==== 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 OXIDOREDUCTASE 26-AUG-99 1CWU . COMPND 2 MOLECULE: ENOYL ACP REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRASSICA NAPUS; . AUTHOR A.ROUJEINIKOVA,J.B.RAFFERTY,D.W.RICE . 592 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 450 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.5 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 . 46 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.5 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 3 2 0 0 0 3 7 3 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 0 5 3 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 . 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 12 A L 0 0 32 0, 0.0 299,-2.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 89.0 27.4 69.0 10.7 2 13 A P B -A 299 0A 62 0, 0.0 2,-1.1 0, 0.0 267,-0.1 -0.509 360.0-121.7 -84.2 158.6 25.3 72.0 11.7 3 14 A I - 0 0 0 295,-5.9 2,-0.8 -2,-0.2 261,-0.1 -0.836 46.5-160.1 -92.6 101.6 21.5 72.4 11.5 4 15 A D + 0 0 54 -2,-1.1 29,-0.2 1,-0.1 28,-0.1 -0.774 40.4 151.1 -99.2 108.5 21.9 75.5 9.3 5 16 A L > + 0 0 1 27,-3.5 3,-2.4 -2,-0.8 28,-0.2 0.331 27.6 143.6-106.3 2.6 19.1 77.9 8.9 6 17 A R T 3 S+ 0 0 195 26,-0.8 28,-0.2 1,-0.3 3,-0.1 -0.095 76.6 18.4 -40.6 137.1 21.4 81.0 8.2 7 18 A G T 3 S+ 0 0 84 26,-0.6 -1,-0.3 1,-0.2 2,-0.3 0.534 105.5 115.9 73.7 1.3 19.7 83.2 5.7 8 19 A K < - 0 0 51 -3,-2.4 27,-2.7 25,-0.3 2,-0.4 -0.727 53.6-146.2-101.5 157.0 16.3 81.5 6.4 9 20 A R E -b 35 0B 48 -2,-0.3 111,-3.0 25,-0.2 112,-2.1 -0.972 10.6-162.5-126.2 141.7 13.3 83.2 7.9 10 21 A A E -bc 36 121B 0 25,-3.7 27,-2.8 -2,-0.4 2,-0.6 -0.948 12.5-156.4-125.9 140.4 10.7 81.7 10.2 11 22 A F E -bc 37 122B 0 110,-2.3 112,-2.7 -2,-0.4 2,-0.7 -0.952 15.2-165.4-110.7 115.4 7.2 82.6 11.3 12 23 A I E -bc 38 123B 0 25,-3.0 27,-3.8 -2,-0.6 2,-1.1 -0.840 2.3-163.6-106.2 102.9 6.3 81.1 14.6 13 24 A A E +bc 39 124B 0 110,-2.5 112,-2.0 -2,-0.7 27,-0.2 -0.676 67.6 43.2 -86.8 102.6 2.6 81.2 15.4 14 25 A G + 0 0 27 25,-2.3 2,-0.4 -2,-1.1 8,-0.3 0.679 64.5 123.0 139.2 30.6 2.2 80.6 19.1 15 26 A I + 0 0 5 24,-1.0 -1,-0.2 -3,-0.5 26,-0.2 -0.931 5.0 147.4-114.8 143.4 4.4 82.3 21.7 16 27 A A S S+ 0 0 42 1,-0.6 2,-0.3 -2,-0.4 -1,-0.1 0.314 75.9 9.2-148.6 -1.4 3.2 84.5 24.5 17 28 A D S S- 0 0 25 34,-0.0 -1,-0.6 40,-0.0 3,-0.5 -0.932 80.4-100.3-166.4 173.4 5.9 83.7 27.1 18 29 A D S S+ 0 0 34 -2,-0.3 -3,-0.0 1,-0.2 6,-0.0 0.108 100.5 87.4 -88.0 17.1 9.1 81.9 27.4 19 30 A N S S+ 0 0 85 4,-0.0 -1,-0.2 236,-0.0 2,-0.1 0.537 76.4 54.5 -97.8 -9.4 7.3 79.0 29.0 20 31 A G S > S- 0 0 14 -3,-0.5 4,-1.2 207,-0.2 206,-0.1 -0.322 92.3 -86.7-111.4-162.0 6.1 76.7 26.1 21 32 A Y H > S+ 0 0 28 2,-0.2 4,-4.0 1,-0.2 5,-0.2 0.833 115.6 64.0 -77.8 -34.4 7.4 74.9 23.1 22 33 A G H > S+ 0 0 2 -8,-0.3 4,-2.7 2,-0.3 -1,-0.2 0.905 103.1 48.4 -58.9 -42.3 7.1 77.7 20.7 23 34 A W H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.981 115.1 47.2 -60.2 -49.9 9.7 79.7 22.6 24 35 A A H X S+ 0 0 8 -4,-1.2 4,-2.0 1,-0.3 -2,-0.3 0.876 110.1 50.4 -58.5 -42.5 11.8 76.6 22.5 25 36 A V H X S+ 0 0 1 -4,-4.0 4,-2.7 1,-0.2 -1,-0.3 0.928 110.4 53.5 -62.4 -36.6 11.2 76.1 18.9 26 37 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.901 105.9 49.4 -65.7 -43.6 12.2 79.7 18.4 27 38 A K H X S+ 0 0 54 -4,-2.5 4,-4.5 2,-0.2 -1,-0.2 0.920 112.9 50.0 -62.0 -40.0 15.6 79.5 20.3 28 39 A S H X S+ 0 0 5 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.963 113.0 43.0 -62.8 -52.8 16.4 76.4 18.2 29 40 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 -1,-0.2 0.868 118.2 48.3 -60.3 -35.0 15.5 78.1 14.9 30 41 A A H ><5S+ 0 0 16 -4,-2.7 3,-3.1 -5,-0.2 -2,-0.2 0.987 108.8 52.3 -66.3 -54.4 17.4 81.2 16.2 31 42 A A H 3<5S+ 0 0 25 -4,-4.5 -2,-0.2 1,-0.3 -1,-0.2 0.806 106.6 55.1 -51.9 -30.5 20.3 79.1 17.3 32 43 A A T 3<5S- 0 0 4 -4,-2.0 -27,-3.5 -5,-0.2 -26,-0.8 0.453 126.2 -99.9 -83.7 -1.1 20.4 77.6 13.7 33 44 A G T < 5S+ 0 0 33 -3,-3.1 -26,-0.6 1,-0.3 -25,-0.3 0.434 73.8 142.4 99.4 1.4 20.6 81.1 12.2 34 45 A A < - 0 0 10 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.3 -0.366 53.9-116.8 -74.5 154.7 17.0 81.7 11.1 35 46 A E E -b 9 0B 56 -27,-2.7 -25,-3.7 -30,-0.2 2,-0.5 -0.823 32.8-135.5 -92.1 124.3 15.3 85.0 11.4 36 47 A I E +bd 10 71B 2 -2,-0.6 36,-1.4 34,-0.6 37,-1.0 -0.740 26.2 176.5 -88.7 126.9 12.4 84.9 13.8 37 48 A L E -bd 11 73B 0 -27,-2.8 -25,-3.0 -2,-0.5 2,-0.3 -0.993 24.0-149.2-123.4 116.3 9.0 86.4 13.2 38 49 A V E -bd 12 74B 0 35,-2.6 37,-3.0 -2,-0.5 2,-0.7 -0.720 8.7-148.9 -94.0 142.0 6.7 85.6 16.0 39 50 A G E -bd 13 75B 1 -27,-3.8 -25,-2.3 -2,-0.3 -24,-1.0 -0.909 21.9-170.6-107.1 107.0 2.9 85.2 15.8 40 51 A T E - d 0 76B 0 35,-3.1 37,-2.5 -2,-0.7 2,-0.4 -0.878 29.4-116.0-106.9 131.5 1.3 86.3 19.1 41 52 A W E >> - d 0 77B 139 -2,-0.5 3,-2.4 35,-0.2 4,-1.0 -0.430 38.2-121.7 -61.3 114.5 -2.3 85.7 20.0 42 53 A V H >> S+ 0 0 4 35,-1.3 3,-1.9 -2,-0.4 4,-0.7 0.754 104.5 58.6 -30.2 -56.2 -3.6 89.3 20.2 43 54 A P H 34 S+ 0 0 51 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.732 115.3 35.9 -47.4 -36.4 -4.8 89.4 23.7 44 55 A A H <> S+ 0 0 29 -3,-2.4 4,-2.5 1,-0.1 5,-0.2 0.463 94.5 91.7 -94.3 -17.1 -1.3 88.4 25.1 45 56 A L H S+ 0 0 106 -4,-0.3 4,-3.2 2,-0.2 5,-0.3 0.858 115.3 54.1 -63.7 -39.5 2.2 92.0 27.8 48 59 A F H X S+ 0 0 1 -4,-2.5 4,-3.4 2,-0.2 -2,-0.2 0.971 111.2 45.0 -59.0 -52.2 4.5 89.6 25.8 49 60 A E H X S+ 0 0 41 -4,-2.8 4,-3.5 -5,-0.2 5,-0.3 0.922 115.0 49.1 -57.5 -46.2 6.1 92.5 23.9 50 61 A T H X S+ 0 0 70 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.934 114.8 43.2 -58.8 -50.4 6.4 94.5 27.1 51 62 A S H X>S+ 0 0 13 -4,-3.2 5,-3.4 2,-0.2 4,-0.9 0.941 116.4 49.2 -61.8 -47.3 8.0 91.6 29.0 52 63 A L H ><5S+ 0 0 19 -4,-3.4 3,-1.1 -5,-0.3 5,-0.2 0.967 114.1 43.9 -56.4 -59.2 10.2 90.8 26.0 53 64 A R H 3<5S+ 0 0 162 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.818 114.7 48.1 -56.3 -41.7 11.4 94.4 25.4 54 65 A R H 3<5S- 0 0 173 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.598 122.4-107.5 -75.5 -16.8 12.0 95.1 29.1 55 66 A G T X<5S+ 0 0 18 -3,-1.1 3,-1.4 -4,-0.9 4,-0.3 0.724 70.2 142.7 98.8 26.9 13.9 91.8 29.3 56 67 A K T 3 S+ 0 0 3 -6,-0.4 4,-0.6 -5,-0.2 -1,-0.3 0.105 78.6 116.8-103.6 17.3 12.9 86.6 29.0 58 69 A D T X4 S+ 0 0 62 -3,-1.4 3,-1.1 2,-0.2 4,-0.3 0.923 80.2 42.0 -57.6 -47.0 16.6 87.5 28.8 59 70 A Q G >4 S+ 0 0 164 1,-0.3 3,-3.0 -4,-0.3 -1,-0.2 0.971 113.4 54.9 -62.1 -46.4 18.0 84.4 30.4 60 71 A S G 34 S+ 0 0 31 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.632 102.3 61.6 -60.4 -11.6 15.4 82.4 28.3 61 72 A R G << S+ 0 0 51 -3,-1.1 8,-3.6 -4,-0.6 2,-0.6 0.510 74.1 116.1 -91.1 -6.7 17.0 84.2 25.4 62 73 A V B < -G 68 0C 52 -3,-3.0 6,-0.3 -4,-0.3 5,-0.1 -0.521 54.8-151.2 -73.0 114.3 20.4 82.8 25.9 63 74 A L > - 0 0 14 4,-4.6 3,-2.1 -2,-0.6 -35,-0.1 -0.218 33.8 -95.0 -76.3 167.5 21.3 80.6 22.9 64 75 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.856 126.9 57.0 -51.0 -37.5 23.7 77.6 23.1 65 76 A D T 3 S- 0 0 124 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.633 120.3-107.8 -71.8 -12.5 26.5 80.0 22.0 66 77 A G S < S+ 0 0 53 -3,-2.1 2,-0.1 1,-0.5 -1,-0.1 0.211 86.4 119.8 100.2 -11.2 25.9 82.4 25.0 67 78 A S - 0 0 50 -5,-0.1 -4,-4.6 1,-0.1 -1,-0.5 -0.437 67.8-109.7 -80.2 158.7 24.4 84.9 22.6 68 79 A L B -G 62 0C 68 -6,-0.3 -6,-0.3 -2,-0.1 2,-0.1 -0.743 26.5-111.7 -96.8 140.3 20.8 86.0 23.0 69 80 A M - 0 0 0 -8,-3.6 2,-0.4 -2,-0.4 -42,-0.1 -0.413 28.9-148.7 -66.3 139.4 17.9 85.1 20.7 70 81 A E - 0 0 68 -2,-0.1 2,-0.9 -43,-0.1 -34,-0.6 -0.928 4.3-148.2-112.3 132.6 16.5 88.0 18.7 71 82 A I E -d 36 0B 27 -2,-0.4 -34,-0.1 1,-0.2 3,-0.1 -0.870 9.9-156.1-101.5 98.3 12.9 88.2 17.8 72 83 A K E - 0 0 113 -36,-1.4 2,-0.3 -2,-0.9 -35,-0.2 0.935 68.3 -21.6 -38.6 -55.4 12.8 90.0 14.4 73 84 A K E -d 37 0B 85 -37,-1.0 -35,-2.6 -3,-0.1 2,-0.5 -0.990 56.3-135.4-158.0 149.9 9.3 91.2 14.7 74 85 A V E -d 38 0B 13 -2,-0.3 -35,-0.2 -37,-0.2 -37,-0.0 -0.945 19.7-168.2-110.6 123.7 6.1 90.3 16.7 75 86 A Y E -d 39 0B 7 -37,-3.0 -35,-3.1 -2,-0.5 2,-0.2 -0.897 21.1-126.6-109.2 141.3 2.8 90.2 14.8 76 87 A P E +d 40 0B 20 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.598 40.3 171.0 -79.1 151.7 -0.6 90.0 16.6 77 88 A L E -d 41 0B 5 -37,-2.5 -35,-1.3 -2,-0.2 2,-0.4 -0.991 35.7-162.7-161.3 150.4 -2.8 87.1 15.4 78 89 A D > - 0 0 9 25,-2.5 3,-1.7 -2,-0.3 27,-0.5 -0.891 12.4-163.0-137.8 105.2 -5.8 85.1 15.9 79 90 A A T 3 S+ 0 0 10 -2,-0.4 78,-0.2 1,-0.3 79,-0.1 0.382 83.7 69.0 -71.4 2.9 -5.8 81.9 14.0 80 91 A V T 3 S+ 0 0 56 1,-0.1 2,-0.5 77,-0.1 -1,-0.3 0.625 95.7 66.2 -89.9 -17.0 -9.5 81.2 14.3 81 92 A F < + 0 0 34 -3,-1.7 24,-2.7 22,-0.2 -3,-0.3 -0.931 56.1 178.7-113.9 121.5 -10.0 84.2 12.0 82 93 A D + 0 0 30 -2,-0.5 24,-2.8 22,-0.3 25,-0.3 0.870 66.7 6.3 -88.2 -41.4 -8.9 84.0 8.4 83 94 A N S >> S- 0 0 25 23,-0.2 3,-2.2 22,-0.2 4,-0.5 -0.938 74.3-103.8-143.6 161.2 -9.9 87.3 7.0 84 95 A P G >4 S+ 0 0 62 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.904 116.7 60.8 -51.9 -45.3 -11.5 90.6 8.1 85 96 A E G 34 S+ 0 0 142 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.617 101.3 61.8 -60.5 -4.2 -14.9 89.9 6.7 86 97 A D G <4 S+ 0 0 77 -3,-2.2 -1,-0.2 2,-0.1 -4,-0.0 0.693 78.8 95.3 -93.2 -25.1 -14.8 86.9 9.2 87 98 A V S << S- 0 0 31 -3,-1.5 2,-0.3 -4,-0.5 -6,-0.0 -0.494 73.0-125.5 -74.8 139.5 -14.5 88.6 12.5 88 99 A P >> - 0 0 59 0, 0.0 4,-2.9 0, 0.0 3,-0.6 -0.639 18.0-120.8 -81.8 141.4 -17.7 89.3 14.5 89 100 A E H 3> S+ 0 0 87 1,-0.3 4,-3.5 -2,-0.3 5,-0.3 0.876 119.3 53.5 -46.8 -40.9 -18.5 92.9 15.7 90 101 A D H 3> S+ 0 0 77 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.932 110.2 46.2 -58.2 -48.3 -18.5 91.5 19.2 91 102 A V H <4 S+ 0 0 12 -3,-0.6 6,-0.2 2,-0.2 -2,-0.2 0.934 114.9 46.7 -62.1 -47.1 -15.0 90.0 18.5 92 103 A K H < S+ 0 0 50 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.940 115.5 44.5 -61.1 -47.6 -13.8 93.3 17.0 93 104 A A H < S+ 0 0 78 -4,-3.5 5,-0.3 -5,-0.3 -2,-0.2 0.894 87.2 110.6 -62.2 -40.1 -15.2 95.3 19.8 94 105 A N S >X S- 0 0 84 -4,-2.9 4,-0.8 -5,-0.3 3,-0.6 -0.099 82.6-115.6 -38.9 116.8 -13.8 92.7 22.3 95 106 A K H >> S+ 0 0 75 1,-0.2 3,-1.4 2,-0.2 4,-0.9 0.713 101.3 48.0 -34.5 -71.8 -11.1 94.9 23.9 96 107 A R H >4 S+ 0 0 43 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.897 106.6 63.9 -44.6 -43.7 -7.5 93.7 23.2 97 108 A Y H X4 S+ 0 0 21 -3,-0.6 3,-1.6 1,-0.3 -1,-0.3 0.870 91.4 63.3 -51.6 -41.4 -8.5 93.4 19.6 98 109 A A H << S+ 0 0 82 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.924 97.9 59.4 -50.7 -47.7 -9.0 97.2 19.4 99 110 A G T << S+ 0 0 73 -4,-0.9 2,-0.3 -3,-0.8 -1,-0.3 0.463 111.8 25.1 -57.7 -18.0 -5.4 97.7 20.2 100 111 A S S < S- 0 0 28 -3,-1.6 2,-0.3 -4,-0.4 3,-0.2 -0.907 71.1-167.5-140.8 164.1 -3.6 95.9 17.2 101 112 A S + 0 0 74 -2,-0.3 -3,-0.0 1,-0.2 -2,-0.0 -0.891 59.9 57.6-147.2 178.0 -5.1 95.2 13.8 102 113 A N + 0 0 71 -2,-0.3 9,-0.2 1,-0.1 -1,-0.2 0.885 69.8 136.5 64.3 32.6 -4.4 93.2 10.7 103 114 A W + 0 0 18 -3,-0.2 -25,-2.5 4,-0.1 -22,-0.2 0.507 26.8 102.1 -96.6 -3.1 -4.5 90.2 13.0 104 115 A T S > S- 0 0 0 -27,-0.2 4,-3.1 1,-0.1 -22,-0.3 -0.385 88.6-105.8 -68.5 161.5 -6.6 87.7 11.0 105 116 A V H > S+ 0 0 0 -24,-2.7 4,-2.7 -27,-0.5 5,-0.2 0.875 120.3 49.9 -58.3 -44.8 -4.4 85.0 9.4 106 117 A Q H > S+ 0 0 85 -24,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.907 113.8 44.9 -62.6 -42.2 -4.7 86.5 5.9 107 118 A E H > S+ 0 0 46 -25,-0.3 4,-2.7 2,-0.2 5,-0.2 0.957 112.2 52.6 -65.9 -48.8 -3.8 90.0 7.1 108 119 A A H X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.3 -2,-0.2 0.933 108.7 49.0 -51.7 -53.4 -0.9 88.6 9.2 109 120 A A H X S+ 0 0 8 -4,-2.7 4,-2.9 1,-0.2 -1,-0.3 0.896 110.4 53.2 -57.4 -38.1 0.5 86.8 6.2 110 121 A E H X S+ 0 0 67 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.933 106.0 50.6 -63.1 -46.8 0.1 90.0 4.2 111 122 A C H X S+ 0 0 25 -4,-2.7 4,-3.4 1,-0.2 -1,-0.2 0.929 112.9 48.7 -56.1 -43.0 2.0 92.2 6.7 112 123 A V H X>S+ 0 0 0 -4,-2.4 4,-3.6 -5,-0.2 5,-1.3 0.934 109.5 50.8 -62.8 -46.6 4.7 89.6 6.6 113 124 A R H X5S+ 0 0 105 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.971 116.4 41.0 -53.4 -58.6 4.8 89.5 2.9 114 125 A Q H <5S+ 0 0 125 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.909 118.7 49.3 -55.7 -45.2 5.1 93.3 2.8 115 126 A D H <5S- 0 0 59 -4,-3.4 -2,-0.2 -5,-0.3 -1,-0.2 0.908 138.5 -5.6 -63.4 -50.8 7.5 93.2 5.7 116 127 A F H <5S- 0 0 51 -4,-3.6 -3,-0.2 -5,-0.1 -2,-0.2 0.441 82.8-131.9-129.2 -3.7 10.0 90.6 4.6 117 128 A G S < - 0 0 12 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.820 4.6-167.6-142.3 97.6 -10.2 74.0 23.7 130 141 A P T 3 S+ 0 0 82 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.848 96.1 33.2 -53.4 -37.5 -12.9 75.9 25.6 131 142 A E T > S+ 0 0 25 58,-0.3 3,-3.0 1,-0.2 58,-0.6 -0.084 75.7 129.7-106.6 27.0 -14.3 72.6 27.0 132 143 A V T < + 0 0 19 -3,-2.0 56,-1.7 1,-0.3 58,-0.2 0.865 69.3 63.6 -52.0 -31.8 -11.1 70.7 27.2 133 144 A S T 3 S+ 0 0 97 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.537 92.2 82.9 -72.4 -4.5 -12.1 69.9 30.8 134 145 A K S < S- 0 0 96 -3,-3.0 55,-2.8 1,-0.1 56,-0.3 -0.788 82.0-115.7-104.1 147.6 -15.1 68.0 29.6 135 146 A P - 0 0 63 0, 0.0 3,-0.5 0, 0.0 4,-0.4 -0.324 37.5-105.8 -66.5 157.3 -15.3 64.4 28.4 136 147 A L S > S+ 0 0 93 1,-0.2 3,-1.6 2,-0.2 8,-0.1 0.918 124.2 57.5 -51.6 -40.7 -16.2 63.9 24.8 137 148 A L T 3 S+ 0 0 174 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.886 111.5 39.6 -58.1 -41.5 -19.6 62.8 26.2 138 149 A E T 3 S+ 0 0 132 -3,-0.5 2,-0.5 -7,-0.1 -1,-0.3 0.189 95.2 110.1 -92.5 15.2 -20.1 66.1 28.1 139 150 A T < - 0 0 21 -3,-1.6 2,-0.1 -4,-0.4 -7,-0.0 -0.836 62.3-134.2 -99.9 123.7 -18.7 68.2 25.2 140 151 A S > - 0 0 53 -2,-0.5 4,-3.0 1,-0.1 5,-0.3 -0.311 21.6-114.4 -73.3 154.8 -21.0 70.5 23.1 141 152 A R H > S+ 0 0 205 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.909 117.7 49.2 -51.5 -48.9 -20.9 70.7 19.4 142 153 A K H > S+ 0 0 71 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.968 111.6 47.1 -57.6 -55.0 -19.7 74.3 19.6 143 154 A G H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.948 114.6 48.0 -52.2 -49.2 -16.9 73.6 22.1 144 155 A Y H X S+ 0 0 86 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.942 114.5 45.5 -58.0 -49.4 -15.8 70.6 19.9 145 156 A L H X S+ 0 0 94 -4,-3.3 4,-2.6 -5,-0.3 -1,-0.2 0.915 109.6 55.3 -63.4 -39.2 -15.9 72.7 16.8 146 157 A A H X S+ 0 0 34 -4,-3.7 4,-3.1 1,-0.2 5,-0.3 0.934 108.8 48.1 -57.5 -49.1 -14.1 75.6 18.6 147 158 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 42,-0.3 -19,-0.4 0.889 112.1 48.5 -58.1 -44.5 -11.2 73.2 19.5 148 159 A I H X>S+ 0 0 39 -4,-2.1 5,-2.5 -5,-0.2 4,-1.6 0.905 114.7 46.2 -65.8 -37.8 -11.0 71.8 16.0 149 160 A S H <>S+ 0 0 40 -4,-2.6 5,-1.2 3,-0.2 -2,-0.2 0.910 120.0 37.3 -68.8 -50.0 -11.0 75.4 14.5 150 161 A A H <5S+ 0 0 7 -4,-3.1 -2,-0.2 -22,-0.3 -3,-0.2 0.853 129.7 30.6 -72.9 -39.8 -8.4 76.8 16.9 151 162 A S H <5S+ 0 0 0 -4,-2.6 -3,-0.2 -23,-0.3 -2,-0.2 0.608 134.4 19.1 -98.7 -12.9 -6.2 73.8 17.2 152 163 A S T >X5S+ 0 0 4 -4,-1.6 3,-1.5 -5,-0.3 4,-1.1 0.702 122.5 40.7-125.7 -62.1 -6.6 72.2 13.9 153 164 A Y H 3> S+ 0 0 0 -3,-1.5 4,-2.7 1,-0.2 5,-0.3 0.918 108.7 52.8 -71.2 -39.8 -2.8 75.1 10.8 156 167 A V H X S+ 0 0 28 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.888 111.3 46.5 -60.9 -40.1 -4.6 74.8 7.5 157 168 A S H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.967 113.8 46.8 -66.2 -53.9 -5.3 78.5 7.3 158 169 A L H X S+ 0 0 1 -4,-2.0 4,-3.5 -5,-0.3 5,-0.3 0.959 116.8 43.1 -54.1 -54.4 -1.8 79.5 8.2 159 170 A L H X S+ 0 0 2 -4,-2.7 4,-3.8 1,-0.2 -1,-0.2 0.965 116.2 48.0 -56.1 -54.6 -0.1 77.1 5.9 160 171 A S H < S+ 0 0 69 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.878 117.0 43.0 -51.5 -46.9 -2.5 77.9 3.1 161 172 A H H < S+ 0 0 46 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.875 121.2 39.5 -71.2 -40.6 -2.1 81.6 3.6 162 173 A F H >< S+ 0 0 0 -4,-3.5 3,-2.9 -5,-0.3 4,-0.3 0.802 92.9 84.9 -80.2 -31.3 1.7 81.6 4.0 163 174 A L G >< S+ 0 0 12 -4,-3.8 3,-2.3 -5,-0.3 -1,-0.2 0.845 82.9 60.6 -39.0 -48.1 2.5 78.9 1.3 164 175 A P G 3 S+ 0 0 86 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.646 111.2 40.1 -58.1 -18.3 2.6 81.6 -1.5 165 176 A I G < S+ 0 0 21 -3,-2.9 -46,-2.6 -4,-0.1 2,-0.5 0.157 91.6 108.9-113.8 11.5 5.4 83.4 0.3 166 177 A M E < S-e 119 0B 3 -3,-2.3 -46,-0.2 -4,-0.3 4,-0.1 -0.810 71.7-125.0 -91.7 126.1 7.3 80.2 1.4 167 178 A N E > - 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