==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-JUN-05 2CVQ . COMPND 2 MOLECULE: MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.TOMITA,S.FUSHINOBU,T.KUZUYAMA,M.NISHIYAMA . 654 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 469 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 8.3 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 . 4 0.6 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 . 38 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.4 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 2 0 2 0 0 0 2 2 2 0 0 2 3 1 0 0 0 0 2 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 PARALLEL BRIDGES PER LADDER . 5 4 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 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 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 0 A M 0 0 174 0, 0.0 33,-0.1 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 135.7 -19.2 -12.7 4.7 2 1 A K - 0 0 93 31,-1.6 3,-0.1 1,-0.1 0, 0.0 -0.300 360.0 -90.2 -66.6 155.5 -21.9 -13.5 7.2 3 2 A A - 0 0 79 1,-0.1 -1,-0.1 31,-0.1 0, 0.0 -0.411 59.0 -89.5 -64.6 147.0 -22.6 -10.7 9.7 4 3 A P - 0 0 65 0, 0.0 2,-0.3 0, 0.0 32,-0.2 -0.239 38.9-148.5 -59.7 144.6 -20.3 -11.2 12.8 5 4 A V E -a 36 0A 20 30,-1.8 32,-2.3 -3,-0.1 2,-0.6 -0.883 15.6-122.4-112.6 148.6 -21.7 -13.4 15.7 6 5 A R E -a 37 0A 89 74,-0.4 76,-2.6 -2,-0.3 77,-1.9 -0.826 23.6-167.3 -97.7 121.1 -20.7 -12.8 19.3 7 6 A V E -ab 38 83A 0 30,-2.8 32,-2.5 -2,-0.6 2,-0.4 -0.926 3.7-161.8-109.9 114.6 -19.1 -15.7 21.1 8 7 A A E -ab 39 84A 0 75,-2.8 77,-2.9 -2,-0.6 2,-0.4 -0.789 9.0-177.5 -96.3 137.2 -18.8 -15.4 24.9 9 8 A V E -ab 40 85A 0 30,-1.9 32,-2.6 -2,-0.4 3,-0.4 -0.990 9.2-155.9-137.4 127.2 -16.4 -17.6 26.8 10 9 A T S S+ 0 0 2 75,-2.3 32,-0.2 -2,-0.4 77,-0.2 -0.479 78.6 31.6 -94.9 171.0 -15.9 -17.7 30.5 11 10 A G S > S+ 0 0 12 30,-0.4 3,-2.5 76,-0.2 6,-0.5 0.809 78.1 165.8 51.5 28.8 -12.7 -18.8 32.4 12 11 A A T 3 + 0 0 0 29,-1.9 9,-0.2 -3,-0.4 30,-0.1 0.663 63.9 51.9 -49.6 -27.1 -11.1 -17.4 29.3 13 12 A A T 3 S+ 0 0 24 28,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.422 93.3 96.4 -94.1 1.2 -7.6 -17.3 30.8 14 13 A G S <> S- 0 0 32 -3,-2.5 4,-2.2 -4,-0.1 5,-0.1 -0.106 92.3 -88.1 -82.2-175.3 -7.6 -20.9 32.0 15 14 A Q H > S+ 0 0 116 2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.919 124.7 45.5 -61.0 -48.8 -6.2 -24.0 30.3 16 15 A I H >> S+ 0 0 37 1,-0.2 4,-1.1 2,-0.2 3,-0.7 0.933 112.4 52.5 -62.9 -43.3 -9.2 -24.9 28.2 17 16 A G H >> S+ 0 0 0 -6,-0.5 4,-2.6 1,-0.2 3,-0.6 0.908 105.1 55.5 -57.8 -41.6 -9.6 -21.3 27.1 18 17 A Y H 3< S+ 0 0 27 -4,-2.2 4,-0.3 1,-0.3 -1,-0.2 0.782 114.4 39.4 -62.7 -28.4 -6.0 -21.3 26.0 19 18 A S H << S+ 0 0 18 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.519 121.8 46.1 -95.9 -8.7 -6.6 -24.3 23.8 20 19 A L H S+ 0 0 9 -5,-0.3 4,-1.2 -4,-0.3 -1,-0.2 0.909 110.0 47.5 -66.9 -40.7 -7.4 -19.5 18.9 23 22 A R H 4>S+ 0 0 15 -3,-0.3 5,-2.5 -4,-0.2 6,-0.4 0.860 112.3 50.6 -69.8 -32.0 -9.2 -22.2 17.0 24 23 A I H ><5S+ 0 0 2 -4,-1.7 3,-2.0 1,-0.2 5,-0.4 0.965 110.8 48.0 -66.9 -49.4 -12.5 -20.4 17.4 25 24 A A H 3<5S+ 0 0 0 -4,-2.6 39,-0.4 1,-0.3 -1,-0.2 0.722 106.3 59.9 -62.0 -22.0 -10.9 -17.1 16.1 26 25 A A T 3<5S- 0 0 11 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.522 121.5-107.2 -83.4 -7.3 -9.5 -19.1 13.2 27 26 A G T <>5S+ 0 0 3 -3,-2.0 4,-1.3 -4,-0.3 -3,-0.2 0.588 81.9 128.4 92.6 12.2 -13.0 -20.2 12.1 28 27 A E T 4< - 0 0 19 -4,-1.3 3,-1.5 1,-0.1 -1,-0.3 -0.055 38.1 -90.4 110.2 148.4 -16.9 -21.8 9.6 32 31 A K T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -4,-0.1 -4,-0.1 0.548 124.2 49.2 -70.0 -8.1 -14.1 -20.0 7.7 33 32 A D T 3 S+ 0 0 74 -6,-0.1 -31,-1.6 -3,-0.1 -1,-0.3 0.139 88.8 95.0-116.4 18.9 -16.5 -17.4 6.4 34 33 A Q < - 0 0 18 -3,-1.5 -4,-0.2 -33,-0.1 -31,-0.1 -0.866 66.3-147.2-115.0 99.6 -18.2 -16.6 9.7 35 34 A P - 0 0 16 0, 0.0 -30,-1.8 0, 0.0 2,-0.3 -0.299 18.4-156.1 -62.0 146.1 -16.6 -13.6 11.4 36 35 A V E -ac 5 65A 3 28,-2.7 30,-2.1 -32,-0.2 31,-1.1 -0.937 18.0-152.9-129.9 151.8 -16.6 -13.7 15.2 37 36 A I E -ac 6 67A 22 -32,-2.3 -30,-2.8 -2,-0.3 2,-0.5 -0.982 20.9-148.0-120.6 113.2 -16.5 -11.3 18.1 38 37 A L E -ac 7 68A 0 29,-2.4 31,-2.6 -2,-0.5 2,-0.6 -0.751 13.1-173.0 -88.4 123.8 -14.9 -12.8 21.2 39 38 A Q E -ac 8 69A 5 -32,-2.5 -30,-1.9 -2,-0.5 2,-0.4 -0.947 17.0-162.9-117.0 103.7 -16.3 -11.5 24.5 40 39 A L E -ac 9 70A 0 29,-3.3 31,-2.3 -2,-0.6 2,-0.4 -0.742 8.1-163.1 -97.8 137.4 -14.1 -13.0 27.2 41 40 A L E + c 0 71A 8 -32,-2.6 -29,-1.9 -2,-0.4 -30,-0.4 -0.944 15.0 161.1-121.5 138.9 -14.9 -13.3 30.9 42 41 A E - 0 0 22 29,-1.7 5,-0.1 -2,-0.4 -32,-0.0 -0.915 44.6 -92.1-143.8 167.3 -12.6 -13.9 33.8 43 42 A I > - 0 0 94 -2,-0.3 3,-2.5 1,-0.1 4,-0.3 -0.551 48.8-103.4 -79.4 152.5 -12.6 -13.5 37.6 44 43 A P G > S+ 0 0 84 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.841 120.4 56.8 -43.3 -44.5 -11.1 -10.1 38.7 45 44 A Q G 3 S+ 0 0 161 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.675 108.7 47.2 -66.4 -15.9 -7.9 -11.8 39.9 46 45 A A G <> S+ 0 0 20 -3,-2.5 4,-2.1 1,-0.1 -1,-0.3 0.262 79.3 100.9-109.6 12.8 -7.3 -13.2 36.4 47 46 A M H <> S+ 0 0 47 -3,-1.5 4,-1.5 -4,-0.3 -1,-0.1 0.810 80.5 53.4 -67.3 -30.4 -8.0 -10.1 34.4 48 47 A K H > S+ 0 0 141 -4,-0.3 4,-1.2 -3,-0.2 -1,-0.2 0.910 110.3 47.0 -70.6 -41.5 -4.3 -9.4 33.8 49 48 A A H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.903 109.4 54.9 -65.1 -40.1 -3.7 -12.9 32.5 50 49 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.3 -1,-0.2 0.845 102.7 55.9 -62.7 -33.8 -6.7 -12.5 30.3 51 50 A E H X S+ 0 0 117 -4,-1.5 4,-2.0 1,-0.2 -1,-0.3 0.847 105.7 53.2 -65.7 -32.1 -5.2 -9.3 28.8 52 51 A G H X S+ 0 0 0 -4,-1.2 4,-1.9 -3,-0.4 -2,-0.2 0.888 108.6 47.8 -68.2 -39.3 -2.2 -11.5 28.0 53 52 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.897 109.1 54.9 -67.1 -39.6 -4.4 -13.9 26.1 54 53 A V H X S+ 0 0 20 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.904 107.3 50.2 -59.5 -41.9 -6.1 -11.0 24.4 55 54 A M H X S+ 0 0 19 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.883 108.7 51.1 -65.2 -39.6 -2.6 -9.9 23.2 56 55 A E H < S+ 0 0 0 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.866 109.5 51.4 -65.2 -35.5 -1.8 -13.4 21.9 57 56 A L H ><>S+ 0 0 1 -4,-2.1 3,-1.4 1,-0.2 5,-0.6 0.912 110.1 48.2 -67.2 -42.4 -5.1 -13.4 19.9 58 57 A E H ><5S+ 0 0 44 -4,-2.1 3,-2.0 1,-0.3 -2,-0.2 0.905 105.4 60.8 -62.2 -40.7 -4.3 -10.0 18.4 59 58 A D T 3<5S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.422 93.2 64.6 -69.4 1.3 -0.8 -11.4 17.5 60 59 A C T < 5S- 0 0 0 -3,-1.4 -1,-0.3 429,-0.1 -2,-0.2 0.517 95.0-142.1 -97.9 -10.7 -2.4 -14.1 15.4 61 60 A A T < 5 - 0 0 9 -3,-2.0 -3,-0.1 -4,-0.3 -2,-0.1 0.914 24.6-167.8 48.4 51.6 -3.8 -11.5 13.0 62 61 A F > < - 0 0 12 -5,-0.6 3,-0.8 1,-0.1 442,-0.2 -0.583 18.3-153.2 -73.7 120.6 -7.0 -13.5 12.5 63 62 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 441,-0.1 0.755 94.2 52.0 -65.8 -22.9 -9.0 -12.2 9.5 64 63 A L T 3 S+ 0 0 15 -39,-0.4 -28,-2.7 -29,-0.1 2,-1.5 0.614 79.6 100.5 -88.9 -14.3 -12.3 -13.5 11.1 65 64 A L E < +c 36 0A 32 -3,-0.8 -28,-0.2 -30,-0.2 3,-0.1 -0.592 42.2 168.2 -76.9 93.7 -11.8 -11.9 14.5 66 65 A A E + 0 0 61 -30,-2.1 2,-0.3 -2,-1.5 -29,-0.2 0.613 64.8 9.0 -81.3 -16.1 -14.1 -8.9 14.1 67 66 A G E -c 37 0A 21 -31,-1.1 -29,-2.4 -3,-0.1 2,-0.3 -0.979 56.5-169.9-162.7 153.4 -14.1 -7.9 17.7 68 67 A L E +c 38 0A 48 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.913 13.7 165.9-153.2 118.9 -12.3 -8.8 21.0 69 68 A E E -c 39 0A 95 -31,-2.6 -29,-3.3 -2,-0.3 2,-0.4 -0.999 16.9-159.0-140.5 136.3 -13.2 -7.7 24.5 70 69 A A E +c 40 0A 36 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.907 24.3 154.5-113.0 141.3 -12.2 -8.9 28.0 71 70 A T E -c 41 0A 17 -31,-2.3 -29,-1.7 -2,-0.4 -2,-0.0 -0.972 45.6-142.3-157.3 167.5 -14.2 -8.2 31.1 72 71 A D S S+ 0 0 83 -2,-0.3 -31,-0.1 -31,-0.2 -1,-0.0 0.242 80.5 92.1-116.5 7.7 -15.0 -9.5 34.6 73 72 A D >> - 0 0 61 1,-0.1 4,-2.5 -30,-0.1 3,-1.4 -0.912 63.2-155.0-109.3 114.9 -18.7 -8.6 34.3 74 73 A P H 3> S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.804 95.9 58.9 -56.0 -32.2 -21.1 -11.3 33.0 75 74 A K H 34 S+ 0 0 95 2,-0.2 4,-0.2 1,-0.2 37,-0.0 0.757 111.2 42.1 -69.9 -24.3 -23.6 -8.7 31.8 76 75 A V H <4 S+ 0 0 36 -3,-1.4 3,-0.5 2,-0.1 -1,-0.2 0.879 114.9 48.8 -85.9 -44.3 -20.8 -7.3 29.6 77 76 A A H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -38,-0.1 0.867 117.7 40.0 -64.5 -37.4 -19.5 -10.6 28.4 78 77 A F S >< S+ 0 0 0 -4,-2.4 3,-2.6 -5,-0.2 -1,-0.2 0.515 80.9 134.1 -91.4 -5.1 -22.9 -12.0 27.5 79 78 A K T 3 S- 0 0 111 -3,-0.5 41,-0.3 1,-0.3 37,-0.1 -0.247 90.6 -16.5 -51.7 117.1 -24.3 -8.8 25.9 80 79 A D T 3 S+ 0 0 60 39,-3.1 -74,-0.4 1,-0.2 -1,-0.3 0.724 95.0 172.5 57.4 25.1 -26.0 -9.7 22.6 81 80 A A < - 0 0 0 -3,-2.6 40,-1.8 1,-0.2 -1,-0.2 -0.408 28.7-170.5 -68.8 137.0 -24.1 -13.1 22.7 82 81 A D S S+ 0 0 34 -76,-2.6 43,-2.6 1,-0.3 2,-0.3 0.711 80.3 22.0 -93.6 -29.8 -25.1 -15.6 20.0 83 82 A Y E -bd 7 125A 38 -77,-1.9 -75,-2.8 41,-0.2 2,-0.4 -0.985 65.5-167.7-138.2 146.9 -23.1 -18.4 21.7 84 83 A A E -bd 8 126A 0 41,-2.5 43,-2.6 -2,-0.3 2,-0.7 -0.952 4.2-166.2-141.0 116.8 -21.9 -18.8 25.3 85 84 A L E -bd 9 127A 0 -77,-2.9 -75,-2.3 -2,-0.4 2,-1.2 -0.906 10.4-158.1-104.7 107.9 -19.3 -21.3 26.4 86 85 A L E + d 0 128A 0 41,-2.7 43,-2.7 -2,-0.7 44,-2.2 -0.727 34.2 146.4 -90.2 93.5 -19.4 -21.5 30.2 87 86 A V + 0 0 19 -2,-1.2 2,-0.3 42,-0.2 44,-0.2 0.826 43.3 85.7 -95.5 -42.0 -16.0 -23.0 31.0 88 87 A G + 0 0 21 -3,-0.3 2,-0.2 -47,-0.1 42,-0.1 -0.478 52.5 157.6 -70.0 126.7 -15.1 -21.3 34.3 89 88 A A - 0 0 29 -2,-0.3 -2,-0.1 40,-0.1 16,-0.0 -0.579 51.3 -51.0-129.5-167.3 -16.5 -23.1 37.4 90 89 A A - 0 0 13 41,-0.4 2,-0.4 -2,-0.2 15,-0.1 -0.586 53.7-127.8 -76.9 126.9 -15.7 -23.2 41.1 91 90 A P - 0 0 104 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.615 20.7-130.1 -75.2 124.2 -12.0 -23.9 41.8 92 91 A R + 0 0 195 -2,-0.4 2,-0.2 4,-0.0 3,-0.1 -0.652 35.4 176.5 -80.8 103.6 -11.7 -26.7 44.3 93 92 A K - 0 0 150 -2,-1.0 3,-0.0 1,-0.2 -3,-0.0 -0.669 41.6 -76.2-102.6 160.0 -9.3 -25.6 47.0 94 93 A A S S+ 0 0 101 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.126 113.7 40.6 -51.2 149.9 -8.4 -27.5 50.1 95 94 A G S S+ 0 0 74 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.931 86.7 116.6 74.6 47.8 -11.1 -27.5 52.8 96 95 A M - 0 0 24 -4,-0.1 -1,-0.2 4,-0.0 2,-0.1 -0.921 42.3-164.3-151.3 121.0 -14.1 -27.9 50.6 97 96 A E > - 0 0 152 -2,-0.3 4,-2.4 -3,-0.1 3,-0.3 -0.364 46.7 -87.9 -93.6 178.1 -16.6 -30.8 50.5 98 97 A R H > S+ 0 0 86 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.931 129.7 52.3 -50.6 -51.0 -19.2 -31.5 47.8 99 98 A R H > S+ 0 0 142 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.855 108.7 50.2 -54.4 -40.3 -21.7 -29.2 49.5 100 99 A D H > S+ 0 0 75 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.915 112.5 46.8 -66.1 -43.4 -19.1 -26.4 49.6 101 100 A L H X S+ 0 0 22 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.925 110.3 52.1 -64.2 -46.5 -18.4 -26.8 45.9 102 101 A L H X S+ 0 0 8 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.844 105.8 57.1 -59.7 -34.5 -22.0 -27.0 44.9 103 102 A Q H X S+ 0 0 90 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.936 111.1 40.3 -62.9 -49.2 -22.6 -23.7 46.8 104 103 A V H X S+ 0 0 44 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.917 117.3 47.7 -69.0 -42.7 -20.0 -21.8 44.9 105 104 A N H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.905 108.8 57.5 -63.3 -38.5 -20.9 -23.3 41.5 106 105 A G H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.3 5,-0.2 0.922 109.2 43.5 -56.8 -45.9 -24.6 -22.6 42.4 107 106 A K H X S+ 0 0 131 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.869 113.4 52.8 -68.9 -36.5 -23.8 -18.9 42.8 108 107 A I H X S+ 0 0 35 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.962 115.6 37.4 -63.8 -52.3 -21.7 -18.9 39.6 109 108 A F H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.692 113.2 55.7 -77.7 -17.2 -24.3 -20.4 37.3 110 109 A T H X S+ 0 0 10 -4,-1.6 4,-2.4 -5,-0.3 5,-0.2 0.935 112.6 44.5 -75.6 -45.1 -27.3 -18.7 38.9 111 110 A E H X S+ 0 0 88 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.909 117.5 43.2 -62.5 -44.7 -25.5 -15.3 38.2 112 111 A Q H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.844 112.2 53.9 -72.2 -31.7 -24.5 -16.3 34.7 113 112 A G H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.931 112.4 44.3 -65.6 -43.3 -27.9 -17.8 33.9 114 113 A R H X S+ 0 0 139 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.893 112.0 52.4 -66.6 -41.5 -29.5 -14.6 35.0 115 114 A A H X S+ 0 0 10 -4,-2.3 4,-2.7 2,-0.2 5,-0.5 0.896 110.0 49.2 -62.3 -40.4 -27.0 -12.5 33.0 116 115 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.935 111.1 48.6 -64.4 -46.8 -27.6 -14.5 29.9 117 116 A A H < S+ 0 0 22 -4,-2.1 -1,-0.2 26,-0.2 -2,-0.2 0.840 116.6 45.6 -62.1 -32.7 -31.4 -14.1 30.3 118 117 A E H < S+ 0 0 141 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.911 130.9 9.4 -80.0 -44.4 -31.0 -10.4 30.8 119 118 A V H < S+ 0 0 26 -4,-2.7 -39,-3.1 -5,-0.1 -3,-0.2 0.609 100.4 92.0-116.8 -13.3 -28.5 -9.4 28.1 120 119 A A S < S- 0 0 8 -4,-1.9 -38,-0.1 -5,-0.5 -41,-0.1 -0.260 86.4 -81.4 -81.3 170.0 -27.9 -12.2 25.5 121 120 A K > - 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