==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-SEP-12 4H1I . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.BRUNN,S.DIBROV,T.HERMANN . 1124 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 781 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 14.4 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 3 0.3 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 . 133 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 3 2 4 4 1 2 0 3 3 2 3 0 0 0 1 3 0 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 . 7 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 26 A P 0 0 175 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 133.3 -51.7 -1.0 148.4 2 27 A P - 0 0 121 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.465 360.0 -86.2 -80.7 161.2 -55.1 -2.9 148.7 3 28 A H - 0 0 47 -2,-0.1 3,-0.3 1,-0.1 4,-0.1 -0.338 25.0-138.7 -69.0 147.5 -56.3 -4.2 152.1 4 29 A G S >> S+ 0 0 18 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.744 101.1 61.5 -77.0 -24.6 -55.2 -7.6 153.2 5 30 A E H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.682 84.7 77.5 -76.3 -17.6 -58.6 -8.6 154.5 6 31 A L H 3> S+ 0 0 89 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.686 89.9 57.8 -65.4 -17.1 -60.0 -8.2 151.0 7 32 A Q H <> S+ 0 0 79 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.896 105.7 47.4 -75.4 -43.8 -58.5 -11.6 150.3 8 33 A Y H X S+ 0 0 0 -4,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.903 113.7 47.2 -63.1 -44.3 -60.4 -13.2 153.1 9 34 A L H X S+ 0 0 6 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.867 110.5 53.2 -65.6 -37.3 -63.7 -11.6 152.0 10 35 A G H X S+ 0 0 27 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.835 104.3 55.7 -66.2 -33.8 -63.0 -12.6 148.4 11 36 A Q H X S+ 0 0 16 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.822 107.4 49.9 -67.8 -32.1 -62.5 -16.2 149.5 12 37 A I H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 5,-0.2 0.911 106.8 54.5 -70.8 -43.6 -66.0 -16.1 151.0 13 38 A Q H X S+ 0 0 116 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.891 109.0 49.7 -53.2 -42.9 -67.4 -14.7 147.8 14 39 A H H X>S+ 0 0 89 -4,-1.8 4,-3.2 2,-0.2 5,-0.7 0.924 111.3 46.3 -66.2 -47.0 -65.9 -17.7 145.9 15 40 A I H X5S+ 0 0 0 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.883 113.9 49.7 -63.9 -39.0 -67.3 -20.3 148.3 16 41 A L H <5S+ 0 0 28 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.855 122.8 33.5 -66.0 -35.2 -70.7 -18.6 148.3 17 42 A R H <5S+ 0 0 192 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.962 137.2 13.9 -84.3 -63.2 -70.6 -18.6 144.4 18 43 A C H <5S+ 0 0 78 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.360 94.2 118.9-102.2 4.5 -68.7 -21.7 143.3 19 44 A G << - 0 0 0 -4,-1.0 2,-0.2 -5,-0.7 14,-0.2 -0.440 50.6-145.3 -74.3 144.8 -68.7 -23.7 146.5 20 45 A V E -A 32 0A 37 12,-2.4 12,-4.5 -2,-0.1 2,-0.3 -0.705 24.7 -91.3-109.6 162.5 -70.4 -27.1 146.6 21 46 A R E +A 31 0A 21 10,-0.3 2,-0.3 -2,-0.2 10,-0.2 -0.515 50.3 161.0 -76.7 133.1 -72.3 -29.0 149.3 22 47 A K E -A 30 0A 4 8,-2.5 8,-2.3 -2,-0.3 2,-0.2 -0.986 27.2-135.4-153.1 140.8 -70.3 -31.3 151.6 23 48 A D E -A 29 0A 32 -2,-0.3 6,-0.5 6,-0.2 5,-0.1 -0.588 10.0-146.9 -95.8 157.0 -70.9 -32.8 155.0 24 49 A D - 0 0 18 4,-5.9 -1,-0.1 -2,-0.2 688,-0.1 0.188 52.0 -67.3 -91.9-139.2 -68.5 -33.1 158.0 25 50 A R S S+ 0 0 157 1,-0.2 688,-0.1 2,-0.0 -2,-0.0 0.610 129.7 49.8 -91.9 -13.5 -68.5 -35.9 160.5 26 51 A T S S- 0 0 115 2,-0.4 -1,-0.2 0, 0.0 3,-0.1 0.473 120.5 -95.3-105.8 -4.5 -71.9 -35.2 162.1 27 52 A G S S+ 0 0 42 1,-0.6 2,-0.1 -3,-0.1 -2,-0.0 -0.122 75.7 150.6 112.7 -36.5 -74.0 -34.9 158.9 28 53 A T - 0 0 53 1,-0.2 -4,-5.9 -5,-0.1 -1,-0.6 -0.466 41.3-117.0 -60.7 140.4 -73.7 -31.1 158.7 29 54 A G E +A 23 0A 9 -6,-0.5 205,-2.0 -2,-0.1 206,-0.3 -0.644 34.1 159.9 132.3 47.5 -73.8 -29.4 156.3 30 55 A T E -AB 22 233A 0 -8,-2.3 -8,-2.5 203,-0.2 2,-0.6 -0.785 37.5-122.4-129.5 165.7 -71.4 -27.1 154.5 31 56 A L E -AB 21 232A 0 201,-3.1 201,-2.7 -2,-0.3 -10,-0.3 -0.962 47.4-166.0-106.8 114.6 -70.5 -25.3 151.3 32 57 A S E -AB 20 231A 1 -12,-4.5 -12,-2.4 -2,-0.6 2,-0.3 -0.688 26.8-177.5-115.2 156.6 -67.0 -26.4 150.4 33 58 A V E - B 0 230A 14 197,-2.1 197,-2.6 -2,-0.2 2,-0.7 -0.983 22.4-137.6-143.0 137.7 -64.1 -25.6 148.2 34 59 A F E S+ B 0 229A 8 -2,-0.3 195,-0.2 195,-0.2 194,-0.1 -0.861 71.1 15.1-105.1 109.8 -60.8 -27.5 147.9 35 60 A G E + 0 0 4 193,-2.6 2,-0.3 -2,-0.7 193,-0.2 0.758 62.8 160.6 102.0 98.1 -57.6 -25.5 147.8 36 61 A M E - B 0 227A 18 191,-1.8 191,-2.2 -3,-0.1 2,-0.3 -0.919 13.7-169.0-137.6 165.9 -57.1 -21.8 148.5 37 62 A Q E + B 0 226A 42 -2,-0.3 2,-0.3 189,-0.2 189,-0.2 -0.891 5.0 177.4-160.8 126.5 -54.3 -19.4 149.4 38 63 A A E - B 0 225A 1 187,-2.1 187,-3.3 -2,-0.3 2,-0.5 -0.970 19.9-139.4-130.1 147.7 -54.1 -15.9 150.7 39 64 A R E - B 0 224A 75 -2,-0.3 2,-0.6 185,-0.2 185,-0.2 -0.921 13.7-168.1-111.3 124.5 -51.1 -13.7 151.6 40 65 A Y E - B 0 223A 1 183,-2.8 183,-3.3 -2,-0.5 2,-0.2 -0.933 15.9-139.5-116.0 113.6 -51.1 -11.4 154.6 41 66 A S E - B 0 222A 37 -2,-0.6 181,-0.3 181,-0.3 -37,-0.1 -0.482 13.4-171.5 -68.9 135.3 -48.4 -8.8 155.1 42 67 A L > + 0 0 0 179,-3.7 3,-0.9 -2,-0.2 2,-0.9 0.308 43.4 128.3-106.3 4.7 -47.2 -8.5 158.6 43 68 A R T 3 S- 0 0 73 178,-0.4 178,-0.1 1,-0.3 3,-0.1 -0.517 95.2 -29.6 -74.0 102.1 -45.1 -5.4 157.8 44 69 A D T 3 S+ 0 0 134 -2,-0.9 -1,-0.3 1,-0.1 2,-0.3 0.766 131.9 71.9 60.3 28.8 -46.0 -2.7 160.3 45 70 A E S < S- 0 0 69 -3,-0.9 208,-0.2 209,-0.1 -1,-0.1 -0.956 71.4-135.0-164.6 153.6 -49.5 -4.1 160.5 46 71 A F - 0 0 1 206,-1.8 2,-3.1 -2,-0.3 -4,-0.1 -0.965 20.6-129.5-122.2 122.3 -51.3 -7.1 162.0 47 72 A P + 0 0 0 0, 0.0 2,-0.7 0, 0.0 159,-0.1 -0.292 50.8 147.7 -70.3 62.1 -53.9 -9.1 160.1 48 73 A L - 0 0 0 -2,-3.1 -2,-0.1 154,-0.1 -43,-0.1 -0.900 54.8-113.9 -97.1 112.0 -56.6 -9.1 162.8 49 74 A L - 0 0 0 -2,-0.7 5,-0.3 150,-0.3 -1,-0.0 -0.014 28.7-169.2 -56.3 147.2 -59.8 -9.0 160.8 50 75 A T S S+ 0 0 0 199,-0.1 229,-2.1 228,-0.1 -1,-0.1 0.496 72.7 76.8-118.5 -9.8 -62.0 -6.0 161.0 51 76 A T S S+ 0 0 0 1,-0.2 2,-0.3 227,-0.2 195,-0.1 0.477 116.0 10.4 -82.4 -0.5 -65.3 -6.9 159.4 52 77 A K S S- 0 0 27 229,-0.0 -1,-0.2 -3,-0.0 2,-0.2 -0.918 94.4 -91.4-166.4 152.8 -66.0 -8.8 162.6 53 78 A R - 0 0 168 226,-0.4 2,-0.4 -2,-0.3 -3,-0.1 -0.475 35.6-151.0 -71.9 136.7 -64.4 -9.0 166.1 54 79 A V - 0 0 10 -5,-0.3 2,-2.2 -2,-0.2 3,-0.2 -0.922 23.4-116.5-110.0 134.9 -61.8 -11.6 166.6 55 80 A F > + 0 0 102 -2,-0.4 4,-2.2 1,-0.2 3,-0.3 -0.446 42.0 170.1 -69.4 80.4 -61.2 -13.2 170.0 56 81 A W H > S+ 0 0 40 -2,-2.2 4,-3.5 1,-0.2 5,-0.3 0.859 74.2 56.9 -63.0 -38.4 -57.6 -11.9 170.4 57 82 A K H > S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.871 109.9 46.8 -60.9 -36.3 -57.4 -12.9 174.1 58 83 A G H > S+ 0 0 0 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.907 113.2 49.3 -68.1 -43.3 -58.2 -16.4 172.9 59 84 A V H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.954 116.4 40.7 -59.0 -54.0 -55.6 -16.2 170.2 60 85 A L H X S+ 0 0 7 -4,-3.5 4,-1.8 1,-0.2 5,-0.2 0.933 116.6 46.7 -62.3 -50.8 -52.9 -14.9 172.4 61 86 A E H X S+ 0 0 25 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.2 0.731 110.6 53.4 -71.0 -23.2 -53.5 -17.2 175.4 62 87 A E H X S+ 0 0 13 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.864 106.4 51.9 -77.6 -37.8 -53.9 -20.3 173.3 63 88 A L H X S+ 0 0 0 -4,-1.5 4,-3.4 2,-0.2 5,-0.2 0.938 109.7 47.7 -66.0 -47.9 -50.5 -19.9 171.6 64 89 A L H X S+ 0 0 22 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.896 110.4 54.5 -56.4 -41.1 -48.6 -19.4 174.9 65 90 A W H X>S+ 0 0 4 -4,-1.1 5,-1.6 2,-0.2 4,-0.8 0.882 111.5 44.4 -59.3 -40.8 -50.5 -22.5 176.0 66 91 A F H ><5S+ 0 0 4 -4,-2.0 3,-0.8 2,-0.2 -2,-0.2 0.937 113.0 50.4 -65.1 -49.9 -49.2 -24.3 172.9 67 92 A I H 3<5S+ 0 0 5 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.843 103.9 58.6 -60.5 -36.9 -45.7 -22.9 173.4 68 93 A K H 3<5S- 0 0 115 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.855 112.3-124.3 -57.9 -34.6 -45.7 -24.1 177.0 69 94 A G T <<5 + 0 0 16 -4,-0.8 -3,-0.2 -3,-0.8 -2,-0.1 0.580 53.8 161.2 94.4 15.3 -46.3 -27.6 175.6 70 95 A S < + 0 0 8 -5,-1.6 41,-0.3 1,-0.1 -1,-0.2 -0.333 25.4 176.4 -72.2 153.0 -49.4 -28.0 177.7 71 96 A T + 0 0 5 53,-0.3 35,-1.4 40,-0.1 2,-0.6 0.264 52.9 99.3-139.6 -0.2 -51.9 -30.6 176.7 72 97 A N B > -F 105 0B 14 52,-0.2 3,-1.2 33,-0.2 4,-0.5 -0.862 60.0-154.6 -99.2 115.2 -54.3 -30.1 179.6 73 98 A A T 3> S+ 0 0 4 31,-1.5 4,-2.0 -2,-0.6 3,-0.4 0.667 92.1 65.6 -65.2 -17.9 -57.3 -28.0 178.7 74 99 A K H 3> S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.855 93.7 59.2 -69.0 -36.1 -57.7 -27.0 182.4 75 100 A E H <4 S+ 0 0 86 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.685 111.9 41.0 -67.2 -18.5 -54.4 -25.1 182.2 76 101 A L H >4>S+ 0 0 2 -4,-0.5 3,-1.6 -3,-0.4 5,-1.1 0.809 108.7 58.1 -92.5 -39.7 -55.9 -23.0 179.5 77 102 A S H ><5S+ 0 0 22 -4,-2.0 3,-2.0 1,-0.3 -2,-0.2 0.774 93.4 68.8 -63.1 -27.6 -59.4 -22.6 181.0 78 103 A S T 3<5S+ 0 0 90 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.749 95.4 56.3 -62.6 -23.8 -57.8 -21.0 184.1 79 104 A K T < 5S- 0 0 90 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.338 126.4-102.2 -90.6 5.2 -56.9 -18.1 181.8 80 105 A G T < 5S+ 0 0 34 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.592 83.9 126.5 87.0 11.9 -60.6 -17.7 180.9 81 106 A V < + 0 0 0 -5,-1.1 3,-0.3 1,-0.1 -1,-0.2 -0.916 28.6 173.5-107.1 119.0 -60.3 -19.3 177.5 82 107 A K >> + 0 0 120 -2,-0.6 3,-0.8 1,-0.2 4,-0.6 0.242 43.5 110.1-110.2 11.8 -62.8 -22.1 176.9 83 108 A I T 34 S+ 0 0 79 1,-0.2 -1,-0.2 2,-0.1 -10,-0.0 0.650 89.5 34.7 -69.0 -14.0 -62.3 -23.0 173.3 84 109 A W T >> S+ 0 0 19 -3,-0.3 3,-1.1 -11,-0.2 4,-0.6 0.481 92.8 92.4-113.5 -7.3 -60.7 -26.4 174.1 85 110 A D G X4 S+ 0 0 45 -3,-0.8 3,-1.8 1,-0.2 4,-0.2 0.887 77.6 58.0 -59.4 -48.1 -62.6 -27.4 177.2 86 111 A A G 3< S+ 0 0 72 -4,-0.6 3,-0.4 1,-0.3 -1,-0.2 0.676 102.9 56.7 -61.0 -18.5 -65.4 -29.4 175.6 87 112 A N G <4 S+ 0 0 36 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.663 108.0 45.9 -86.9 -18.8 -62.9 -31.7 174.1 88 113 A G S << S+ 0 0 3 -3,-1.8 16,-1.9 -4,-0.6 17,-0.3 0.187 87.2 139.9-105.0 13.0 -61.3 -32.6 177.5 89 114 A S > - 0 0 32 -3,-0.4 4,-1.8 -4,-0.2 5,-0.2 -0.207 66.5-116.0 -59.0 148.2 -64.8 -33.1 179.0 90 115 A R T 4 S+ 0 0 158 1,-0.2 -1,-0.1 2,-0.2 13,-0.1 0.241 114.7 33.4 -70.9 12.7 -65.3 -36.0 181.5 91 116 A D T > S+ 0 0 104 3,-0.0 4,-1.2 2,-0.0 -1,-0.2 0.527 110.5 57.3-133.9 -41.1 -67.8 -37.5 179.0 92 117 A F H > S+ 0 0 84 1,-0.2 4,-0.9 2,-0.2 6,-0.2 0.805 104.3 57.7 -64.1 -30.4 -66.5 -36.7 175.6 93 118 A L H ><>S+ 0 0 1 -4,-1.8 5,-1.8 1,-0.2 3,-0.5 0.897 106.3 47.3 -66.8 -40.4 -63.2 -38.4 176.5 94 119 A D H >45S+ 0 0 78 -5,-0.2 3,-0.9 1,-0.2 -1,-0.2 0.734 102.0 66.6 -70.7 -23.3 -65.1 -41.6 177.2 95 120 A S H 3<5S+ 0 0 92 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.820 103.3 44.7 -65.3 -31.6 -66.9 -41.1 173.9 96 121 A L T <<5S- 0 0 70 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.364 127.1-103.6 -91.9 3.3 -63.6 -41.7 172.2 97 122 A G T < 5S+ 0 0 53 -3,-0.9 2,-2.4 1,-0.1 3,-0.3 0.288 83.4 132.1 93.3 -8.4 -63.0 -44.6 174.5 98 123 A F < + 0 0 32 -5,-1.8 -3,-0.1 1,-0.2 -1,-0.1 -0.426 15.1 143.1 -78.0 70.0 -60.5 -42.7 176.6 99 124 A S + 0 0 81 -2,-2.4 -1,-0.2 -5,-0.2 -5,-0.1 0.659 66.0 58.4 -83.4 -17.7 -62.1 -43.7 179.9 100 125 A T S S+ 0 0 146 -3,-0.3 -1,-0.2 -7,-0.1 2,-0.1 0.768 86.0 92.9 -83.0 -27.9 -58.7 -44.0 181.7 101 126 A R S S- 0 0 34 -8,-0.1 2,-0.1 4,-0.1 3,-0.1 -0.422 76.8-126.2 -67.3 138.5 -57.8 -40.4 181.0 102 127 A E > - 0 0 134 1,-0.2 3,-1.9 -2,-0.1 -1,-0.1 -0.412 49.9 -62.9 -78.4 162.7 -58.6 -37.9 183.7 103 128 A E T 3 S+ 0 0 59 1,-0.2 -14,-0.2 -2,-0.1 -1,-0.2 -0.229 124.4 26.4 -51.7 119.7 -60.7 -34.7 182.9 104 129 A G T 3 S+ 0 0 2 -16,-1.9 -31,-1.5 1,-0.2 2,-1.3 0.195 76.9 141.3 114.7 -12.7 -58.8 -32.5 180.5 105 130 A D B < +F 72 0B 5 -3,-1.9 -1,-0.2 -17,-0.3 -33,-0.2 -0.465 14.1 165.6 -75.5 94.2 -56.6 -35.1 178.7 106 131 A L - 0 0 0 -35,-1.4 60,-1.2 -2,-1.3 61,-0.2 0.654 38.8-140.2 -76.9 -17.8 -56.5 -34.1 175.1 107 132 A G - 0 0 0 -36,-0.3 2,-1.9 58,-0.2 -1,-0.3 -0.561 60.5 -10.8 84.2-156.2 -53.6 -36.5 174.3 108 133 A P S S+ 0 0 0 0, 0.0 50,-0.2 0, 0.0 57,-0.1 -0.480 86.5 149.0 -82.9 71.3 -50.7 -35.5 172.0 109 134 A V >> - 0 0 2 -2,-1.9 4,-2.3 55,-0.1 3,-0.6 0.111 63.7 -55.2 -84.4-157.2 -52.1 -32.3 170.4 110 135 A Y H 3> S+ 0 0 12 1,-0.2 4,-3.5 2,-0.2 3,-0.5 0.926 130.6 50.7 -48.7 -66.6 -50.2 -29.2 169.2 111 136 A G H 3> S+ 0 0 0 -41,-0.3 4,-1.0 1,-0.3 -1,-0.2 0.758 116.3 43.4 -48.4 -32.6 -48.2 -28.3 172.3 112 137 A F H <> S+ 0 0 1 -3,-0.6 4,-1.9 -42,-0.2 -1,-0.3 0.832 115.3 47.9 -81.9 -35.8 -47.0 -31.8 172.7 113 138 A Q H < S+ 0 0 0 -4,-2.3 4,-0.4 -3,-0.5 22,-0.3 0.872 112.0 50.8 -70.6 -37.5 -46.2 -32.2 168.9 114 139 A W H < S+ 0 0 2 -4,-3.5 22,-1.4 -5,-0.2 21,-0.5 0.870 125.1 23.7 -67.9 -39.4 -44.4 -28.9 168.8 115 140 A R H < S+ 0 0 12 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.649 135.2 27.4-104.6 -18.8 -42.1 -29.5 171.7 116 141 A H S >< S+ 0 0 28 -4,-1.9 3,-1.1 16,-0.1 2,-0.2 -0.291 70.2 173.3-144.4 54.9 -41.9 -33.3 171.9 117 142 A F T 3 S+ 0 0 2 16,-2.0 16,-0.3 -4,-0.4 3,-0.1 -0.458 72.7 17.8 -68.8 132.9 -42.5 -34.9 168.5 118 143 A G T 3 S+ 0 0 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