0-140.8 104.6 3.6 57.8 33.9 31 36 A K 0 0 167 -2,-0.4 3,-0.2 -3,-0.2 -1,-0.1 0.763 360.0 360.0-104.3 360.0 6.7 55.7 34.2 32 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 33 42 A D 0 0 169 0, 0.0 -20,-0.2 0, 0.0 -24,-0.2 0.000 360.0 360.0 360.0-176.3 7.4 61.6 34.9 34 43 A A - 0 0 47 -24,-0.2 2,-0.3 -3,-0.2 -23,-0.1 -0.208 360.0-162.8 -90.8 177.1 8.3 61.6 38.6 35 44 A V - 0 0 60 -26,-1.3 -23,-0.2 -23,-0.1 -24,-0.1 -0.958 16.7-149.5-158.2 139.9 9.2 64.1 41.3 36 45 A E S S+ 0 0 170 -2,-0.3 -1,-0.0 -26,-0.1 3,-0.0 0.630 70.6 98.9 -88.6 -15.1 10.9 63.7 44.8 37 46 A V S S- 0 0 97 -28,-0.1 25,-0.0 1,-0.1 -29,-0.0 -0.610 85.7-107.4 -77.7 125.8 9.1 66.6 46.5 38 47 A P - 0 0 76 0, 0.0 -29,-0.1 0, 0.0 -1,-0.1 -0.258 43.5-167.7 -53.7 129.1 6.1 65.5 48.6 39 48 A A - 0 0 25 -31,-0.4 2,-0.2 -4,-0.1 3,-0.1 -0.888 16.4-128.9-125.0 153.2 2.8 66.5 46.9 40 49 A P - 0 0 101 0, 0.0 -32,-0.5 0, 0.0 2,-0.1 -0.501 42.1 -86.7 -92.3 164.9 -0.9 66.7 47.9 41 50 A A - 0 0 13 -2,-0.2 -34,-0.2 -34,-0.1 3,-0.1 -0.401 35.5-118.8 -69.9 150.9 -3.7 65.1 45.9 42 51 A A S S+ 0 0 73 -36,-2.5 2,-0.5 1,-0.2 -1,-0.1 0.905 106.0 30.8 -55.9 -45.0 -5.2 67.2 43.1 43 52 A V S S- 0 0 96 -37,-0.3 -1,-0.2 2,-0.1 2,-0.1 -0.976 87.7-142.8-119.5 118.9 -8.6 67.2 44.8 44 53 A L + 0 0 136 -2,-0.5 2,-0.1 -3,-0.1 7,-0.1 -0.321 61.1 12.7 -78.3 163.1 -8.6 67.0 48.6 45 54 A G + 0 0 39 1,-0.1 -2,-0.1 -2,-0.1 -4,-0.0 -0.338 63.9 140.7 73.6-154.2 -11.2 65.0 50.6 46 55 A G - 0 0 45 4,-0.1 5,-0.1 -2,-0.1 -27,-0.1 -0.612 62.9 -6.4 108.0-172.1 -13.5 62.5 49.1 47 56 A P S >> S- 0 0 3 0, 0.0 4,-1.6 0, 0.0 3,-1.1 -0.205 74.9-111.5 -54.3 147.1 -14.7 59.1 50.4 48 57 A E H 3> S+ 0 0 105 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.881 116.7 56.5 -49.6 -46.6 -12.9 58.0 53.6 49 58 A P H 3> S+ 0 0 6 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.843 106.1 52.1 -57.3 -32.4 -11.1 55.2 51.8 50 59 A L H <> S+ 0 0 6 -3,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.911 109.0 48.1 -70.3 -43.3 -9.6 57.7 49.3 51 60 A M H X S+ 0 0 72 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.859 111.6 50.8 -65.7 -35.0 -8.3 60.0 52.1 52 61 A Q H X S+ 0 0 57 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.858 108.9 52.3 -71.0 -33.4 -6.7 57.1 53.9 53 62 A C H X S+ 0 0 0 -4,-1.5 4,-2.8 -5,-0.2 5,-0.2 0.908 109.0 48.4 -68.6 -42.0 -5.1 55.9 50.6 54 63 A T H X S+ 0 0 33 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.909 113.2 48.1 -65.7 -38.2 -3.5 59.4 50.0 55 64 A A H X S+ 0 0 38 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.904 112.6 49.9 -67.3 -39.5 -2.3 59.5 53.6 56 65 A W H X S+ 0 0 17 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.946 111.8 45.8 -63.9 -51.4 -0.9 55.9 53.2 57 66 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.883 110.2 54.3 -61.2 -39.7 1.0 56.6 50.0 58 67 A N H X S+ 0 0 68 -4,-2.0 4,-2.9 -5,-0.2 5,-0.4 0.931 112.7 43.8 -60.0 -44.4 2.4 59.9 51.3 59 68 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 3,-0.2 7,-0.2 0.908 109.2 57.3 -66.8 -42.0 3.8 58.0 54.3 60 69 A Y H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.930 119.5 29.6 -55.0 -47.2 5.1 55.1 52.1 61 70 A F H < S+ 0 0 15 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.869 135.8 23.2 -82.2 -38.5 7.2 57.5 50.0 62 71 A H H < S+ 0 0 60 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.550 131.4 28.3-112.4 -8.8 8.1 60.2 52.5 63 72 A Q >< + 0 0 84 -4,-2.2 3,-2.2 -5,-0.4 -1,-0.1 -0.302 66.2 153.6-144.4 52.5 7.8 58.9 56.0 64 73 A P G > + 0 0 36 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.786 64.4 73.2 -54.7 -31.3 8.6 55.2 55.6 65 74 A E G 3 S+ 0 0 144 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.782 107.0 37.0 -56.4 -23.8 9.8 54.9 59.1 66 75 A A G X S+ 0 0 10 -3,-2.2 3,-1.5 -7,-0.2 4,-0.4 0.231 81.9 111.7-113.7 15.6 6.2 55.1 60.1 67 76 A I G X S+ 0 0 9 -3,-1.9 3,-1.7 1,-0.3 -1,-0.1 0.859 71.5 60.1 -58.5 -40.2 4.5 53.2 57.3 68 77 A E G 3 S+ 0 0 131 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.705 99.3 62.6 -62.6 -16.1 3.4 50.2 59.5 69 78 A E G < S+ 0 0 160 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.630 84.4 88.0 -84.8 -14.5 1.4 52.8 61.6 70 79 A F S < S- 0 0 63 -3,-1.7 2,-0.1 -4,-0.4 -18,-0.0 -0.725 79.9-120.1 -90.8 131.6 -1.0 53.9 58.7 71 80 A P - 0 0 80 0, 0.0 -15,-0.1 0, 0.0 -2,-0.1 -0.415 16.4-127.8 -72.0 138.8 -4.2 51.9 58.2 72 81 A V - 0 0 58 -2,-0.1 3,-0.1 1,-0.1 -19,-0.1 -0.715 35.0-120.1 -82.3 130.0 -4.9 50.2 54.9 73 82 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.228 31.5 -88.2 -69.5 162.8 -8.3 51.3 53.7 74 83 A A - 0 0 61 1,-0.1 -51,-3.0 2,-0.0 2,-0.4 -0.405 48.2-132.0 -64.6 148.2 -11.2 49.0 53.1 75 84 A L B -c 23 0A 34 -53,-0.3 2,-0.4 -3,-0.1 -51,-0.2 -0.886 22.2-174.0-111.4 139.5 -11.1 47.7 49.5 76 85 A H + 0 0 42 -53,-2.8 -54,-0.1 -2,-0.4 -57,-0.1 -0.850 35.1 118.5-134.7 97.0 -14.0 47.6 47.1 77 86 A H >> - 0 0 35 -2,-0.4 3,-2.1 1,-0.1 4,-0.8 -0.974 69.7-111.5-155.3 144.6 -13.3 45.8 43.8 78 87 A P H >> S+ 0 0 59 0, 0.0 4,-0.9 0, 0.0 3,-0.7 0.808 113.4 66.8 -51.5 -30.8 -14.8 42.7 42.2 79 88 A V H 34 S+ 0 0 28 1,-0.3 8,-0.1 2,-0.2 3,-0.1 0.805 108.3 39.7 -62.4 -25.5 -11.6 40.8 42.7 80 89 A F H <4 S+ 0 0 15 -3,-2.1 -1,-0.3 1,-0.1 -5,-0.1 0.527 103.7 70.3 -98.5 -8.4 -12.3 41.0 46.4 81 90 A Q H << S+ 0 0 110 -4,-0.8 2,-0.3 -3,-0.7 -2,-0.2 0.686 100.4 42.5 -83.7 -19.0 -16.1 40.4 46.2 82 91 A Q S < S- 0 0 109 -4,-0.9 2,-0.2 -3,-0.1 5,-0.1 -0.931 90.3 -99.2-129.6 154.3 -15.9 36.8 45.2 83 92 A E + 0 0 131 -2,-0.3 2,-0.3 4,-0.1 3,-0.1 -0.496 56.9 138.5 -71.8 131.9 -13.9 33.7 46.3 84 93 A S > - 0 0 42 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.967 65.1-106.4-164.2 163.1 -10.9 32.9 44.1 85 94 A F H > S+ 0 0 54 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.891 120.6 58.0 -64.7 -36.6 -7.3 31.8 44.4 86 95 A T H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.915 106.1 47.0 -59.2 -44.8 -6.4 35.3 43.3 87 96 A R H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.934 111.0 52.2 -63.7 -44.8 -8.2 36.8 46.2 88 97 A Q H X S+ 0 0 78 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.915 113.2 44.9 -55.1 -47.0 -6.7 34.3 48.7 89 98 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.913 113.5 47.9 -65.4 -46.4 -3.2 35.2 47.4 90 99 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.900 113.7 47.8 -64.2 -40.9 -3.7 39.0 47.4 91 100 A W H X S+ 0 0 114 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.872 111.7 49.2 -68.6 -37.5 -5.2 39.0 50.9 92 101 A K H X S+ 0 0 81 -4,-1.9 4,-2.9 -5,-0.3 5,-0.3 0.918 111.4 50.2 -66.7 -42.2 -2.4 36.8 52.4 93 102 A L H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.935 111.3 48.3 -60.0 -47.9 0.2 39.0 50.8 94 103 A L H < S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.896 117.2 42.4 -60.2 -41.8 -1.5 42.1 52.3 95 104 A K H < S+ 0 0 168 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.925 122.9 31.6 -72.8 -45.7 -1.7 40.6 55.7 96 105 A V H < S+ 0 0 59 -4,-2.9 2,-0.7 -5,-0.2 -3,-0.2 0.869 95.4 77.6 -85.4 -43.4 1.7 38.9 56.0 97 106 A V < - 0 0 8 -4,-1.6 -1,-0.1 -5,-0.3 3,-0.1 -0.645 60.7-163.2 -85.6 112.4 4.5 40.8 54.2 98 107 A K > - 0 0 125 -2,-0.7 3,-1.8 1,-0.2 2,-0.1 -0.247 37.0 -70.7 -85.1 171.8 5.8 43.9 55.9 99 108 A F T 3 S+ 0 0 42 1,-0.3 -1,-0.2 -35,-0.1 3,-0.1 -0.407 122.4 18.5 -62.2 128.4 7.9 46.8 54.6 100 109 A G T 3 S+ 0 0 29 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.279 103.6 107.6 93.3 -12.0 11.4 45.6 53.8 101 110 A E < - 0 0 72 -3,-1.8 -1,-0.3 2,-0.0 2,-0.3 -0.695 49.4-161.6-100.4 151.2 10.5 41.9 53.7 102 111 A V - 0 0 56 -2,-0.3 2,-0.3 -3,-0.1 37,-0.2 -0.924 2.0-163.7-129.4 157.5 10.3 39.7 50.5 103 112 A I E -d 139 0B 10 35,-2.5 37,-2.5 -2,-0.3 2,-0.1 -0.985 21.2-118.6-139.4 145.3 8.6 36.4 49.9 104 113 A S E > -d 140 0B 14 -2,-0.3 4,-2.3 35,-0.2 5,-0.2 -0.433 26.2-113.8 -83.5 161.5 9.1 33.9 47.0 105 114 A Y H > S+ 0 0 39 35,-1.2 4,-1.8 1,-0.2 5,-0.1 0.887 120.6 51.0 -57.2 -38.5 6.4 32.8 44.6 106 115 A Q H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 108.0 49.6 -66.6 -43.1 6.6 29.4 46.2 107 116 A Q H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.880 111.9 48.4 -65.3 -39.7 6.3 30.6 49.8 108 117 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.884 110.3 51.8 -69.5 -36.2 3.2 32.7 48.9 109 118 A A H <>S+ 0 0 0 -4,-1.8 5,-2.5 -5,-0.2 -2,-0.2 0.913 111.1 48.0 -64.6 -41.9 1.6 29.7 47.1 110 119 A A H ><5S+ 0 0 46 -4,-2.1 3,-1.9 5,-0.3 -2,-0.2 0.910 109.0 52.8 -65.0 -42.5 2.2 27.6 50.1 111 120 A L H 3<5S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.843 105.9 55.8 -62.0 -31.8 0.7 30.2 52.4 112 121 A A T 3<5S- 0 0 9 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.268 127.6 -98.6 -84.4 10.5 -2.3 30.3 50.2 113 122 A G T < 5S+ 0 0 66 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.542 101.0 81.8 88.7 6.5 -2.8 26.5 50.7 114 123 A N > < - 0 0 69 -5,-2.5 3,-2.1 -6,-0.2 -3,-0.1 -0.650 48.1-174.7-149.0 89.8 -1.2 25.1 47.5 115 124 A P T 3 S+ 0 0 71 0, 0.0 3,-0.3 0, 0.0 -5,-0.3 0.639 86.5 56.6 -54.3 -21.7 2.6 24.7 47.4 116 125 A K T 3 S+ 0 0 176 1,-0.2 3,-0.4 -7,-0.2 -10,-0.0 0.456 86.1 82.4 -94.4 -0.3 2.6 23.6 43.8 117 126 A A <> + 0 0 13 -3,-2.1 4,-1.6 1,-0.2 -1,-0.2 -0.075 44.2 125.7 -97.2 36.1 0.8 26.7 42.5 118 127 A A H > S+ 0 0 18 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.821 75.0 54.1 -61.2 -31.8 3.7 29.2 42.2 119 128 A R H > S+ 0 0 233 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.915 108.2 48.3 -68.4 -42.9 2.9 29.8 38.5 120 129 A A H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.777 107.8 56.1 -67.8 -28.3 -0.7 30.8 39.4 121 130 A V H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.906 106.9 49.3 -69.4 -41.4 0.6 33.1 42.2 122 131 A G H X S+ 0 0 24 -4,-1.7 4,-0.6 1,-0.2 3,-0.3 0.901 112.0 49.1 -62.8 -39.9 2.7 34.9 39.6 123 132 A G H >< S+ 0 0 34 -4,-1.9 3,-0.9 1,-0.2 4,-0.4 0.863 104.6 59.0 -67.1 -35.5 -0.4 35.1 37.4 124 133 A A H >< S+ 0 0 2 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.811 92.5 67.2 -63.7 -31.3 -2.5 36.5 40.3 125 134 A M H >< S+ 0 0 21 -4,-1.4 3,-1.7 -3,-0.3 -1,-0.2 0.841 91.3 63.8 -58.9 -32.4 -0.1 39.4 40.8 126 135 A R T << S+ 0 0 190 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.784 98.6 55.5 -62.4 -27.1 -1.3 40.7 37.4 127 136 A G T < S+ 0 0 38 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.332 73.4 123.1 -90.5 8.7 -4.8 41.1 38.9 128 137 A N < - 0 0 15 -3,-1.7 -3,-0.0 1,-0.2 -103,-0.0 -0.591 39.2-172.6 -73.5 114.5 -3.8 43.3 41.8 129 138 A P S S+ 0 0 10 0, 0.0 -103,-2.6 0, 0.0 -1,-0.2 0.643 77.9 51.2 -81.8 -14.4 -5.9 46.5 41.4 130 139 A V S > S- 0 0 0 -105,-0.2 4,-2.4 -107,-0.0 -103,-0.1 -0.612 77.1-169.0-125.8 74.6 -4.0 48.3 44.2 131 140 A P B 4 S+e 134 0C 13 0, 0.0 2,-2.6 0, 0.0 -106,-0.0 -0.139 71.6 14.7 -57.3 157.4 -0.2 48.1 43.6 132 141 A I T 4 S+ 0 0 0 2,-0.5 -2,-0.0 1,-0.2 5,-0.0 -0.369 121.4 64.1 73.0 -58.4 2.2 49.2 46.4 133 142 A L T 4 S+ 0 0 5 -2,-2.6 -1,-0.2 1,-0.3 -61,-0.0 0.925 111.1 36.9 -58.2 -51.2 -0.7 49.1 49.0 134 143 A I B < S-e 131 0C 0 -4,-2.4 2,-2.1 -39,-0.0 -2,-0.5 -0.955 106.7-132.7-100.5 107.8 -1.0 45.3 48.4 135 144 A P > + 0 0 3 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.352 48.9 152.9 -66.0 63.6 2.8 44.7 47.9 136 145 A C G > S+ 0 0 3 -2,-2.1 3,-1.3 1,-0.3 -11,-0.1 0.711 70.7 69.5 -66.1 -17.9 3.1 42.6 44.8 137 146 A H G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -3,-0.2 23,-0.1 0.696 89.3 63.4 -71.9 -17.0 6.5 44.1 44.3 138 147 A R G < S+ 0 0 14 -3,-1.9 -35,-2.5 -36,-0.1 2,-0.8 0.440 79.4 94.9 -86.0 0.3 7.6 42.1 47.4 139 148 A V E < +d 103 0B 1 -3,-1.3 -35,-0.2 -37,-0.2 2,-0.2 -0.847 59.0 157.8 -95.8 112.6 7.0 38.7 45.7 140 149 A V E -d 104 0B 15 -37,-2.5 -35,-1.2 -2,-0.8 2,-0.2 -0.636 42.3 -73.2-127.9-178.3 10.3 37.6 44.2 141 150 A C > - 0 0 36 4,-2.2 3,-1.6 -37,-0.2 -1,-0.1 -0.540 30.1-132.5 -79.9 144.2 12.3 34.6 42.9 142 151 A S T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -2,-0.2 -38,-0.1 0.679 106.8 67.7 -68.4 -14.0 13.8 32.1 45.3 143 152 A S T 3 S- 0 0 99 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.649 122.0-105.0 -77.6 -17.0 17.0 32.5 43.3 144 153 A G S < S+ 0 0 64 -3,-1.6 -2,-0.1 1,-0.4 2,-0.1 0.165 80.7 131.2 110.5 -16.9 17.4 36.1 44.6 145 154 A A - 0 0 51 1,-0.1 -4,-2.2 -5,-0.1 -1,-0.4 -0.386 62.6-128.3 -67.0 146.3 16.3 37.6 41.3 146 155 A V - 0 0 20 -6,-0.2 -1,-0.1 1,-0.1 2,-0.0 0.852 42.5-153.2 -68.8 -33.8 13.6 40.3 41.6 147 156 A G - 0 0 18 -7,-0.2 -1,-0.1 2,-0.0 9,-0.1 -0.216 28.8 -34.1 90.9 178.4 11.2 38.8 39.0 148 157 A N - 0 0 113 -2,-0.0 2,-0.3 8,-0.0 3,-0.1 -0.236 53.0-165.8 -74.1 163.3 8.6 40.2 36.7 149 158 A Y > - 0 0 15 1,-0.1 3,-1.9 -23,-0.0 4,-0.1 -0.972 29.4-132.1-155.1 137.7 6.3 43.2 37.6 150 159 A S T 3 S+ 0 0 84 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.768 112.2 46.2 -57.7 -29.4 3.1 44.7 36.2 151 160 A G T 3 S- 0 0 28 1,-0.3 4,-0.3 -3,-0.1 -1,-0.3 0.346 125.7 -90.4 -97.6 6.1 4.7 48.1 36.3 152 161 A G <> - 0 0 29 -3,-1.9 4,-1.8 2,-0.1 -1,-0.3 0.023 35.6 -85.5 100.7 150.8 7.9 47.1 34.8 153 162 A L H > S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.881 122.6 59.1 -57.4 -43.1 11.3 45.9 36.1 154 163 A A H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 107.5 45.3 -55.1 -45.9 12.6 49.4 36.7 155 164 A V H > S+ 0 0 5 -4,-0.3 4,-2.5 -3,-0.2 -1,-0.2 0.891 111.1 52.4 -68.3 -38.9 9.7 50.3 39.1 156 165 A K H X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.936 111.5 47.4 -62.5 -43.7 10.0 47.0 41.0 157 166 A E H X S+ 0 0 82 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.878 110.1 53.1 -63.9 -37.6 13.7 47.6 41.5 158 167 A W H X S+ 0 0 96 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.939 111.0 46.4 -62.8 -47.1 13.0 51.2 42.6 159 168 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.895 113.4 47.4 -63.2 -42.9 10.5 50.0 45.2 160 169 A L H <>S+ 0 0 3 -4,-2.4 5,-2.2 2,-0.2 -1,-0.2 0.897 112.7 49.0 -67.2 -38.9 12.7 47.2 46.6 161 170 A A H ><5S+ 0 0 37 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.902 107.7 55.4 -65.2 -40.2 15.7 49.6 46.8 162 171 A H H 3<5S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.848 105.5 54.2 -59.5 -33.8 13.4 52.1 48.6 163 172 A E T 3<5S- 0 0 11 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.205 130.2 -90.6 -88.9 16.7 12.7 49.4 51.1 164 173 A G T < 5S+ 0 0 62 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.356 76.2 142.0 97.8 -7.7 16.4 48.7 51.9 165 174 A H < - 0 0 58 -5,-2.2 2,-2.2 1,-0.1 -1,-0.3 -0.432 60.7-113.9 -72.2 144.7 17.4 46.0 49.4 166 175 A R 0 0 251 1,-0.2 -1,-0.1 -2,-0.1 -5,-0.1 -0.390 360.0 360.0 -78.4 64.8 20.9 46.3 48.0 167 176 A L 0 0 136 -2,-2.2 -1,-0.2 -10,-0.1 -9,-0.1 0.652 360.0 360.0-121.5 360.0 19.9 46.9 44.4