==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JAN-05 1YHC . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR M.HERNICK,H.A.GENNADIOS,D.A.WHITTINGTON,K.M.RUSCHE,D.W.CHRIS . 532 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 8 1.5 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 . 41 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 0 0 2 0 2 2 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 4 4 4 2 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 . 4 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 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 2 A G 0 0 42 0, 0.0 119,-3.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 157.3 -1.4 87.0 -4.8 2 3 A L E -A 119 0A 77 117,-0.2 117,-0.2 1,-0.1 115,-0.1 -0.633 360.0-100.4 -89.7 146.0 0.2 83.6 -5.5 3 4 A E E - 0 0 19 115,-3.1 113,-2.9 -2,-0.3 2,-0.3 -0.236 46.2-159.7 -58.4 153.4 -1.9 80.5 -6.2 4 5 A K E +A 115 0A 24 78,-0.4 81,-2.1 111,-0.2 80,-1.7 -0.965 22.0 171.1-140.8 156.8 -2.2 78.2 -3.2 5 6 A T E -A 114 0A 3 109,-1.8 109,-2.5 -2,-0.3 2,-0.3 -0.737 45.1 -78.4-143.2-172.8 -3.0 74.6 -2.3 6 7 A V E -A 113 0A 1 79,-0.4 107,-0.2 -2,-0.2 24,-0.1 -0.756 27.2-131.9 -99.4 148.4 -2.8 72.7 0.9 7 8 A K S S- 0 0 135 105,-2.4 2,-0.3 -2,-0.3 -1,-0.1 0.728 86.1 -5.8 -68.1 -23.2 0.5 71.3 2.2 8 9 A E S S- 0 0 122 104,-0.3 -1,-0.1 19,-0.1 19,-0.1 -0.979 95.0 -59.2-162.9 168.6 -1.1 67.9 2.8 9 10 A K - 0 0 140 -2,-0.3 2,-0.4 -3,-0.1 19,-0.2 -0.295 47.7-164.4 -57.7 133.3 -4.4 65.9 2.8 10 11 A L E -B 27 0B 18 17,-1.5 17,-3.7 2,-0.0 2,-0.4 -0.970 3.4-162.3-122.0 137.0 -7.0 67.3 5.1 11 12 A S E +B 26 0B 72 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.945 12.2 174.4-126.7 145.5 -10.1 65.4 6.1 12 13 A F E +B 25 0B 9 13,-1.6 13,-4.0 -2,-0.4 2,-0.3 -0.978 6.4 179.2-141.3 150.9 -13.5 66.3 7.6 13 14 A E E +B 24 0B 94 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.992 19.0 105.8-152.6 157.2 -16.6 64.3 8.3 14 15 A G E -B 23 0B 12 9,-2.3 9,-2.3 -2,-0.3 7,-0.0 -0.901 63.2 -41.3 155.8 177.4 -20.1 64.6 9.7 15 16 A V E -B 22 0B 49 -2,-0.3 82,-2.2 7,-0.2 83,-0.6 -0.284 51.2-122.9 -68.8 153.2 -23.8 64.8 8.9 16 17 A G > - 0 0 0 5,-2.0 4,-1.8 80,-0.2 -1,-0.1 -0.835 16.6-133.8 -95.9 135.0 -25.1 66.8 6.0 17 18 A I T 4 S+ 0 0 13 -2,-0.4 179,-2.5 78,-0.4 180,-0.7 0.835 100.2 29.7 -59.7 -35.0 -27.6 69.4 6.9 18 19 A H T 4 S+ 0 0 14 176,-0.3 177,-2.1 177,-0.2 -1,-0.2 0.889 125.5 39.1 -93.4 -45.2 -30.1 68.5 4.2 19 20 A T T 4 S- 0 0 29 176,-0.1 -2,-0.2 175,-0.1 3,-0.1 0.798 88.3-143.2 -75.1 -27.7 -29.6 64.8 3.5 20 21 A G < + 0 0 34 -4,-1.8 2,-0.2 1,-0.3 -3,-0.1 0.603 59.4 128.7 73.7 9.6 -29.2 64.0 7.2 21 22 A E - 0 0 88 -5,-0.1 -5,-2.0 -7,-0.0 2,-0.4 -0.622 65.6-108.7 -97.9 158.0 -26.6 61.4 6.0 22 23 A Y E +B 15 0B 148 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.697 43.8 172.3 -86.5 131.9 -23.0 61.0 7.1 23 24 A S E -B 14 0B 4 -9,-2.3 -9,-2.3 -2,-0.4 2,-0.4 -0.919 19.9-145.1-137.4 164.1 -20.3 62.1 4.7 24 25 A K E -BC 13 91B 77 67,-1.9 67,-2.9 -2,-0.3 2,-0.4 -0.980 6.0-154.4-133.6 144.9 -16.6 62.5 4.5 25 26 A L E -BC 12 90B 0 -13,-4.0 -13,-1.6 -2,-0.4 2,-0.4 -0.903 5.6-171.2-117.9 146.5 -14.3 65.0 2.8 26 27 A I E -BC 11 89B 30 63,-1.9 63,-2.6 -2,-0.4 2,-0.8 -0.934 13.6-153.0-137.4 108.3 -10.7 64.6 1.7 27 28 A I E -BC 10 88B 0 -17,-3.7 -17,-1.5 -2,-0.4 61,-0.2 -0.770 15.5-160.1 -88.6 112.5 -9.0 67.8 0.5 28 29 A H E - C 0 87B 36 59,-3.2 59,-2.0 -2,-0.8 -22,-0.1 -0.751 16.8-120.2 -96.7 135.9 -6.2 66.8 -1.9 29 30 A P E - C 0 86B 50 0, 0.0 2,-0.3 0, 0.0 57,-0.2 -0.367 33.9-170.8 -68.2 152.0 -3.3 69.1 -2.9 30 31 A E - 0 0 45 55,-0.8 55,-0.1 -24,-0.1 3,-0.1 -0.975 20.0-107.7-143.5 155.6 -3.1 69.9 -6.6 31 32 A K > - 0 0 148 -2,-0.3 3,-1.3 1,-0.2 4,-0.3 -0.180 54.9 -61.6 -78.2 173.8 -0.5 71.7 -8.8 32 33 A E T 3 S+ 0 0 46 1,-0.2 -1,-0.2 2,-0.1 53,-0.0 -0.156 118.7 22.4 -55.3 145.2 -0.7 75.1 -10.4 33 34 A G T 3 S+ 0 0 46 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.545 88.2 110.9 75.6 8.1 -3.5 75.7 -12.9 34 35 A T < - 0 0 38 -3,-1.3 51,-0.1 1,-0.1 -2,-0.1 0.909 59.9-159.4 -79.6 -43.5 -5.7 73.0 -11.6 35 36 A G - 0 0 23 49,-0.3 51,-1.5 -4,-0.3 2,-0.5 -0.298 35.7 -51.6 88.6-179.7 -8.5 75.2 -10.2 36 37 A I E +d 86 0B 18 202,-0.3 11,-2.5 49,-0.2 2,-0.3 -0.833 68.5 157.2 -96.9 129.7 -11.0 74.1 -7.5 37 38 A R E -dE 87 46B 61 49,-1.9 51,-2.8 -2,-0.5 2,-0.2 -0.993 33.2-131.8-150.4 154.0 -12.9 70.9 -8.2 38 39 A F E -dE 88 45B 0 7,-3.4 7,-2.8 -2,-0.3 2,-0.4 -0.651 16.0-153.2-101.9 162.9 -14.8 68.2 -6.4 39 40 A F E +dE 89 44B 45 49,-2.1 51,-3.3 5,-0.2 2,-0.3 -0.989 20.7 160.8-140.1 127.7 -14.4 64.5 -6.9 40 41 A K E > - E 0 43B 10 3,-2.2 3,-1.6 -2,-0.4 51,-0.1 -0.941 67.8 -16.0-151.9 126.4 -17.1 61.8 -6.4 41 42 A N T 3 S- 0 0 122 -2,-0.3 3,-0.1 49,-0.3 50,-0.0 0.879 129.1 -46.1 47.4 48.4 -17.4 58.2 -7.7 42 43 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.520 115.3 111.3 78.4 5.7 -14.8 58.7 -10.4 43 44 A V E < -E 40 0B 21 -3,-1.6 -3,-2.2 2,-0.0 2,-0.5 -0.945 56.9-145.0-119.2 133.0 -16.1 62.1 -11.6 44 45 A Y E -E 39 0B 106 -2,-0.4 -5,-0.2 -5,-0.2 45,-0.0 -0.816 13.8-166.3 -93.3 128.1 -14.5 65.5 -11.3 45 46 A I E -E 38 0B 0 -7,-2.8 -7,-3.4 -2,-0.5 18,-0.1 -0.934 16.3-136.7-117.7 107.4 -16.9 68.3 -10.8 46 47 A P E -E 37 0B 37 0, 0.0 2,-2.3 0, 0.0 -9,-0.3 -0.318 18.9-120.8 -61.4 141.9 -15.4 71.8 -11.3 47 48 A A S S+ 0 0 3 -11,-2.5 191,-0.4 191,-0.1 2,-0.3 -0.500 74.4 121.7 -82.3 69.4 -16.5 74.4 -8.8 48 49 A R S > S- 0 0 95 -2,-2.3 3,-2.1 189,-0.1 189,-0.2 -0.960 76.7-112.1-134.1 152.2 -17.9 76.6 -11.6 49 50 A H G > S+ 0 0 19 187,-2.4 3,-1.6 -2,-0.3 188,-0.1 0.712 108.3 71.6 -55.3 -26.3 -21.4 78.0 -12.2 50 51 A E G 3 S+ 0 0 100 1,-0.3 -1,-0.3 186,-0.2 -3,-0.1 0.741 98.2 51.1 -65.2 -19.7 -21.9 75.7 -15.3 51 52 A F G < S+ 0 0 37 -3,-2.1 11,-2.1 -5,-0.2 2,-0.3 0.303 77.8 121.3-101.2 10.1 -22.3 72.8 -12.9 52 53 A V E < +F 61 0C 27 -3,-1.6 9,-0.3 9,-0.2 3,-0.1 -0.570 27.1 167.2 -73.6 133.3 -24.9 74.2 -10.6 53 54 A V E + 0 0 63 7,-2.8 2,-0.3 1,-0.4 8,-0.2 0.521 62.1 22.6-122.4 -12.8 -28.0 72.0 -10.5 54 55 A H E +F 60 0C 52 6,-1.2 6,-2.8 1,-0.1 -1,-0.4 -0.975 43.1 173.8-157.4 140.0 -29.9 73.4 -7.5 55 56 A T + 0 0 28 -2,-0.3 2,-0.9 4,-0.2 198,-0.5 0.235 44.2 116.6-132.9 13.6 -30.1 76.6 -5.5 56 57 A N S S- 0 0 87 1,-0.2 3,-0.0 196,-0.1 195,-0.0 -0.765 101.1 -21.1 -91.4 105.9 -33.0 76.2 -3.1 57 58 A H S S+ 0 0 81 -2,-0.9 2,-0.3 136,-0.1 -1,-0.2 0.426 140.6 22.7 77.8 0.8 -31.7 76.2 0.5 58 59 A S S S- 0 0 0 2,-0.0 2,-0.6 14,-0.0 11,-0.0 -0.933 83.3-105.2-179.1 164.3 -28.2 75.4 -0.7 59 60 A T - 0 0 0 -2,-0.3 12,-2.2 -4,-0.1 2,-0.4 -0.938 40.9-170.8-106.9 116.0 -26.0 75.5 -3.8 60 61 A D E -F 54 0C 0 -6,-2.8 -7,-2.8 -2,-0.6 -6,-1.2 -0.877 6.7-158.9-113.1 144.3 -25.6 72.1 -5.4 61 62 A L E +FG 52 68C 0 7,-2.5 7,-2.9 -2,-0.4 2,-0.3 -0.809 13.6 170.1-116.7 157.1 -23.3 70.9 -8.2 62 63 A G E + G 0 67C 8 -11,-2.1 2,-0.3 -2,-0.3 5,-0.2 -0.990 10.7 171.2-163.2 157.2 -23.4 68.0 -10.5 63 69 A F E > + G 0 66C 85 3,-2.1 3,-1.9 -2,-0.3 -12,-0.0 -0.893 70.0 2.8-169.3 138.0 -21.9 66.4 -13.6 64 70 A K T 3 S- 0 0 155 1,-0.3 3,-0.1 -2,-0.3 -19,-0.0 0.845 131.1 -49.2 50.0 43.3 -22.2 63.0 -15.4 65 71 A G T 3 S+ 0 0 74 1,-0.2 2,-0.5 -22,-0.0 -1,-0.3 0.500 114.2 113.1 80.1 2.5 -24.9 61.7 -13.0 66 72 A Q E < -G 63 0C 46 -3,-1.9 -3,-2.1 2,-0.0 2,-0.3 -0.938 44.1-172.6-113.0 129.0 -23.0 62.6 -9.8 67 73 A R E -G 62 0C 125 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.898 12.6-168.4-122.9 149.9 -24.3 65.3 -7.5 68 74 A I E -G 61 0C 0 -7,-2.9 -7,-2.5 -2,-0.3 3,-0.2 -0.981 14.8-150.0-137.5 121.9 -23.0 67.1 -4.4 69 75 A K B +h 94 0D 33 24,-2.1 26,-2.2 -2,-0.4 -9,-0.2 -0.591 65.6 16.6 -92.9 153.2 -25.2 69.2 -2.2 70 76 A T + 0 0 6 -2,-0.2 4,-0.3 24,-0.2 3,-0.3 0.936 59.1 153.9 58.0 62.5 -24.2 72.3 -0.1 71 77 A V > + 0 0 0 -12,-2.2 4,-2.1 -3,-0.2 5,-0.2 0.500 46.7 95.4 -94.9 -3.6 -20.8 73.4 -1.4 72 78 A E H > S+ 0 0 6 -13,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.818 82.4 45.9 -58.4 -38.7 -21.2 77.0 -0.4 73 79 A H H > S+ 0 0 9 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.917 114.7 43.8 -75.9 -43.9 -19.4 76.9 3.0 74 80 A I H > S+ 0 0 0 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.910 116.3 49.8 -67.8 -36.9 -16.3 75.0 1.9 75 81 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.874 108.0 53.1 -68.2 -35.7 -16.1 77.1 -1.2 76 82 A S H X S+ 0 0 0 -4,-1.6 4,-3.0 -5,-0.2 -1,-0.2 0.942 110.6 47.1 -63.2 -46.8 -16.4 80.4 0.7 77 83 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.911 112.5 49.2 -60.9 -44.3 -13.5 79.4 3.0 78 84 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 4,-0.3 0.918 112.9 48.4 -61.7 -42.2 -11.4 78.3 0.0 79 85 A H H ><5S+ 0 0 7 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.943 109.7 51.4 -61.9 -49.9 -12.2 81.7 -1.6 80 86 A L H 3<5S+ 0 0 19 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.828 115.4 41.6 -57.9 -35.8 -11.4 83.7 1.5 81 87 A L T 3<5S- 0 0 20 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.371 109.9-122.7 -94.1 3.9 -8.0 82.0 1.9 82 88 A E T < 5 + 0 0 40 -3,-1.4 2,-0.7 -4,-0.3 -78,-0.4 0.842 47.6 167.0 57.7 35.8 -7.3 82.1 -1.8 83 89 A I < + 0 0 0 -5,-2.5 -1,-0.2 -6,-0.2 -78,-0.2 -0.762 2.9 170.2 -79.8 117.9 -6.8 78.4 -2.1 84 90 A T + 0 0 8 -80,-1.7 2,-0.4 -2,-0.7 -49,-0.3 0.567 56.2 48.9-108.4 -13.9 -6.9 78.0 -5.9 85 91 A N S S+ 0 0 2 -81,-2.1 -55,-0.8 -51,-0.1 -79,-0.4 -0.900 71.7 111.9-135.6 105.5 -5.8 74.4 -6.6 86 92 A V E -Cd 29 36B 0 -51,-1.5 -49,-1.9 -2,-0.4 2,-0.5 -0.972 49.6-132.7-164.9 155.9 -7.4 71.5 -4.7 87 93 A T E -Cd 28 37B 3 -59,-2.0 -59,-3.2 -2,-0.3 2,-1.0 -0.974 14.6-155.5-117.2 122.0 -9.6 68.5 -5.2 88 94 A I E -Cd 27 38B 0 -51,-2.8 -49,-2.1 -2,-0.5 2,-0.4 -0.824 13.3-159.4 -98.5 95.6 -12.4 68.1 -2.7 89 95 A E E -Cd 26 39B 49 -63,-2.6 -63,-1.9 -2,-1.0 2,-0.5 -0.643 7.2-157.3 -76.7 128.5 -13.1 64.3 -2.8 90 96 A V E -C 25 0B 4 -51,-3.3 2,-1.0 -2,-0.4 -49,-0.3 -0.938 16.4-169.3-115.8 119.0 -16.6 63.7 -1.4 91 97 A I E S+C 24 0B 92 -67,-2.9 -67,-1.9 -2,-0.5 2,-0.3 -0.827 73.1 23.9-103.0 89.6 -17.5 60.3 0.0 92 98 A G S S- 0 0 22 -2,-1.0 -69,-0.1 -69,-0.2 -2,-0.1 -0.925 98.5 -78.3 147.6-167.5 -21.3 60.9 0.3 93 99 A N S S+ 0 0 69 -2,-0.3 -24,-2.1 1,-0.2 2,-0.3 0.424 101.8 28.6-110.2 -0.1 -23.9 63.1 -1.2 94 100 A E B S-h 69 0D 0 -26,-0.2 -24,-0.2 -3,-0.1 -1,-0.2 -0.994 82.6 -98.0-158.6 153.1 -23.3 66.4 0.6 95 101 A I - 0 0 3 -26,-2.2 -78,-0.4 -2,-0.3 -82,-0.1 -0.539 53.5-102.3 -71.9 136.0 -20.6 68.5 2.3 96 102 A P - 0 0 3 0, 0.0 -80,-0.2 0, 0.0 -81,-0.1 -0.366 24.6-149.8 -59.7 138.6 -20.7 68.0 6.1 97 103 A I > + 0 0 5 -82,-2.2 3,-2.3 1,-0.2 4,-0.2 0.760 25.1 179.4 -81.7 -24.4 -22.4 71.0 7.7 98 104 A L T 3 S- 0 0 34 -83,-0.6 -1,-0.2 1,-0.3 4,-0.1 -0.383 71.7 -16.7 56.4-125.6 -20.3 70.7 10.9 99 105 A D T 3 S- 0 0 39 2,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.370 100.3 -99.4 -91.4 9.4 -21.4 73.6 13.2 100 106 A G S < S+ 0 0 0 -3,-2.3 78,-1.1 1,-0.4 2,-0.2 0.352 97.7 79.9 93.8 -7.1 -23.1 75.5 10.4 101 107 A S S S- 0 0 2 76,-0.2 -1,-0.4 -4,-0.2 -2,-0.2 -0.530 87.1-110.5-119.0-172.6 -20.2 77.9 9.9 102 108 A G S > S+ 0 0 0 72,-1.2 4,-3.3 74,-0.3 5,-0.2 0.347 82.3 109.0-102.8 7.8 -16.8 77.7 8.1 103 109 A W H > S+ 0 0 86 71,-1.0 4,-2.8 1,-0.2 5,-0.3 0.881 77.3 44.3 -50.4 -54.2 -14.7 77.8 11.3 104 110 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.909 118.3 45.5 -61.5 -42.2 -13.4 74.2 11.3 105 111 A F H > S+ 0 0 2 -4,-0.2 4,-2.7 2,-0.2 5,-0.3 0.947 114.2 49.3 -62.5 -50.9 -12.6 74.4 7.6 106 112 A Y H X S+ 0 0 12 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.907 112.4 46.0 -56.2 -49.2 -11.0 77.8 8.0 107 113 A E H X S+ 0 0 51 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.901 116.2 44.0 -64.1 -44.5 -8.8 76.8 10.9 108 114 A A H < S+ 0 0 21 -4,-1.9 -2,-0.2 -5,-0.3 3,-0.2 0.948 119.4 41.3 -67.8 -47.9 -7.6 73.5 9.5 109 115 A I H >< S+ 0 0 0 -4,-2.7 3,-2.0 -5,-0.2 -2,-0.2 0.885 107.2 61.5 -68.2 -40.1 -6.9 74.9 6.0 110 116 A R H >< S+ 0 0 86 -4,-2.5 3,-0.9 -5,-0.3 -1,-0.2 0.863 103.9 48.9 -56.3 -39.9 -5.4 78.2 7.1 111 117 A K T 3< S+ 0 0 164 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.235 111.3 52.8 -87.2 17.2 -2.5 76.5 8.9 112 118 A N T < S+ 0 0 24 -3,-2.0 -105,-2.4 -105,-0.0 -104,-0.3 0.039 73.7 141.6-136.8 25.6 -1.8 74.3 5.8 113 120 A I E < -A 6 0A 40 -3,-0.9 2,-0.5 -107,-0.2 -107,-0.2 -0.517 30.1-166.4 -74.7 135.8 -1.5 76.9 3.1 114 121 A L E -A 5 0A 73 -109,-2.5 -109,-1.8 -2,-0.2 2,-0.1 -0.958 13.6-141.3-126.4 110.8 1.2 76.2 0.5 115 122 A N E -A 4 0A 92 -2,-0.5 -111,-0.2 -111,-0.2 2,-0.2 -0.469 23.5-158.0 -70.1 141.8 2.1 79.1 -1.8 116 123 A Q E - 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