==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-SEP-12 4H7P . COMPND 2 MOLECULE: MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 619 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 8.2 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 . 33 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 1 0 0 0 0 0 3 1 4 0 2 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 PARALLEL BRIDGES PER LADDER . 5 3 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 2 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 1 A M 0 0 144 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 30.8 15.8 11.2 77.7 2 2 A S - 0 0 107 1,-0.1 2,-0.1 31,-0.0 3,-0.0 -0.513 360.0 -91.1 -74.7 150.2 15.7 15.0 77.4 3 3 A A - 0 0 12 -2,-0.2 2,-0.4 32,-0.1 32,-0.3 -0.426 38.9-119.1 -65.2 136.0 12.2 16.5 77.4 4 4 A V E -a 35 0A 42 30,-2.3 32,-2.7 -2,-0.1 2,-0.5 -0.622 27.4-129.0 -73.3 127.3 10.7 16.9 73.9 5 5 A K E -a 36 0A 63 -2,-0.4 76,-2.5 74,-0.4 77,-1.2 -0.746 28.4-176.0 -88.2 124.1 10.0 20.6 73.3 6 6 A V E -ab 37 82A 0 30,-2.9 32,-2.7 -2,-0.5 2,-0.4 -0.983 10.1-154.6-123.8 121.6 6.4 21.2 72.1 7 7 A A E -ab 38 83A 0 75,-2.8 77,-2.7 -2,-0.5 2,-0.4 -0.805 7.0-170.8 -96.1 139.6 5.1 24.6 71.1 8 8 A V E -ab 39 84A 0 30,-2.4 32,-2.7 -2,-0.4 3,-0.4 -0.995 7.4-160.8-125.6 117.8 1.5 25.6 71.2 9 9 A T E S+ab 40 85A 0 75,-2.4 77,-0.8 -2,-0.4 32,-0.2 -0.624 77.6 36.2 -90.9 167.2 0.4 28.9 69.6 10 10 A G S > S+ 0 0 10 30,-0.7 3,-2.1 76,-0.3 6,-0.6 0.822 76.8 158.1 59.3 29.5 -2.9 30.5 70.6 11 11 A A T 3 + 0 0 0 29,-2.5 30,-0.2 -3,-0.4 9,-0.1 0.639 61.9 56.3 -72.0 -9.9 -2.1 29.2 74.0 12 12 A A T 3 S+ 0 0 30 28,-0.2 -1,-0.3 4,-0.1 29,-0.1 0.368 95.2 91.8 -93.4 1.3 -4.3 31.7 75.9 13 13 A G S <> S- 0 0 27 -3,-2.1 4,-2.0 -4,-0.1 5,-0.1 -0.265 92.5 -99.3 -91.0 179.8 -7.3 30.6 73.9 14 14 A Q H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.882 120.6 49.6 -73.8 -38.6 -9.9 28.0 74.6 15 15 A I H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.949 112.0 50.7 -61.4 -46.8 -8.5 25.3 72.4 16 16 A G H > S+ 0 0 0 -6,-0.6 4,-2.6 1,-0.2 -2,-0.2 0.894 107.4 53.5 -56.4 -41.1 -5.1 25.9 74.1 17 17 A Y H < S+ 0 0 21 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.861 114.1 41.6 -62.4 -38.1 -6.7 25.6 77.5 18 18 A A H < S+ 0 0 24 -4,-1.7 4,-0.5 -3,-0.2 -1,-0.2 0.737 118.1 48.6 -78.4 -25.7 -8.2 22.2 76.6 19 19 A L H >X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 3,-0.5 0.876 96.3 64.1 -85.8 -46.7 -5.0 21.1 74.9 20 20 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.885 100.9 50.9 -56.7 -38.7 -2.1 21.8 77.3 21 21 A P H 3> S+ 0 0 13 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.882 108.7 53.5 -69.0 -27.4 -3.2 19.4 80.0 22 22 A L H <>>S+ 0 0 8 -3,-0.5 5,-2.3 -4,-0.5 4,-0.6 0.939 111.1 45.3 -68.2 -41.0 -3.5 16.6 77.5 23 23 A I H ><5S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 5,-0.4 0.955 113.8 49.8 -64.2 -44.4 0.0 17.2 76.3 24 24 A A H 3<5S+ 0 0 0 -4,-2.6 39,-0.5 1,-0.3 -1,-0.2 0.830 106.2 54.9 -68.3 -27.3 1.3 17.5 79.9 25 25 A R H 3<5S- 0 0 104 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.602 123.9-100.1 -83.2 -9.0 -0.4 14.3 81.0 26 26 A G T < - 0 0 8 -4,-1.7 3,-1.6 1,-0.1 -1,-0.3 -0.067 38.5 -79.5 110.4 157.9 3.2 9.0 75.4 31 31 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.542 125.8 45.9 -71.8 -7.1 3.0 8.3 79.1 32 32 A T T 3 S+ 0 0 122 -3,-0.2 -2,-0.1 -6,-0.1 -6,-0.1 0.310 91.1 98.2-107.5 -3.5 6.8 7.8 79.5 33 33 A T < - 0 0 35 -3,-1.6 -4,-0.2 -7,-0.1 -3,-0.1 -0.821 65.6-140.1-102.4 113.9 7.9 10.8 77.6 34 34 A P - 0 0 35 0, 0.0 -30,-2.3 0, 0.0 2,-0.3 -0.348 25.2-163.3 -67.7 147.3 8.9 14.0 79.4 35 35 A V E -ac 4 64A 2 28,-2.6 30,-2.4 -32,-0.3 31,-0.7 -0.965 19.4-152.5-131.2 151.9 7.8 17.2 77.7 36 36 A E E -ac 5 66A 15 -32,-2.7 -30,-2.9 -2,-0.3 2,-0.5 -0.989 19.9-146.5-119.9 127.2 8.5 20.9 77.8 37 37 A L E -ac 6 67A 0 29,-2.4 31,-2.3 -2,-0.4 2,-0.6 -0.875 10.5-168.5 -98.0 129.8 5.7 23.2 76.8 38 38 A R E -ac 7 68A 18 -32,-2.7 -30,-2.4 -2,-0.5 2,-0.5 -0.970 14.4-160.5-116.3 110.4 6.5 26.5 75.0 39 39 A L E -ac 8 69A 0 29,-3.2 31,-2.3 -2,-0.6 2,-0.4 -0.856 8.5-173.4-105.3 121.9 3.3 28.6 75.0 40 40 A L E +ac 9 70A 7 -32,-2.7 -29,-2.5 -2,-0.5 -30,-0.7 -0.932 17.9 137.7-115.3 133.9 2.9 31.5 72.5 41 41 A D - 0 0 35 29,-1.6 5,-0.0 -2,-0.4 2,-0.0 -0.893 56.2 -61.3-152.2-171.0 0.2 34.1 72.2 42 42 A I > - 0 0 108 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.302 52.5-104.2 -77.1 161.7 -0.0 37.8 71.5 43 43 A E G > S+ 0 0 130 1,-0.3 3,-1.7 28,-0.2 4,-0.2 0.864 118.6 57.6 -58.0 -37.9 1.7 40.3 73.8 44 44 A P G 3 S+ 0 0 102 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.692 101.0 61.0 -66.1 -12.6 -1.6 41.5 75.5 45 45 A A G <> S+ 0 0 15 -3,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.318 71.0 104.5 -94.1 7.9 -2.2 37.9 76.5 46 46 A L H <> S+ 0 0 65 -3,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.881 81.1 47.8 -61.1 -38.6 1.0 37.6 78.6 47 47 A K H > S+ 0 0 119 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.941 111.6 50.9 -69.0 -42.6 -0.8 37.8 82.0 48 48 A A H > S+ 0 0 36 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.912 109.1 52.6 -59.1 -42.7 -3.4 35.2 80.8 49 49 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.901 104.1 54.7 -61.6 -40.7 -0.5 33.0 79.8 50 50 A A H X S+ 0 0 30 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.866 107.1 52.9 -58.5 -36.3 1.1 33.3 83.2 51 51 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 485,-0.3 -2,-0.2 0.911 108.2 48.5 -64.0 -41.6 -2.3 32.1 84.5 52 52 A V H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.924 111.7 50.5 -61.5 -44.2 -2.2 29.0 82.2 53 53 A E H X S+ 0 0 48 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.914 108.8 51.4 -61.0 -44.6 1.3 28.3 83.4 54 54 A A H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.917 110.5 48.5 -60.6 -43.3 0.3 28.6 87.0 55 55 A E H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.895 108.9 53.2 -63.1 -41.5 -2.5 26.1 86.5 56 56 A L H ><>S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 5,-0.6 0.933 109.0 49.8 -58.2 -45.5 -0.2 23.7 84.7 57 57 A E H ><5S+ 0 0 56 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.908 105.6 57.8 -56.0 -43.7 2.1 23.9 87.7 58 58 A D H 3<5S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.552 93.7 66.8 -70.5 -7.7 -0.8 23.2 90.0 59 59 A C T <<5S- 0 0 0 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.598 93.5-143.5 -79.9 -17.5 -1.5 20.0 88.2 60 60 A A T < 5 - 0 0 14 -3,-1.9 -3,-0.1 -4,-0.4 -2,-0.1 0.925 25.1-171.7 51.6 48.9 1.7 18.5 89.5 61 61 A F > < - 0 0 11 -5,-0.6 3,-1.1 1,-0.2 430,-0.2 -0.593 18.5-150.8 -74.0 119.1 2.2 16.6 86.2 62 62 A P T 3 S+ 0 0 79 0, 0.0 429,-0.3 0, 0.0 -1,-0.2 0.788 93.3 49.0 -64.4 -25.4 5.2 14.2 86.5 63 63 A L T 3 S+ 0 0 25 -39,-0.5 -28,-2.6 -29,-0.1 2,-1.1 0.579 85.4 96.1 -87.5 -13.4 6.0 14.4 82.7 64 64 A L E < +c 35 0A 25 -3,-1.1 426,-0.2 -30,-0.2 -28,-0.2 -0.667 45.2 172.5 -87.8 99.9 6.0 18.2 82.5 65 65 A D E - 0 0 91 -30,-2.4 2,-0.3 -2,-1.1 -29,-0.2 0.849 61.7 -6.9 -77.0 -33.7 9.6 19.3 82.8 66 66 A K E -c 36 0A 111 -31,-0.7 -29,-2.4 2,-0.0 2,-0.4 -0.984 51.4-153.2-162.6 148.1 9.3 23.0 82.0 67 67 A V E -c 37 0A 22 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.998 12.0-174.8-128.0 132.3 6.8 25.6 80.8 68 68 A V E -c 38 0A 29 -31,-2.3 -29,-3.2 -2,-0.4 2,-0.4 -0.992 6.4-162.4-123.0 131.8 7.9 28.8 79.0 69 69 A V E +c 39 0A 37 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.956 22.7 150.5-115.5 144.2 5.4 31.5 78.1 70 70 A T E -c 40 0A 16 -31,-2.3 -29,-1.6 -2,-0.4 -2,-0.0 -0.986 49.1-145.1-163.4 159.1 6.1 34.2 75.5 71 71 A A S S+ 0 0 34 -2,-0.3 -28,-0.2 -31,-0.2 -31,-0.1 0.269 82.3 89.6-107.0 3.1 4.8 36.5 72.8 72 72 A D >> - 0 0 47 1,-0.1 4,-2.5 -30,-0.1 3,-1.3 -0.883 63.1-157.0-108.1 115.9 8.0 36.1 70.7 73 73 A P H 3> S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.815 94.3 63.3 -61.6 -27.0 7.8 33.2 68.1 74 74 A R H 34 S+ 0 0 158 2,-0.2 4,-0.1 1,-0.2 -2,-0.0 0.810 110.4 39.3 -67.8 -27.6 11.6 33.1 68.1 75 75 A V H X4 S+ 0 0 54 -3,-1.3 3,-1.2 2,-0.1 -1,-0.2 0.894 115.0 51.9 -80.7 -46.5 11.5 32.1 71.8 76 76 A A H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.1 0.891 115.2 40.2 -59.9 -43.8 8.5 29.8 71.5 77 77 A F T >< S+ 0 0 0 -4,-2.5 3,-2.0 -5,-0.2 2,-0.4 0.424 78.8 134.2 -86.4 -2.6 9.9 27.8 68.7 78 78 A D T < S- 0 0 86 -3,-1.2 41,-0.2 1,-0.3 37,-0.1 -0.379 89.8 -17.7 -59.8 110.6 13.5 27.5 69.9 79 79 A G T 3 S+ 0 0 30 39,-2.7 -74,-0.4 -2,-0.4 -1,-0.3 0.544 95.7 158.9 76.4 9.6 14.5 23.9 69.5 80 80 A V < - 0 0 0 -3,-2.0 40,-1.9 1,-0.1 -1,-0.2 -0.384 32.0-170.5 -74.8 146.8 11.0 22.6 69.2 81 81 A A S S+ 0 0 27 -76,-2.5 43,-2.4 1,-0.3 2,-0.4 0.593 77.6 35.6 -97.5 -25.3 10.2 19.2 67.6 82 82 A I E -bd 6 124A 7 -77,-1.2 -75,-2.8 41,-0.2 2,-0.4 -0.996 62.7-172.7-134.4 131.9 6.3 19.6 67.5 83 83 A A E -bd 7 125A 0 41,-2.3 43,-2.5 -2,-0.4 2,-0.6 -0.990 5.0-167.2-129.7 120.3 4.4 22.9 66.8 84 84 A I E -bd 8 126A 0 -77,-2.7 -75,-2.4 -2,-0.4 2,-1.2 -0.943 13.9-153.9-108.1 109.8 0.6 23.0 67.2 85 85 A M E +bd 9 127A 0 41,-2.9 43,-2.4 -2,-0.6 44,-2.4 -0.694 37.3 146.0 -97.9 87.8 -0.6 26.2 65.6 86 86 A C + 0 0 17 -2,-1.2 -76,-0.3 -77,-0.8 -1,-0.2 0.707 44.2 99.7 -89.6 -24.8 -3.9 27.2 67.3 87 87 A G + 0 0 14 -3,-0.2 2,-0.3 42,-0.1 42,-0.2 -0.399 46.0 138.1 -71.2 136.0 -3.3 31.0 67.1 88 88 A A - 0 0 34 -2,-0.1 42,-0.1 40,-0.1 16,-0.1 -0.960 60.7 -85.8-165.3 163.2 -5.0 32.8 64.3 89 89 A F - 0 0 93 -2,-0.3 15,-0.1 11,-0.2 2,-0.1 -0.599 53.5-127.5 -73.3 123.1 -7.0 35.9 63.5 90 90 A P - 0 0 100 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.427 22.5-103.0 -78.9 145.3 -10.6 35.1 64.4 91 91 A R - 0 0 148 -2,-0.1 2,-0.3 4,-0.0 6,-0.0 -0.576 41.2-162.8 -65.0 121.3 -13.4 35.7 61.9 92 92 A K > - 0 0 49 -2,-0.4 3,-2.0 1,-0.1 8,-0.0 -0.778 34.5 -79.8-100.3 155.5 -15.3 38.9 62.8 93 93 A A T 3 S+ 0 0 100 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.224 118.1 30.1 -49.3 135.9 -18.8 39.9 61.5 94 94 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 -3,-0.0 -1,-0.2 0.299 89.0 124.8 94.5 -8.9 -18.6 41.3 58.1 95 95 A M < - 0 0 31 -3,-2.0 -1,-0.3 4,-0.0 2,-0.2 -0.672 46.8-151.6 -84.9 133.0 -15.5 39.3 56.9 96 96 A E > - 0 0 136 -2,-0.3 4,-1.6 -3,-0.1 3,-0.3 -0.492 40.4 -97.7 -82.5 170.4 -15.6 37.2 53.7 97 97 A R H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 126.3 57.4 -54.6 -40.1 -13.3 34.2 53.6 98 98 A K H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.866 103.5 52.2 -61.1 -37.3 -10.8 36.3 51.7 99 99 A D H > S+ 0 0 53 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.894 109.4 49.3 -65.4 -42.0 -10.6 38.9 54.5 100 100 A L H X S+ 0 0 18 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.930 110.7 50.7 -63.8 -40.6 -9.9 36.2 57.0 101 101 A L H X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.916 110.0 49.9 -63.3 -43.3 -7.1 34.7 54.8 102 102 A E H X S+ 0 0 122 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.891 109.2 50.3 -67.3 -39.6 -5.5 38.1 54.4 103 103 A M H X S+ 0 0 28 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.875 115.0 46.3 -60.2 -35.1 -5.5 38.9 58.2 104 104 A N H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.728 92.8 76.4 -84.3 -22.6 -3.9 35.4 58.7 105 105 A A H X S+ 0 0 9 -4,-1.7 4,-2.1 1,-0.2 5,-0.2 0.924 95.2 49.8 -58.3 -44.2 -1.2 35.6 56.1 106 106 A R H X S+ 0 0 67 -4,-0.7 4,-2.1 -3,-0.2 5,-0.2 0.917 110.0 51.0 -60.4 -41.4 0.9 38.0 58.2 107 107 A I H X S+ 0 0 52 -4,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.929 113.3 43.2 -58.7 -51.6 0.7 35.7 61.2 108 108 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.807 110.3 55.6 -77.5 -22.1 1.7 32.6 59.4 109 109 A K H X S+ 0 0 93 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.945 111.0 45.0 -69.9 -44.5 4.5 34.2 57.5 110 110 A E H X S+ 0 0 46 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.917 115.7 47.0 -64.5 -41.7 6.1 35.4 60.7 111 111 A Q H X S+ 0 0 19 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.920 111.2 50.5 -70.0 -39.1 5.6 32.0 62.4 112 112 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.897 110.5 50.0 -66.0 -38.7 7.0 30.1 59.5 113 113 A E H X S+ 0 0 106 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.911 112.4 48.0 -61.7 -43.4 10.1 32.3 59.3 114 114 A A H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 5,-0.5 0.927 110.1 50.8 -65.4 -43.3 10.6 31.8 63.1 115 115 A I H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.943 112.5 46.8 -58.7 -48.5 10.2 28.0 62.9 116 116 A A H < S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.894 114.6 49.1 -61.8 -37.1 12.7 27.8 60.1 117 117 A A H < S+ 0 0 78 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.849 132.1 5.4 -67.9 -41.9 15.1 30.1 62.0 118 118 A V H < S+ 0 0 43 -4,-2.3 -39,-2.7 -5,-0.1 -3,-0.2 0.580 96.7 100.0-128.3 -17.1 15.0 28.4 65.4 119 119 A A S < S- 0 0 18 -4,-2.2 -38,-0.1 -5,-0.5 -41,-0.1 -0.316 82.4 -82.6 -73.1 165.3 13.1 25.1 65.5 120 120 A A > - 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