==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-JAN-00 1EE9 . COMPND 2 MOLECULE: 5,10-METHYLENETETRAHYDROFOLATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.F.MONZINGO,A.BREKSA,S.ERNST,D.R.APPLING,J.D.ROBERTUS . 317 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.0 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 . 1 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 . 1 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 . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 1 0 1 0 2 0 2 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 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 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 3 A K 0 0 116 0, 0.0 284,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.7 -23.6 34.1 -5.6 2 4 A P - 0 0 95 0, 0.0 282,-0.3 0, 0.0 2,-0.2 -0.261 360.0-111.8 -60.6 146.5 -21.0 32.2 -7.6 3 5 A G - 0 0 9 280,-1.8 285,-0.2 1,-0.1 284,-0.2 -0.522 27.9-116.3 -82.9 148.9 -17.3 33.0 -7.1 4 6 A R E -a 288 0A 152 283,-1.4 285,-0.6 -2,-0.2 2,-0.4 -0.058 21.6-132.8 -71.8 176.5 -15.2 34.6 -9.9 5 7 A T E -a 289 0A 52 283,-0.2 2,-0.5 285,-0.1 285,-0.2 -0.991 13.1-160.6-139.3 125.2 -12.2 33.0 -11.5 6 8 A I - 0 0 0 283,-2.2 2,-0.3 -2,-0.4 154,-0.0 -0.933 14.1-137.9-110.4 129.9 -8.9 34.7 -12.0 7 9 A L > - 0 0 108 -2,-0.5 4,-1.4 283,-0.1 3,-0.2 -0.654 16.7-126.5 -87.2 144.2 -6.4 33.4 -14.5 8 10 A A H > S+ 0 0 9 284,-0.4 4,-2.5 -2,-0.3 3,-0.2 0.870 111.4 59.2 -52.8 -39.2 -2.7 33.2 -13.8 9 11 A S H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.945 100.0 54.2 -55.9 -51.2 -2.1 35.1 -17.0 10 12 A K H > S+ 0 0 111 1,-0.2 4,-0.6 -3,-0.2 -1,-0.2 0.843 110.5 47.3 -53.2 -39.6 -4.2 38.1 -15.8 11 13 A V H >X S+ 0 0 0 -4,-1.4 3,-1.2 1,-0.2 4,-0.5 0.943 110.1 51.5 -68.3 -47.4 -2.1 38.3 -12.6 12 14 A A H >X S+ 0 0 14 -4,-2.5 4,-1.0 1,-0.3 3,-0.9 0.797 94.4 74.5 -59.6 -29.1 1.2 38.0 -14.6 13 15 A E H >X S+ 0 0 116 -4,-2.2 3,-0.8 1,-0.2 4,-0.6 0.875 87.7 62.6 -50.1 -41.8 -0.1 40.9 -16.7 14 16 A T H << S+ 0 0 83 -3,-1.2 4,-0.5 -4,-0.6 3,-0.3 0.872 103.1 46.5 -52.8 -44.5 0.6 43.2 -13.8 15 17 A F H S+ 0 0 75 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.976 114.8 44.9 -61.8 -58.3 8.0 46.4 -14.7 19 21 A I H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.927 111.2 53.8 -52.2 -53.2 9.9 43.4 -16.1 20 22 A I H >X S+ 0 0 48 -4,-3.0 4,-2.2 -5,-0.3 3,-0.7 0.944 107.7 48.9 -47.8 -62.0 10.1 44.9 -19.6 21 23 A N H 3X S+ 0 0 100 -4,-1.8 4,-1.9 1,-0.3 -1,-0.2 0.845 109.4 52.8 -49.5 -42.2 11.6 48.3 -18.5 22 24 A N H 3X S+ 0 0 47 -4,-1.9 4,-1.7 1,-0.2 -1,-0.3 0.911 109.6 49.7 -61.7 -40.8 14.2 46.5 -16.4 23 25 A V H S+ 0 0 45 -4,-2.8 5,-2.2 2,-0.2 6,-0.3 0.879 104.6 54.0 -54.8 -43.9 20.0 45.8 -23.1 28 30 A K H ><5S+ 0 0 137 -4,-2.0 3,-0.9 1,-0.2 4,-0.3 0.987 113.2 39.4 -53.6 -68.5 21.6 49.3 -23.2 29 31 A T H 3<5S+ 0 0 100 -4,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.778 116.2 53.5 -53.4 -33.6 24.5 48.5 -21.0 30 32 A H T ><5S- 0 0 50 -4,-2.3 3,-1.9 -5,-0.2 -1,-0.3 -0.329 119.4-102.1-103.9 52.3 24.9 45.0 -22.5 31 33 A N T < 5S- 0 0 139 -3,-0.9 -3,-0.2 -2,-0.3 2,-0.2 0.794 77.9 -48.4 29.2 64.5 25.1 46.2 -26.2 32 34 A G T 3 - 0 0 65 -2,-1.1 4,-2.5 1,-0.1 5,-0.2 -0.989 53.6-148.9-130.4 123.9 6.0 14.7 -19.5 46 48 A P H > S+ 0 0 105 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.887 102.0 50.8 -53.2 -42.4 3.5 16.5 -21.8 47 49 A A H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.927 109.2 48.7 -64.1 -48.3 2.7 19.0 -19.1 48 50 A A H > S+ 0 0 10 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.928 112.1 50.0 -58.9 -44.7 6.3 19.9 -18.3 49 51 A K H X S+ 0 0 99 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.906 110.2 50.3 -60.2 -43.7 6.9 20.4 -22.1 50 52 A M H X S+ 0 0 96 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.948 113.0 45.7 -59.5 -48.5 3.9 22.6 -22.4 51 53 A Y H X S+ 0 0 47 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.908 110.2 54.5 -60.9 -44.4 5.1 24.7 -19.4 52 54 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.909 107.8 50.1 -56.3 -44.1 8.6 24.8 -20.8 53 55 A T H X S+ 0 0 40 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.899 109.5 52.0 -62.2 -40.8 7.2 26.2 -24.0 54 56 A W H X S+ 0 0 106 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.942 110.3 46.5 -60.8 -50.4 5.3 28.8 -22.1 55 57 A T H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.909 112.5 53.3 -57.7 -43.8 8.4 30.0 -20.2 56 58 A Q H X S+ 0 0 31 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.964 114.1 38.9 -54.8 -59.9 10.2 30.0 -23.5 57 59 A K H X S+ 0 0 115 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.898 116.0 51.4 -61.1 -45.8 7.7 32.3 -25.3 58 60 A T H X S+ 0 0 41 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.932 113.6 43.8 -59.7 -47.2 7.0 34.5 -22.3 59 61 A S H X>S+ 0 0 0 -4,-2.6 5,-2.4 -5,-0.3 4,-2.1 0.947 115.3 47.2 -64.6 -49.0 10.7 35.2 -21.7 60 62 A E H <5S+ 0 0 76 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.913 109.8 55.7 -57.6 -43.1 11.5 35.7 -25.4 61 63 A S H <5S+ 0 0 94 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.911 108.9 46.5 -55.5 -46.1 8.5 38.0 -25.6 62 64 A M H <5S- 0 0 19 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.833 130.6 -92.5 -67.2 -34.4 9.9 40.2 -22.7 63 65 A G T <5S+ 0 0 21 -4,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.600 76.7 139.8 126.4 26.2 13.3 40.3 -24.3 64 66 A F < - 0 0 7 -5,-2.4 2,-1.3 -30,-0.2 -1,-0.3 -0.783 55.7-125.6-100.0 142.1 15.2 37.4 -22.8 65 67 A R E -h 36 0B 77 -30,-2.7 -28,-2.4 -2,-0.4 2,-0.5 -0.751 39.6-169.6 -85.0 95.6 17.6 35.2 -24.7 66 68 A Y E -h 37 0B 19 -2,-1.3 2,-0.4 -30,-0.2 -28,-0.2 -0.813 12.8-176.3 -96.4 132.6 16.0 31.9 -23.8 67 69 A D E -h 38 0B 62 -30,-2.2 -28,-2.9 -2,-0.5 2,-0.7 -0.984 13.4-155.8-125.5 131.9 17.6 28.5 -24.6 68 70 A L E -h 39 0B 28 -2,-0.4 2,-1.0 -30,-0.2 -28,-0.2 -0.738 10.3-168.7-112.0 82.6 15.9 25.2 -23.9 69 71 A R E -h 40 0B 54 -2,-0.7 -28,-1.0 -30,-0.7 2,-0.4 -0.603 10.6-159.9 -74.9 102.3 18.7 22.7 -23.5 70 72 A V E -h 41 0B 92 -2,-1.0 2,-0.4 -30,-0.2 -28,-0.2 -0.728 0.8-152.9 -87.8 132.2 16.9 19.3 -23.5 71 73 A I - 0 0 25 -30,-2.6 3,-0.1 -2,-0.4 6,-0.1 -0.862 8.6-160.9-108.1 139.4 18.7 16.3 -22.1 72 74 A E S S+ 0 0 183 -2,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.974 78.3 41.0 -78.5 -71.9 18.0 12.7 -23.1 73 75 A D S > S- 0 0 81 1,-0.1 3,-2.1 2,-0.0 4,-0.4 -0.736 79.2-135.4 -88.4 121.7 19.4 10.6 -20.2 74 76 A K T >> S+ 0 0 84 -2,-0.6 3,-2.1 1,-0.3 4,-0.5 0.788 97.3 61.4 -36.4 -54.7 18.7 11.9 -16.7 75 77 A D H 3> S+ 0 0 109 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.706 99.3 56.2 -54.2 -25.4 22.2 11.4 -15.3 76 78 A F H <> S+ 0 0 110 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.599 84.3 82.1 -86.0 -8.4 23.9 13.7 -17.8 77 79 A L H <> S+ 0 0 0 -3,-2.1 4,-2.0 -4,-0.4 -1,-0.2 0.892 89.7 55.7 -60.3 -37.4 21.6 16.6 -16.8 78 80 A E H X S+ 0 0 63 -4,-0.5 4,-2.0 -3,-0.4 3,-0.5 0.966 106.0 48.0 -58.8 -56.2 24.0 17.2 -13.9 79 81 A E H X S+ 0 0 129 -4,-0.6 4,-1.9 1,-0.3 5,-0.3 0.900 109.1 55.4 -51.6 -44.7 27.0 17.5 -16.1 80 82 A A H X S+ 0 0 16 -4,-2.2 4,-1.7 1,-0.2 -1,-0.3 0.887 105.6 51.9 -56.7 -42.3 25.1 19.9 -18.3 81 83 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 -3,-0.5 -1,-0.2 0.898 106.1 56.0 -63.3 -40.2 24.4 22.1 -15.3 82 84 A I H X S+ 0 0 91 -4,-2.0 4,-1.8 2,-0.2 3,-0.3 0.955 110.4 40.5 -58.5 -57.0 28.1 22.2 -14.4 83 85 A Q H X S+ 0 0 133 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.824 114.2 56.7 -63.0 -29.1 29.4 23.6 -17.7 84 86 A A H < S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.866 102.0 55.1 -68.4 -37.5 26.3 25.9 -17.7 85 87 A N H < S+ 0 0 30 -4,-2.2 -2,-0.2 -3,-0.3 -1,-0.2 0.950 111.9 43.6 -59.7 -47.3 27.4 27.3 -14.4 86 88 A G H < S+ 0 0 52 -4,-1.8 2,-0.9 -5,-0.1 -1,-0.2 0.711 88.1 103.2 -71.3 -22.5 30.8 28.1 -15.9 87 89 A D >< - 0 0 47 -4,-1.2 3,-1.0 1,-0.2 -1,-0.0 -0.512 55.4-166.5 -67.2 101.5 29.2 29.5 -19.0 88 90 A D T 3 S+ 0 0 145 -2,-0.9 -1,-0.2 1,-0.3 -4,-0.0 0.826 85.2 64.5 -57.8 -34.4 29.5 33.3 -18.5 89 91 A S T 3 S+ 0 0 68 -3,-0.1 -53,-0.5 -54,-0.1 2,-0.4 0.850 86.8 84.0 -58.8 -35.6 27.1 33.9 -21.4 90 92 A V < + 0 0 1 -3,-1.0 -53,-0.2 -6,-0.2 3,-0.1 -0.589 53.4 176.5 -73.6 123.5 24.4 32.1 -19.3 91 93 A N + 0 0 34 -55,-2.5 2,-0.3 -2,-0.4 -54,-0.2 0.632 65.8 18.8-101.2 -20.1 22.8 34.6 -16.9 92 94 A G E -i 37 0B 0 -56,-1.7 -54,-3.0 25,-0.0 2,-0.4 -0.994 59.9-162.0-153.3 147.4 20.2 32.3 -15.5 93 95 A I E +ij 38 117B 0 23,-2.4 25,-1.4 -2,-0.3 26,-0.5 -0.990 9.7 174.6-133.6 140.4 19.5 28.6 -15.1 94 96 A M E -i 39 0B 2 -56,-1.5 -54,-2.6 -2,-0.4 2,-0.4 -0.981 16.6-145.8-141.6 150.4 16.3 26.7 -14.3 95 97 A V E -i 40 0B 2 -2,-0.3 2,-0.8 -56,-0.2 -54,-0.2 -0.943 13.6-132.6-121.8 140.8 15.5 23.0 -14.2 96 98 A Y E -i 41 0B 10 -56,-2.8 -54,-0.6 -2,-0.4 -48,-0.0 -0.825 41.6-122.6 -96.1 107.3 12.2 21.3 -15.1 97 99 A F S S+ 0 0 61 -2,-0.8 -54,-0.1 1,-0.1 2,-0.0 -0.614 84.9 57.0 -91.2 158.1 11.3 18.8 -12.4 98 100 A P + 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.308 62.1 150.6 -80.5 128.6 10.6 16.0 -11.9 99 101 A V S S- 0 0 0 3,-0.1 -55,-0.1 -56,-0.1 -25,-0.1 0.947 88.3 -3.1 -83.6 -64.9 14.0 15.0 -13.4 100 102 A F S S- 0 0 43 2,-0.1 3,-0.1 -26,-0.1 -3,-0.0 0.719 94.3-129.0 -97.1 -31.7 14.6 11.8 -11.4 101 103 A G S S+ 0 0 50 1,-0.3 2,-0.2 2,-0.0 -4,-0.0 0.936 75.2 46.2 81.1 49.9 11.5 12.0 -9.2 102 104 A N S >> S- 0 0 88 1,-0.0 4,-0.7 0, 0.0 3,-0.7 -0.887 114.7 -31.0-179.3-150.7 13.0 11.6 -5.7 103 105 A A H >> S+ 0 0 75 -2,-0.2 4,-1.4 1,-0.2 3,-1.1 0.869 120.4 71.6 -58.1 -39.0 15.9 12.8 -3.5 104 106 A Q H >> S+ 0 0 59 1,-0.3 4,-3.1 2,-0.2 3,-0.5 0.846 92.3 55.4 -45.1 -46.6 18.1 13.3 -6.6 105 107 A D H <> S+ 0 0 7 -3,-0.7 4,-2.3 1,-0.3 -1,-0.3 0.883 106.9 51.1 -56.9 -38.9 16.1 16.3 -7.8 106 108 A Q H << S+ 0 0 71 -3,-1.1 -1,-0.3 -4,-0.7 4,-0.2 0.776 110.8 49.2 -69.6 -26.5 16.7 17.9 -4.4 107 109 A Y H X< S+ 0 0 124 -4,-1.4 3,-1.6 -3,-0.5 -2,-0.2 0.933 110.3 49.9 -74.7 -48.7 20.4 17.2 -4.9 108 110 A L H >X S+ 0 0 0 -4,-3.1 3,-2.4 1,-0.3 4,-1.0 0.851 100.7 63.0 -58.7 -38.0 20.4 18.7 -8.3 109 111 A Q T 3< S+ 0 0 12 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.689 103.8 50.3 -64.0 -15.2 18.7 21.9 -7.1 110 112 A Q T <4 S+ 0 0 75 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.332 99.9 65.9-101.0 2.3 21.8 22.4 -4.9 111 113 A V T <4 S+ 0 0 23 -3,-2.4 -2,-0.2 -4,-0.1 -1,-0.1 0.725 77.1 98.9 -92.2 -28.8 24.1 21.9 -7.9 112 114 A V S < S- 0 0 4 -4,-1.0 2,-0.2 1,-0.1 5,-0.1 -0.365 92.4 -97.7 -62.5 134.6 22.9 25.1 -9.8 113 115 A C >> - 0 0 41 -32,-0.2 3,-1.6 1,-0.2 4,-1.3 -0.373 31.1-135.1 -57.8 118.1 25.3 28.1 -9.3 114 116 A K G >4 S+ 0 0 53 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.843 102.9 54.0 -42.2 -46.6 23.6 30.1 -6.6 115 117 A E G 34 S+ 0 0 86 1,-0.2 -1,-0.3 -23,-0.0 197,-0.1 0.779 115.7 39.3 -63.7 -29.1 24.1 33.4 -8.5 116 118 A K G <4 S+ 0 0 27 -3,-1.6 -23,-2.4 -24,-0.1 2,-1.1 0.508 82.3 115.9 -99.1 -8.4 22.4 32.0 -11.5 117 119 A D B << +j 93 0B 1 -4,-1.3 -23,-0.1 -3,-0.6 5,-0.0 -0.504 36.8 174.5 -67.2 99.4 19.6 30.1 -9.7 118 120 A V S S+ 0 0 0 -25,-1.4 -1,-0.2 -2,-1.1 30,-0.2 0.794 72.2 52.6 -78.8 -32.2 16.5 31.9 -10.9 119 121 A E S S- 0 0 23 -26,-0.5 29,-2.2 28,-0.1 30,-0.3 0.732 107.6-119.5 -78.1 -21.1 13.8 29.8 -9.4 120 122 A G + 0 0 0 27,-0.3 -2,-0.1 -6,-0.1 -6,-0.0 0.890 65.5 141.5 82.8 41.9 15.4 30.0 -5.9 121 123 A L + 0 0 16 -12,-0.1 -12,-0.1 25,-0.1 5,-0.1 0.730 36.8 106.6 -84.1 -28.3 16.0 26.2 -5.5 122 124 A N S >> S- 0 0 19 1,-0.1 4,-1.0 -8,-0.1 3,-0.6 -0.206 79.3-121.6 -55.5 143.3 19.3 26.7 -3.7 123 125 A H H 3> S+ 0 0 96 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.815 105.6 66.2 -56.4 -37.9 19.4 26.0 -0.0 124 126 A V H 3> S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 99.9 49.4 -53.8 -45.3 20.6 29.5 0.9 125 127 A Y H <> S+ 0 0 5 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.830 110.3 52.4 -65.3 -30.8 17.3 31.2 -0.3 126 128 A Y H X S+ 0 0 15 -4,-1.0 4,-2.2 -3,-0.3 -1,-0.2 0.916 109.1 48.0 -71.1 -43.8 15.3 28.6 1.7 127 129 A Q H X S+ 0 0 83 -4,-2.3 4,-2.5 1,-0.2 6,-0.2 0.963 110.8 51.6 -60.3 -51.7 17.3 29.4 4.9 128 130 A N H <>S+ 0 0 25 -4,-2.5 5,-2.2 1,-0.2 -1,-0.2 0.833 109.1 51.0 -55.1 -35.9 16.8 33.1 4.5 129 131 A L H ><5S+ 0 0 3 -4,-1.5 3,-0.9 3,-0.2 -1,-0.2 0.921 113.6 44.2 -68.4 -44.3 13.1 32.6 4.0 130 132 A Y H 3<5S+ 0 0 16 -4,-2.2 94,-0.5 1,-0.2 -2,-0.2 0.779 120.1 41.2 -70.0 -30.0 12.8 30.6 7.2 131 133 A H T 3<5S- 0 0 53 -4,-2.5 91,-0.2 -5,-0.2 -1,-0.2 0.095 109.3-120.3-104.8 19.0 15.0 33.0 9.1 132 134 A N T < 5 + 0 0 34 -3,-0.9 2,-0.5 1,-0.2 -3,-0.2 0.723 52.5 164.6 48.2 31.2 13.5 36.1 7.6 133 135 A V < - 0 0 60 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.666 19.7-172.1 -80.5 120.8 16.9 37.2 6.2 134 136 A R + 0 0 100 -2,-0.5 10,-2.2 -3,-0.1 2,-0.2 0.797 64.0 28.4 -82.3 -34.5 16.3 40.0 3.6 135 137 A Y B -K 143 0C 61 8,-0.3 8,-0.2 1,-0.1 3,-0.1 -0.529 59.1-143.3-119.1-174.2 19.8 40.3 2.2 136 138 A L S S+ 0 0 58 6,-2.0 7,-0.1 -2,-0.2 -1,-0.1 0.700 77.3 58.6-116.3 -51.1 23.0 38.2 1.7 137 139 A D S > S- 0 0 35 5,-0.5 3,-0.8 1,-0.1 -2,-0.1 -0.258 82.6-116.5 -80.5 170.1 25.9 40.5 2.3 138 140 A K T 3 S+ 0 0 192 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.908 113.1 56.8 -73.0 -41.8 26.8 42.5 5.5 139 141 A E T 3 S- 0 0 133 1,-0.1 -1,-0.2 -4,-0.0 -2,-0.0 0.266 110.2-121.3 -76.2 12.4 26.4 45.8 3.7 140 142 A N S < S+ 0 0 93 -3,-0.8 -2,-0.1 2,-0.1 -1,-0.1 0.746 78.1 118.2 52.7 34.6 22.8 45.0 2.7 141 143 A R + 0 0 112 1,-0.2 2,-0.9 2,-0.0 -1,-0.1 0.919 57.4 65.1 -90.7 -55.0 23.4 45.4 -1.0 142 144 A L S S- 0 0 26 172,-0.1 -6,-2.0 169,-0.1 -5,-0.5 -0.588 76.6-151.3 -77.1 103.2 22.7 41.9 -2.3 143 145 A K B -K 135 0C 68 -2,-0.9 2,-0.5 -8,-0.2 -8,-0.3 -0.545 14.6-125.9 -76.1 135.0 19.0 41.1 -1.7 144 146 A S - 0 0 6 -10,-2.2 2,-0.1 -2,-0.3 -1,-0.1 -0.719 23.8-142.0 -84.4 124.2 18.1 37.5 -1.2 145 147 A I - 0 0 7 -2,-0.5 -16,-0.1 159,-0.1 -17,-0.1 -0.406 10.1-129.2 -82.2 162.6 15.4 36.2 -3.6 146 148 A L - 0 0 38 -2,-0.1 -20,-0.1 -18,-0.1 -25,-0.1 -0.806 38.1 -82.3-111.6 151.9 12.7 33.8 -2.6 147 149 A P > - 0 0 2 0, 0.0 4,-2.1 0, 0.0 -27,-0.3 -0.339 42.4-128.5 -54.3 126.3 11.7 30.6 -4.5 148 150 A C H > S+ 0 0 2 -29,-2.2 4,-2.7 1,-0.2 5,-0.2 0.801 97.7 61.6 -48.3 -41.6 9.4 31.6 -7.3 149 151 A T H > S+ 0 0 35 -30,-0.3 4,-2.1 2,-0.2 3,-0.3 0.968 113.9 30.7 -55.8 -63.4 6.5 29.1 -6.5 150 152 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.911 119.3 56.7 -63.8 -36.0 5.6 30.3 -3.0 151 153 A L H X S+ 0 0 17 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.851 106.8 50.7 -59.8 -36.0 6.7 33.9 -3.9 152 154 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -3,-0.3 -1,-0.2 0.963 107.3 51.2 -66.6 -52.4 4.2 33.7 -6.8 153 155 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.894 110.2 51.0 -52.4 -42.7 1.3 32.5 -4.5 154 156 A V H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.970 110.1 48.4 -59.0 -51.7 2.1 35.4 -2.2 155 157 A K H X S+ 0 0 33 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.790 108.1 56.3 -59.2 -29.0 2.0 37.8 -5.2 156 158 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -1,-0.3 0.933 108.5 45.8 -68.2 -45.7 -1.3 36.2 -6.2 157 159 A L H <>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.2 6,-0.8 0.876 110.8 53.8 -64.3 -37.6 -2.8 37.0 -2.7 158 160 A E H ><5S+ 0 0 50 -4,-2.5 3,-0.8 2,-0.2 -1,-0.2 0.904 111.7 45.4 -62.7 -41.2 -1.4 40.5 -3.0 159 161 A F H 3<5S+ 0 0 60 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.974 108.7 54.6 -64.9 -52.1 -3.2 40.9 -6.4 160 162 A L T 3<5S- 0 0 16 -4,-3.1 -1,-0.2 1,-0.1 -2,-0.2 0.473 115.0-120.4 -61.5 -3.5 -6.4 39.4 -5.0 161 163 A K T < 5S+ 0 0 143 -3,-0.8 -3,-0.2 -4,-0.2 4,-0.1 0.571 79.3 124.1 72.8 14.0 -6.1 42.1 -2.3 162 164 A I < + 0 0 20 -5,-2.0 2,-1.1 -6,-0.2 -4,-0.2 0.925 56.9 78.0 -67.6 -44.3 -6.0 39.6 0.6 163 165 A Y S S- 0 0 5 -6,-0.8 2,-1.0 -9,-0.2 10,-0.2 -0.548 94.6-129.5 -67.7 99.0 -2.7 41.2 1.8 164 166 A N > - 0 0 74 8,-1.5 2,-2.5 -2,-1.1 3,-1.6 -0.371 17.7-155.6 -56.8 96.1 -4.1 44.3 3.5 165 167 A N T 3 S+ 0 0 136 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 -0.245 81.4 68.4 -73.7 50.6 -1.9 46.8 1.8 166 168 A L T 3 S+ 0 0 135 -2,-2.5 -1,-0.3 2,-0.1 -2,-0.1 0.245 82.0 83.5-145.7 -0.5 -2.3 49.3 4.6 167 169 A L S < S- 0 0 76 -3,-1.6 5,-0.2 1,-0.1 4,-0.1 -0.733 90.0 -86.9-106.9 155.6 -0.4 47.5 7.4 168 170 A P > - 0 0 93 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.211 60.6 -75.2 -60.7 154.6 3.4 47.6 7.9 169 171 A E T 3 S+ 0 0 136 1,-0.2 -4,-0.0 2,-0.1 0, 0.0 -0.167 117.7 24.5 -50.7 135.5 5.6 45.2 6.0 170 172 A G T 3 S+ 0 0 23 -3,-0.1 -1,-0.2 28,-0.0 29,-0.1 0.820 115.7 61.9 77.1 32.2 5.5 41.6 7.4 171 173 A N X + 0 0 44 -3,-0.6 3,-1.1 -4,-0.1 -2,-0.1 0.195 57.0 114.6-169.7 20.6 2.1 41.8 9.0 172 174 A R T 3 S+ 0 0 40 1,-0.2 -8,-1.5 -5,-0.2 27,-0.1 0.707 81.9 51.8 -72.7 -21.3 -0.3 42.4 6.2 173 175 A L T > S+ 0 0 0 25,-2.5 3,-1.0 -10,-0.2 -1,-0.2 0.307 74.9 132.0 -97.6 7.9 -1.9 39.0 6.8 174 176 A Y T < S+ 0 0 169 -3,-1.1 2,-1.6 24,-0.4 27,-0.2 0.761 72.9 31.3 -24.3 -83.2 -2.5 39.6 10.5 175 177 A G T 3 S+ 0 0 61 -3,-0.1 2,-0.4 25,-0.1 -1,-0.3 -0.330 98.7 112.6 -84.4 58.0 -6.1 38.5 11.1 176 178 A K < - 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