==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-AUG-01 1JU6 . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.H.SAYRE,J.S.FINER-MOORE,T.A.FRITZ,D.BIERMANN,S.B.GATES, . 1144 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 827 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 13.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 124 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.1 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 4 4 8 0 0 0 4 4 1 3 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 4 0 4 8 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 28 A H 0 0 99 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-120.9 16.3 8.3 17.2 2 29 A G >> + 0 0 18 1,-0.2 3,-2.1 2,-0.2 4,-0.7 0.911 360.0 60.4 -80.1 -43.1 14.6 8.0 13.9 3 30 A E H 3> S+ 0 0 0 1,-0.3 4,-2.1 244,-0.2 -1,-0.2 0.650 92.0 72.4 -59.6 -13.9 17.6 6.9 11.8 4 31 A L H 3> S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.835 88.4 60.3 -70.9 -30.6 17.8 3.9 14.2 5 32 A Q H <> S+ 0 0 70 -3,-2.1 4,-1.7 -4,-0.3 -1,-0.2 0.922 107.8 44.2 -61.4 -44.3 14.7 2.4 12.5 6 33 A Y H X S+ 0 0 0 -4,-0.7 4,-2.1 2,-0.2 3,-0.4 0.976 112.3 50.5 -64.0 -55.1 16.4 2.3 9.2 7 34 A L H X S+ 0 0 13 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.829 108.0 56.6 -52.8 -33.6 19.7 0.9 10.6 8 35 A G H X S+ 0 0 37 -4,-2.1 4,-2.9 1,-0.2 -1,-0.3 0.931 105.4 48.5 -65.3 -45.9 17.6 -1.7 12.3 9 36 A Q H X S+ 0 0 16 -4,-1.7 4,-2.6 -3,-0.4 5,-0.2 0.876 108.5 55.0 -62.1 -38.7 16.1 -2.9 9.1 10 37 A I H X S+ 0 0 3 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.936 113.0 42.5 -60.1 -45.9 19.5 -3.1 7.4 11 38 A Q H X S+ 0 0 90 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.927 112.1 52.7 -66.8 -47.5 20.8 -5.4 10.2 12 39 A H H X>S+ 0 0 96 -4,-2.9 4,-1.9 1,-0.2 5,-1.2 0.920 109.6 49.4 -54.9 -46.0 17.6 -7.5 10.4 13 40 A I H <5S+ 0 0 0 -4,-2.6 4,-0.4 3,-0.2 -1,-0.2 0.893 111.7 50.8 -60.7 -40.6 17.8 -8.2 6.6 14 41 A L H <5S+ 0 0 28 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.910 115.9 37.2 -66.1 -46.0 21.5 -9.1 7.0 15 42 A R H <5S+ 0 0 180 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.1 0.978 137.7 12.7 -72.8 -54.8 21.2 -11.6 9.8 16 43 A C T <5S+ 0 0 76 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.792 92.7 117.5 -92.7 -34.1 17.9 -13.3 8.9 17 44 A G < - 0 0 11 -5,-1.2 2,-0.3 -4,-0.4 14,-0.2 -0.004 64.0-125.4 -38.9 137.3 17.2 -12.2 5.3 18 45 A V E -A 30 0A 49 12,-1.9 12,-2.5 1,-0.1 2,-0.3 -0.676 22.5-107.2 -91.4 144.4 17.2 -15.1 2.9 19 46 A E E +A 29 0A 144 -2,-0.3 2,-0.3 10,-0.2 10,-0.3 -0.537 47.9 175.3 -70.2 131.5 19.4 -15.1 -0.1 20 47 A K E -A 28 0A 9 8,-3.7 8,-0.8 -2,-0.3 2,-0.2 -1.000 28.5-124.3-143.3 138.7 17.3 -14.6 -3.3 21 48 A D E -A 27 0A 109 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.509 30.4-161.5 -79.1 151.1 18.0 -14.1 -7.0 22 49 A D > - 0 0 19 4,-1.1 3,-1.7 -2,-0.2 412,-0.1 -0.853 33.4-101.2-131.6 168.2 16.7 -11.0 -8.8 23 50 A R T 3 S+ 0 0 111 -2,-0.3 411,-0.0 1,-0.3 -2,-0.0 0.713 113.7 63.7 -60.4 -24.2 16.0 -9.7 -12.3 24 51 A T T 3 S- 0 0 23 2,-0.1 -1,-0.3 1,-0.1 262,-0.3 0.544 109.1-117.1 -80.7 -6.4 19.2 -7.7 -12.4 25 52 A G S < S+ 0 0 69 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.169 79.8 115.6 92.1 -19.2 21.5 -10.7 -12.2 26 53 A T S S- 0 0 39 1,-0.1 -4,-1.1 -5,-0.1 -1,-0.3 -0.192 70.6-105.1 -74.5 173.5 22.9 -9.6 -8.8 27 54 A G E -A 21 0A 17 -6,-0.2 205,-1.9 -3,-0.1 2,-0.3 -0.600 35.8-158.9 -97.2 165.4 22.4 -11.5 -5.6 28 55 A T E -AB 20 231A 1 -8,-0.8 -8,-3.7 203,-0.3 2,-0.5 -0.996 22.4-156.9-147.9 150.7 20.0 -10.5 -2.9 29 56 A L E -AB 19 230A 21 201,-1.2 201,-2.3 -2,-0.3 2,-0.3 -0.999 37.4-178.5-120.4 122.1 19.2 -10.9 0.8 30 57 A S E -AB 18 229A 2 -12,-2.5 -12,-1.9 -2,-0.5 2,-0.3 -0.923 28.8-170.5-134.5 159.8 15.6 -10.1 1.4 31 58 A V E - B 0 228A 18 197,-2.3 197,-1.9 -2,-0.3 2,-0.5 -0.923 23.5-134.8-133.2 153.1 12.8 -9.8 4.0 32 59 A F E + B 0 227A 10 -2,-0.3 195,-0.2 195,-0.2 194,-0.1 -0.939 69.9 14.1-121.8 113.3 9.1 -9.3 3.2 33 60 A G E + 0 0 2 193,-2.1 2,-0.3 -2,-0.5 -1,-0.2 0.703 63.4 155.7 95.4 105.7 7.0 -6.8 5.1 34 61 A M E - B 0 225A 17 191,-1.5 191,-1.8 -3,-0.1 2,-0.3 -0.938 17.8-162.6-149.3 166.6 8.4 -4.0 7.3 35 62 A Q E - B 0 224A 48 -2,-0.3 2,-0.4 189,-0.2 189,-0.2 -0.950 4.5-175.6-158.5 136.9 7.3 -0.6 8.6 36 63 A A E - B 0 223A 2 187,-1.9 187,-3.0 -2,-0.3 2,-0.7 -0.996 17.6-141.9-135.4 139.7 9.1 2.4 10.1 37 64 A R E - B 0 222A 80 -2,-0.4 2,-0.5 185,-0.2 185,-0.2 -0.887 16.8-170.0-107.4 111.7 7.6 5.6 11.5 38 65 A Y E - B 0 221A 2 183,-3.3 183,-3.4 -2,-0.7 2,-0.4 -0.869 15.8-137.6-103.8 126.1 9.5 8.8 10.8 39 66 A S E - B 0 220A 35 -2,-0.5 181,-0.2 181,-0.2 180,-0.1 -0.656 14.5-171.2 -83.7 132.1 8.5 12.0 12.6 40 67 A L > + 0 0 1 179,-2.8 2,-0.8 -2,-0.4 3,-0.6 0.219 48.3 123.2-102.3 9.3 8.4 15.2 10.5 41 68 A R T 3 S- 0 0 68 178,-0.4 -2,-0.1 1,-0.3 178,-0.1 -0.651 97.0 -26.4 -79.9 109.9 7.9 17.4 13.6 42 69 A D T 3 S+ 0 0 128 -2,-0.8 2,-0.3 176,-0.1 -1,-0.3 0.782 131.7 69.8 56.5 32.1 10.7 19.9 13.8 43 70 A E < - 0 0 59 -3,-0.6 208,-0.2 209,-0.1 -1,-0.1 -0.908 66.9-142.2-173.3 145.1 12.9 17.6 11.8 44 71 A F - 0 0 0 206,-2.8 2,-1.9 -2,-0.3 -4,-0.1 -0.970 28.3-124.9-116.9 122.9 13.4 16.2 8.3 45 72 A P + 0 0 3 0, 0.0 2,-0.7 0, 0.0 159,-0.1 -0.430 49.5 149.3 -70.6 78.6 14.6 12.5 8.1 46 73 A L - 0 0 1 -2,-1.9 -2,-0.1 204,-0.1 -43,-0.1 -0.939 55.3-109.3-112.5 106.2 17.7 12.8 5.9 47 74 A L > - 0 0 5 -2,-0.7 5,-0.5 150,-0.2 3,-0.1 0.100 29.0-168.1 -36.1 140.0 20.0 10.0 7.0 48 75 A T T 5S+ 0 0 0 199,-0.2 229,-3.3 228,-0.1 -1,-0.1 0.610 74.4 76.9-108.6 -19.3 23.2 11.1 8.9 49 76 A T T 5S+ 0 0 0 227,-0.2 2,-0.3 195,-0.1 195,-0.1 0.375 113.8 18.3 -74.6 8.0 25.2 7.8 8.9 50 77 A K T 5S- 0 0 17 227,-0.1 2,-0.7 -3,-0.1 229,-0.2 -0.937 91.9-103.2-169.9 151.4 26.0 8.7 5.3 51 78 A R T 5 - 0 0 122 -2,-0.3 229,-0.3 227,-0.3 2,-0.3 -0.808 40.0-149.4 -89.3 115.8 25.8 11.9 3.2 52 79 A V < - 0 0 8 -2,-0.7 2,-2.5 -5,-0.5 3,-0.2 -0.666 22.3-112.5 -88.6 142.0 22.6 11.6 1.0 53 80 A F > + 0 0 93 -2,-0.3 4,-1.5 1,-0.2 3,-0.3 -0.417 41.7 175.3 -71.4 72.0 22.5 13.2 -2.4 54 81 A W H > S+ 0 0 43 -2,-2.5 4,-2.8 1,-0.2 5,-0.3 0.834 71.3 61.4 -48.4 -40.7 19.8 15.8 -1.3 55 82 A K H > S+ 0 0 104 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.964 103.8 46.0 -53.6 -60.2 19.9 17.5 -4.7 56 83 A G H > S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.838 112.4 55.2 -53.3 -32.3 18.8 14.5 -6.7 57 84 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.984 113.2 37.6 -64.3 -58.2 16.1 14.0 -4.2 58 85 A L H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.948 118.7 50.1 -58.8 -50.8 14.6 17.5 -4.5 59 86 A E H X S+ 0 0 26 -4,-3.3 4,-2.2 -5,-0.3 -1,-0.2 0.864 110.0 50.9 -57.6 -38.8 15.2 17.5 -8.2 60 87 A E H X S+ 0 0 8 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.962 108.9 49.9 -64.7 -51.0 13.6 14.1 -8.7 61 88 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.924 112.7 47.5 -52.1 -49.1 10.4 15.1 -6.7 62 89 A L H X S+ 0 0 28 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.903 109.7 53.4 -59.6 -41.6 10.1 18.3 -8.8 63 90 A W H <>S+ 0 0 6 -4,-2.2 5,-1.7 -5,-0.2 -2,-0.2 0.921 111.3 47.1 -59.1 -43.4 10.6 16.2 -11.9 64 91 A F H ><5S+ 0 0 0 -4,-2.8 3,-2.4 1,-0.2 -2,-0.2 0.950 107.0 56.1 -63.2 -52.0 7.7 13.9 -10.7 65 92 A I H 3<5S+ 0 0 9 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.828 103.4 52.7 -52.9 -38.3 5.4 16.7 -9.9 66 93 A K T 3<5S- 0 0 109 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.320 115.8-118.2 -82.4 12.4 5.5 18.3 -13.4 67 94 A G T < 5 + 0 0 16 -3,-2.4 2,-0.2 1,-0.2 -3,-0.2 0.753 55.2 161.6 60.6 30.1 4.6 14.8 -14.7 68 95 A S < - 0 0 9 -5,-1.7 41,-0.5 41,-0.1 -1,-0.2 -0.562 26.3-178.3 -83.6 144.9 7.7 14.2 -16.7 69 96 A T + 0 0 5 53,-0.4 35,-2.4 -2,-0.2 2,-0.6 0.009 51.1 108.5-126.8 25.3 8.7 10.7 -17.8 70 97 A N B >> -F 103 0B 12 33,-0.2 3,-1.2 1,-0.1 4,-0.8 -0.915 55.0-157.4-111.5 113.1 12.0 11.7 -19.6 71 98 A A H >> S+ 0 0 2 31,-2.5 4,-2.4 -2,-0.6 3,-0.8 0.844 93.9 61.8 -52.9 -36.2 15.3 10.7 -17.9 72 99 A K H 3> S+ 0 0 104 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.816 93.4 59.8 -63.2 -34.6 16.9 13.5 -19.9 73 100 A E H <4 S+ 0 0 68 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.782 114.0 39.1 -65.3 -25.9 14.8 16.3 -18.3 74 101 A L H X<>S+ 0 0 1 -4,-0.8 3,-2.1 -3,-0.8 5,-1.5 0.824 108.3 58.6 -89.6 -38.3 16.3 15.2 -14.9 75 102 A S H ><5S+ 0 0 21 -4,-2.4 3,-0.8 1,-0.3 -2,-0.2 0.719 98.1 66.9 -61.9 -18.5 19.8 14.5 -16.2 76 103 A S T 3<5S+ 0 0 88 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.648 95.3 53.8 -74.7 -20.3 19.6 18.2 -17.2 77 104 A K T < 5S- 0 0 91 -3,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.408 127.3 -97.6 -95.5 0.9 19.5 19.3 -13.6 78 105 A G T < 5S+ 0 0 33 -3,-0.8 2,-0.6 -4,-0.3 -3,-0.2 0.653 91.4 119.8 91.6 16.0 22.6 17.3 -12.8 79 106 A V < + 0 0 0 -5,-1.5 3,-0.4 1,-0.1 -2,-0.2 -0.899 31.2 172.0-116.7 98.4 20.8 14.3 -11.4 80 107 A K >> + 0 0 124 -2,-0.6 3,-1.7 1,-0.2 4,-0.5 0.484 40.6 115.5 -85.8 -3.2 21.7 11.3 -13.5 81 108 A I T 34 S+ 0 0 55 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.649 80.8 39.0 -42.1 -28.8 20.0 8.7 -11.4 82 109 A W T >> S+ 0 0 26 -3,-0.4 3,-0.8 -11,-0.2 4,-0.5 0.642 86.8 92.1-101.8 -12.3 17.5 7.6 -14.0 83 110 A D H X> S+ 0 0 50 -3,-1.7 3,-2.1 1,-0.2 4,-0.7 0.867 80.2 62.6 -46.3 -45.7 19.6 7.7 -17.2 84 111 A A H >< S+ 0 0 38 -4,-0.5 3,-1.1 1,-0.3 6,-0.3 0.898 104.5 45.3 -48.2 -50.7 20.5 4.0 -16.8 85 112 A N H <4 S+ 0 0 11 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.463 112.8 53.1 -76.9 0.6 16.9 2.9 -17.1 86 113 A G H << S+ 0 0 2 -3,-2.1 16,-2.0 -4,-0.5 17,-0.3 0.416 83.8 120.1-112.0 -0.8 16.4 5.2 -20.1 87 114 A S S S+ 0 0 70 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.894 114.7 50.6 -79.4 -44.3 19.1 2.5 -25.6 89 116 A D H > S+ 0 0 139 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.932 114.9 42.9 -59.9 -46.4 20.4 -0.9 -24.5 90 117 A F H > S+ 0 0 20 -6,-0.3 4,-1.1 2,-0.2 6,-0.2 0.931 114.1 49.5 -67.2 -46.0 17.9 -1.1 -21.6 91 118 A L H ><>S+ 0 0 0 -4,-1.6 5,-2.8 1,-0.2 3,-0.6 0.924 114.1 47.9 -58.3 -41.7 15.0 0.2 -23.6 92 119 A D H ><5S+ 0 0 65 -4,-2.8 3,-1.6 1,-0.2 5,-0.3 0.861 102.2 60.3 -68.1 -36.6 15.9 -2.4 -26.3 93 120 A S H 3<5S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.782 106.9 49.0 -62.2 -24.2 16.2 -5.3 -23.8 94 121 A L T <<5S- 0 0 70 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.478 124.9-107.9 -90.7 -5.3 12.5 -4.6 -23.0 95 122 A G T < 5S+ 0 0 53 -3,-1.6 2,-0.4 -4,-0.2 3,-0.4 0.607 81.2 131.1 88.9 13.2 11.7 -4.5 -26.7 96 123 A F > < + 0 0 29 -5,-2.8 3,-1.3 1,-0.2 -4,-0.2 -0.201 18.1 138.8 -92.0 42.1 11.2 -0.8 -26.8 97 124 A S T 3 + 0 0 76 -2,-0.4 -1,-0.2 -5,-0.3 -5,-0.1 0.845 69.0 52.8 -55.3 -39.0 13.4 -0.3 -29.9 98 125 A T T 3 S+ 0 0 140 -3,-0.4 -1,-0.3 2,-0.1 2,-0.1 0.673 92.6 97.0 -73.4 -15.3 11.1 2.2 -31.5 99 126 A R S < S- 0 0 33 -3,-1.3 2,-0.3 1,-0.1 3,-0.1 -0.449 81.3-114.5 -76.3 147.0 11.1 4.3 -28.4 100 127 A E > - 0 0 118 -2,-0.1 3,-2.0 1,-0.1 22,-0.1 -0.603 40.4 -93.9 -81.9 141.3 13.4 7.3 -28.1 101 128 A E T 3 S+ 0 0 79 -2,-0.3 -14,-0.2 1,-0.2 -13,-0.1 -0.276 111.3 32.5 -55.8 130.7 16.1 7.1 -25.5 102 129 A G T 3 S+ 0 0 2 -16,-2.0 -31,-2.5 -15,-0.3 2,-1.1 0.097 82.3 121.6 108.8 -20.9 15.1 8.7 -22.2 103 130 A D B < -F 70 0B 7 -3,-2.0 -1,-0.2 -17,-0.3 -33,-0.2 -0.664 35.8-179.0 -82.3 100.3 11.4 7.8 -22.5 104 131 A L - 0 0 2 -35,-2.4 60,-2.7 -2,-1.1 61,-0.4 0.612 38.8-128.4 -72.8 -14.0 10.7 5.7 -19.4 105 132 A G - 0 0 0 -36,-0.5 2,-2.0 58,-0.2 -1,-0.3 -0.557 59.9 -17.8 95.9-165.0 7.1 5.3 -20.5 106 133 A P S S+ 0 0 0 0, 0.0 50,-0.1 0, 0.0 57,-0.1 -0.411 93.1 137.5 -77.0 66.4 4.0 6.0 -18.3 107 134 A V >> - 0 0 1 -2,-2.0 4,-1.8 55,-0.1 3,-0.7 -0.111 63.7 -35.3 -98.8-163.4 5.6 6.0 -14.9 108 135 A Y H 3> S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.669 131.1 41.8 -16.7 -73.2 5.5 8.1 -11.7 109 136 A G H 3> S+ 0 0 0 -41,-0.5 4,-1.7 1,-0.2 5,-0.3 0.925 115.3 49.4 -50.8 -54.0 4.9 11.6 -13.1 110 137 A F H <> S+ 0 0 1 -3,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.860 113.3 46.6 -56.1 -40.0 2.4 10.5 -15.7 111 138 A Q H X S+ 0 0 0 -4,-1.8 4,-0.8 -3,-0.2 22,-0.4 0.828 107.7 55.9 -75.1 -32.5 0.3 8.5 -13.2 112 139 A W H < S+ 0 0 3 -4,-2.1 22,-1.7 -5,-0.3 21,-0.9 0.864 124.7 22.5 -67.6 -34.3 0.2 11.2 -10.6 113 140 A R H < S+ 0 0 18 -4,-1.7 -2,-0.2 19,-0.2 -1,-0.2 0.654 137.4 23.3-108.7 -19.0 -1.3 13.7 -13.0 114 141 A H H >< + 0 0 31 -4,-2.4 3,-1.1 -5,-0.3 18,-0.2 -0.125 63.5 158.9-142.3 43.9 -3.0 11.7 -15.8 115 142 A F T 3< S+ 0 0 5 16,-1.7 15,-0.1 -4,-0.8 -1,-0.1 0.843 80.9 39.2 -36.5 -57.4 -3.8 8.3 -14.4 116 143 A G T 3 S+ 0 0 20 -5,-0.1 -1,-0.3 2,-0.1 14,-0.2 0.820 90.8 117.5 -68.2 -28.8 -6.5 7.6 -17.0 117 144 A A S < S- 0 0 5 -3,-1.1 2,-0.7 -7,-0.2 -3,-0.1 0.079 70.2-119.1 -41.7 144.4 -4.7 9.1 -19.9 118 145 A E - 0 0 148 8,-0.0 -1,-0.1 1,-0.0 -2,-0.1 -0.823 36.1-126.8 -90.2 112.6 -3.7 7.0 -22.9 119 146 A Y + 0 0 12 -2,-0.7 3,-0.1 1,-0.1 -1,-0.0 -0.296 39.9 159.7 -66.5 143.0 0.1 7.2 -23.1 120 147 A R - 0 0 123 1,-0.3 2,-0.3 -15,-0.0 -1,-0.1 0.496 58.4 -31.8-122.5 -86.6 1.9 8.1 -26.3 121 148 A D > - 0 0 69 -16,-0.1 3,-2.4 -22,-0.0 -1,-0.3 -0.949 58.9 -95.1-141.9 165.3 5.5 9.4 -25.7 122 149 A M T 3 S+ 0 0 15 -2,-0.3 -53,-0.4 1,-0.3 -52,-0.1 0.467 123.9 45.9 -56.8 -0.8 7.6 11.2 -23.2 123 150 A E T 3 S+ 0 0 133 -54,-0.1 -1,-0.3 -55,-0.1 -55,-0.0 0.408 83.9 117.2-123.2 -0.8 6.9 14.4 -25.2 124 151 A S S < S- 0 0 27 -3,-2.4 2,-0.8 1,-0.1 -5,-0.0 -0.194 70.2-109.5 -67.1 161.0 3.2 14.3 -25.8 125 152 A D + 0 0 110 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.836 42.8 163.5 -95.0 110.0 0.7 16.9 -24.4 126 153 A Y > + 0 0 18 -2,-0.8 3,-2.7 3,-0.1 -1,-0.1 0.527 23.7 135.6-104.1 -8.1 -1.4 15.2 -21.7 127 154 A S T 3 S+ 0 0 76 1,-0.3 3,-0.1 -13,-0.0 -13,-0.0 -0.050 76.4 17.1 -44.2 135.0 -2.8 18.4 -20.0 128 155 A G T 3 S+ 0 0 91 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.346 106.6 113.1 82.1 -8.0 -6.5 18.0 -19.3 129 156 A Q < - 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0 0 118 -2,-0.1 3,-2.0 1,-0.1 22,-0.1 -0.575 40.7 -94.0 -80.5 142.3 61.7 55.3 65.6 962 128 D E T 3 S+ 0 0 80 1,-0.2 -14,-0.2 -2,-0.2 -1,-0.1 -0.292 111.6 32.1 -57.0 130.7 58.5 57.3 65.5 963 129 D G T 3 S+ 0 0 1 -16,-2.0 -31,-2.5 -15,-0.2 2,-1.0 0.122 82.6 122.3 108.0 -19.2 58.0 58.9 62.1 964 130 D D B < -A 931 0K 6 -3,-2.0 -1,-0.2 -17,-0.3 -33,-0.2 -0.679 35.4-179.1 -83.0 102.1 59.6 56.0 60.2 965 131 D L - 0 0 1 -35,-2.4 60,-2.8 -2,-1.0 61,-0.4 0.617 38.7-128.1 -74.8 -14.6 56.9 54.8 57.8 966 132 D G - 0 0 0 -36,-0.5 2,-2.0 58,-0.2 -1,-0.3 -0.559 60.0 -18.8 96.6-165.5 59.2 52.1 56.4 967 133 D P S S+ 0 0 0 0, 0.0 50,-0.1 0, 0.0 57,-0.1 -0.439 93.3 137.9 -76.8 66.8 60.0 51.5 52.7 968 134 D V >> - 0 0 1 -2,-2.0 4,-1.7 55,-0.1 3,-0.6 -0.108 64.0 -35.4 -98.3-163.2 56.9 53.4 51.2 969 135 D Y H 3> S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.681 131.5 42.5 -17.7 -72.0 56.3 55.7 48.3 970 136 D G H 3> S+ 0 0 0 -41,-0.5 4,-1.7 1,-0.2 5,-0.3 0.933 114.7 49.1 -50.8 -55.6 59.5 57.7 48.3 971 137 D F H <> S+ 0 0 1 -3,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.850 113.4 46.3 -55.4 -40.0 61.8 54.8 48.8 972 138 D Q H X S+ 0 0 0 -4,-1.7 4,-0.8 2,-0.2 22,-0.4 0.821 107.4 56.7 -75.5 -32.4 60.3 52.7 46.0 973 139 D W H < S+ 0 0 4 -4,-2.1 22,-1.6 -5,-0.3 21,-1.1 0.890 124.4 22.0 -66.5 -36.7 60.2 55.5 43.5 974 140 D R H < S+ 0 0 20 -4,-1.7 -2,-0.2 19,-0.2 -1,-0.2 0.652 137.8 23.4-106.8 -17.8 63.9 56.0 43.8 975 141 D H H >< + 0 0 31 -4,-2.3 3,-1.1 -5,-0.3 18,-0.2 -0.121 63.5 159.1-142.6 43.0 65.4 52.8 45.2 976 142 D F T 3< S+ 0 0 4 16,-1.7 15,-0.1 -4,-0.8 -1,-0.1 0.836 81.0 39.2 -35.9 -57.7 63.0 49.9 44.4 977 143 D G T 3 S+ 0 0 24 -5,-0.1 -1,-0.3 2,-0.1 14,-0.2 0.815 90.6 116.5 -68.2 -28.6 65.6 47.2 44.7 978 144 D A S < S- 0 0 6 -3,-1.1 2,-0.7 -7,-0.2 -3,-0.1 0.070 70.6-118.2 -42.4 146.6 67.4 48.7 47.7 979 145 D E - 0 0 145 8,-0.0 -1,-0.1 12,-0.0 -2,-0.1 -0.834 36.4-125.9 -90.9 113.1 67.4 46.8 51.1 980 146 D Y + 0 0 14 -2,-0.7 3,-0.1 1,-0.1 -1,-0.0 -0.274 40.4 159.1 -66.6 143.8 65.6 49.0 53.6 981 147 D R - 0 0 122 1,-0.3 2,-0.3 -15,-0.0 -1,-0.1 0.461 58.4 -31.5-123.9 -87.4 67.2 50.0 56.9 982 148 D D > - 0 0 69 -16,-0.1 3,-2.4 -22,-0.0 -1,-0.3 -0.944 58.5 -95.9-141.2 165.1 65.7 53.1 58.5 983 149 D M T 3 S+ 0 0 16 -2,-0.3 -53,-0.4 1,-0.3 -52,-0.1 0.480 123.9 46.2 -56.4 -1.7 64.0 56.4 57.5 984 150 D E T 3 S+ 0 0 134 -54,-0.1 -1,-0.3 -55,-0.1 -55,-0.0 0.418 84.0 117.9-122.7 -0.4 67.5 58.0 57.9 985 151 D S < - 0 0 28 -3,-2.4 2,-0.8 1,-0.1 -5,-0.0 -0.207 69.6-110.6 -68.0 158.9 69.7 55.6 56.0 986 152 D D + 0 0 113 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.820 42.7 163.2 -93.9 108.2 71.7 56.6 52.9 987 153 D Y > + 0 0 17 -2,-0.8 3,-2.7 3,-0.1 -1,-0.1 0.522 23.5 135.3-103.4 -7.6 70.3 54.9 49.9 988 154 D S T 3 S+ 0 0 77 1,-0.3 3,-0.1 -13,-0.0 -13,-0.1 -0.067 76.1 17.9 -45.5 135.9 71.8 57.0 47.1 989 155 D G T 3 S+ 0 0 92 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.335 106.8 111.9 82.3 -8.3 73.2 54.8 44.3 990 156 D Q < - 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