==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-OCT-12 4HSO . COMPND 2 MOLECULE: 3-DEOXY-D-ARABINO-HEPTULOSONATE 7-PHOSPHATE SYNTH . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR P.J.CROSS,A.L.PIETERSMA,T.M.ALLISON,S.M.WILSON-COUTTS,F.C.CO . 1384 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 963 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 174 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 4.3 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 . 8 0.6 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 . 4 0.3 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 . 78 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 444 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.1 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 3 0 0 7 1 0 4 0 0 3 4 1 0 7 5 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 12 7 9 8 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 . 6 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 0 0 0 4 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 6 A P 0 0 115 0, 0.0 370,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 108.1 -31.2 -53.1 -1.0 2 7 A T + 0 0 9 375,-0.0 2,-0.4 520,-0.0 496,-0.2 0.284 360.0 103.3-144.2 8.1 -30.5 -56.9 -1.5 3 8 A D S S- 0 0 65 1,-0.2 517,-0.0 2,-0.1 493,-0.0 -0.880 88.0 -21.4-117.2 131.2 -27.5 -57.4 -3.7 4 9 A D S > S+ 0 0 43 1383,-2.3 3,-1.0 -2,-0.4 -1,-0.2 0.694 79.3 141.7 59.7 28.8 -23.8 -58.3 -3.0 5 10 A I T 3 + 0 0 103 1382,-0.4 -1,-0.1 1,-0.3 515,-0.1 0.493 64.9 51.6 -89.6 -2.7 -24.0 -57.3 0.6 6 11 A K T 3 S+ 0 0 17 513,-0.5 559,-3.1 1381,-0.1 2,-0.5 0.042 91.1 100.4-106.7 19.1 -21.9 -60.0 2.2 7 12 A I E < -A 564 0A 27 -3,-1.0 557,-0.3 557,-0.3 3,-0.1 -0.932 50.9-172.4-109.2 116.1 -19.1 -59.2 -0.4 8 13 A K E - 0 0 135 555,-2.1 2,-0.3 -2,-0.5 556,-0.2 0.841 68.4 -19.3 -77.0 -36.9 -16.2 -57.1 0.9 9 14 A E E -A 563 0A 103 554,-1.7 554,-2.7 2,-0.0 2,-0.5 -0.961 46.5-139.3-165.4 153.4 -14.6 -56.6 -2.5 10 15 A V E -A 562 0A 61 -2,-0.3 2,-0.3 552,-0.2 552,-0.2 -0.994 34.8-163.9-116.0 123.9 -14.3 -57.9 -6.1 11 16 A K E -A 561 0A 62 550,-3.2 550,-2.7 -2,-0.5 -2,-0.0 -0.729 25.1 -85.2-115.7 161.3 -10.6 -57.8 -7.4 12 17 A E - 0 0 111 -2,-0.3 2,-0.4 548,-0.2 105,-0.2 -0.264 38.7-170.2 -66.7 140.6 -8.8 -58.1 -10.7 13 18 A L - 0 0 11 546,-0.4 546,-0.1 103,-0.1 -1,-0.0 -0.996 20.2-132.1-132.8 122.1 -8.0 -61.6 -12.0 14 19 A L - 0 0 7 -2,-0.4 199,-0.1 694,-0.1 889,-0.0 -0.562 31.8-118.6 -66.7 139.2 -5.8 -62.1 -15.0 15 20 A P >> - 0 0 9 0, 0.0 3,-2.0 0, 0.0 4,-0.9 -0.407 25.0-102.5 -76.3 163.5 -7.4 -64.5 -17.4 16 21 A P H 3> S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 3,-0.5 0.851 117.9 64.7 -50.7 -43.4 -5.8 -67.9 -18.4 17 22 A I H 3> S+ 0 0 18 194,-2.6 4,-1.8 1,-0.2 5,-0.1 0.787 95.6 58.0 -53.7 -28.4 -4.6 -66.5 -21.7 18 23 A A H <> S+ 0 0 3 -3,-2.0 4,-1.4 193,-0.2 -1,-0.2 0.926 112.4 40.3 -69.5 -42.1 -2.3 -64.1 -19.9 19 24 A H H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.5 -2,-0.2 0.888 113.4 53.8 -71.3 -41.1 -0.6 -67.0 -18.2 20 25 A L H < S+ 0 0 33 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.836 106.5 53.8 -62.3 -33.3 -0.6 -69.2 -21.3 21 26 A Y H < S+ 0 0 81 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.879 114.5 39.6 -64.8 -43.5 1.1 -66.4 -23.3 22 27 A E H < S+ 0 0 55 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.825 130.1 29.5 -70.6 -35.6 4.0 -66.1 -20.8 23 28 A L S < S- 0 0 32 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.569 79.7-177.7-130.9 67.0 4.2 -69.8 -20.2 24 29 A P - 0 0 79 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.339 38.6 -99.8 -68.2 150.8 3.2 -71.6 -23.3 25 30 A I - 0 0 53 1,-0.1 2,-0.1 4,-0.1 103,-0.0 -0.559 41.9-132.1 -69.5 133.9 3.1 -75.4 -23.2 26 31 A S > - 0 0 25 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.382 18.1-110.6 -81.7 165.0 6.3 -76.7 -24.9 27 32 A K H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.902 120.1 48.6 -61.8 -37.9 6.3 -79.5 -27.5 28 33 A E H > S+ 0 0 125 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 112.1 47.1 -72.0 -41.7 8.0 -81.9 -25.0 29 34 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.927 112.2 52.4 -61.3 -44.1 5.5 -81.1 -22.2 30 35 A S H X S+ 0 0 52 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.945 110.9 46.8 -52.7 -52.2 2.7 -81.5 -24.7 31 36 A G H X S+ 0 0 40 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.885 112.9 48.0 -60.8 -45.5 4.0 -84.9 -25.7 32 37 A L H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.913 113.1 47.0 -62.7 -47.4 4.5 -86.1 -22.2 33 38 A V H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.967 114.4 47.7 -58.7 -49.2 1.1 -85.1 -21.0 34 39 A H H X S+ 0 0 116 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.938 115.8 44.1 -59.6 -46.5 -0.6 -86.7 -24.1 35 40 A R H X S+ 0 0 114 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.903 113.3 49.5 -66.0 -45.8 1.3 -89.9 -23.7 36 41 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.918 108.0 53.8 -66.5 -40.0 0.9 -90.2 -19.9 37 42 A R H X S+ 0 0 35 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.941 111.7 47.3 -56.0 -45.1 -2.8 -89.6 -20.2 38 43 A Q H X S+ 0 0 108 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.911 110.5 50.3 -60.2 -47.5 -2.9 -92.5 -22.7 39 44 A E H X S+ 0 0 34 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.869 111.5 49.2 -63.8 -35.6 -0.8 -94.8 -20.5 40 45 A I H >X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 3,-0.5 0.909 106.6 55.6 -69.3 -41.6 -3.1 -94.1 -17.6 41 46 A S H 3X S+ 0 0 14 -4,-2.2 4,-1.8 1,-0.3 6,-0.2 0.924 104.5 54.6 -53.9 -46.9 -6.2 -94.8 -19.7 42 47 A D H 3<>S+ 0 0 55 -4,-2.2 5,-2.4 1,-0.2 6,-1.3 0.831 108.7 47.5 -57.7 -33.5 -4.7 -98.1 -20.5 43 48 A L H X<5S+ 0 0 2 -4,-1.0 3,-1.1 -3,-0.5 -2,-0.2 0.898 108.1 55.2 -76.3 -38.3 -4.3 -98.9 -16.8 44 49 A V H 3<5S+ 0 0 0 -4,-2.8 214,-0.5 1,-0.2 -2,-0.2 0.828 112.8 41.6 -60.6 -34.2 -7.8 -97.8 -16.0 45 50 A H T 3<5S- 0 0 71 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.277 115.4-109.7-103.3 12.3 -9.3 -100.2 -18.6 46 51 A G T < 5S+ 0 0 31 -3,-1.1 -3,-0.2 2,-0.2 -4,-0.1 0.726 82.8 122.4 73.7 22.0 -7.0 -103.2 -17.8 47 52 A R S - 0 0 41 1,-0.1 4,-2.1 2,-0.0 3,-0.2 -0.822 59.9-162.0-148.1 104.4 7.6 -74.3 -2.0 63 68 A P H > S+ 0 0 26 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.791 89.8 59.0 -59.3 -27.1 8.3 -74.7 -5.7 64 69 A K H > S+ 0 0 160 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.948 108.7 42.4 -70.2 -50.3 12.1 -75.1 -5.2 65 70 A A H > S+ 0 0 2 -3,-0.2 4,-2.7 1,-0.2 5,-0.2 0.865 111.4 57.9 -59.3 -39.2 11.8 -78.1 -2.9 66 71 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.880 106.9 47.2 -60.0 -39.9 9.2 -79.5 -5.2 67 72 A L H X S+ 0 0 59 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.901 112.1 49.4 -72.0 -36.6 11.7 -79.4 -8.1 68 73 A E H X S+ 0 0 78 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.926 112.4 48.3 -61.4 -47.9 14.4 -81.0 -6.0 69 74 A Y H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.929 110.3 52.5 -56.3 -46.9 11.9 -83.8 -5.0 70 75 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.879 104.5 55.4 -59.0 -40.5 10.9 -84.2 -8.6 71 76 A E H X S+ 0 0 102 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.948 112.0 43.2 -62.2 -45.6 14.6 -84.6 -9.7 72 77 A R H X S+ 0 0 74 -4,-1.9 4,-1.0 1,-0.2 3,-0.4 0.907 114.3 50.6 -62.5 -41.0 15.0 -87.5 -7.3 73 78 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 3,-0.4 0.884 100.8 63.4 -67.8 -36.5 11.7 -89.0 -8.2 74 79 A L H X S+ 0 0 51 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.858 98.2 55.5 -58.9 -33.7 12.5 -88.9 -11.9 75 80 A K H X S+ 0 0 130 -4,-1.0 4,-2.6 -3,-0.4 -1,-0.2 0.901 112.1 42.4 -65.2 -39.3 15.4 -91.4 -11.4 76 81 A L H X S+ 0 0 15 -4,-1.0 4,-2.7 -3,-0.4 -2,-0.2 0.860 109.1 57.6 -75.3 -39.7 13.0 -93.9 -9.8 77 82 A R H < S+ 0 0 26 -4,-2.8 9,-0.2 2,-0.2 -2,-0.2 0.920 113.9 41.3 -50.9 -46.2 10.2 -93.2 -12.5 78 83 A K H >< S+ 0 0 52 -4,-2.2 3,-1.5 -5,-0.2 -2,-0.2 0.955 114.1 50.8 -68.4 -51.8 12.8 -94.2 -15.1 79 84 A Q H 3< S+ 0 0 120 -4,-2.6 3,-0.3 1,-0.3 -2,-0.2 0.886 119.8 35.3 -52.7 -44.2 14.3 -97.1 -13.1 80 85 A Y T >X S+ 0 0 28 -4,-2.7 4,-3.3 1,-0.2 3,-2.5 0.246 78.8 121.8 -98.1 14.3 10.8 -98.7 -12.5 81 86 A E T <4 S+ 0 0 112 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.627 72.2 54.1 -61.2 -17.1 9.2 -97.8 -15.8 82 87 A N T 34 S+ 0 0 103 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.660 123.9 25.7 -84.9 -18.4 8.4 -101.4 -16.7 83 88 A E T <4 S+ 0 0 28 -3,-2.5 -32,-2.1 1,-0.3 2,-0.3 0.719 125.1 35.1-111.9 -31.3 6.6 -102.0 -13.4 84 89 A L E < -c 51 0B 2 -4,-3.3 2,-0.7 -34,-0.2 -1,-0.3 -0.942 55.8-149.4-131.3 144.0 5.3 -98.6 -12.2 85 90 A L E -c 52 0B 3 -34,-2.4 -32,-2.9 -2,-0.3 2,-0.4 -0.941 30.1-159.9-109.1 103.5 4.0 -95.5 -13.9 86 91 A I E +c 53 0B 0 -2,-0.7 2,-0.4 -9,-0.2 -32,-0.2 -0.720 16.9 172.2 -93.7 130.8 5.2 -92.8 -11.5 87 92 A V E -c 54 0B 0 -34,-2.7 -32,-2.1 -2,-0.4 50,-0.2 -1.000 30.7-118.0-135.5 137.4 3.5 -89.4 -11.5 88 93 A M E -ce 55 137B 0 48,-2.2 50,-1.9 -2,-0.4 2,-0.6 -0.491 18.9-121.5 -82.3 142.2 4.2 -86.7 -9.0 89 94 A R E + e 0 138B 2 -34,-1.8 2,-0.2 -2,-0.2 50,-0.2 -0.743 33.9 173.5 -75.5 118.1 1.5 -85.3 -6.6 90 95 A V + 0 0 0 48,-2.8 2,-0.6 -2,-0.6 -31,-0.1 -0.670 8.9 175.1-128.5 73.2 1.4 -81.5 -7.4 91 96 A Y + 0 0 6 -34,-0.4 -31,-2.5 -2,-0.2 13,-0.2 -0.744 16.1 163.6 -91.7 113.8 -1.5 -80.4 -5.2 92 97 A F + 0 0 1 -2,-0.6 13,-1.3 48,-0.2 14,-0.5 0.408 64.2 62.7-105.2 -14.4 -2.1 -76.7 -5.2 93 98 A E - 0 0 15 47,-0.2 10,-0.2 10,-0.2 47,-0.2 -0.985 64.0-173.4-121.2 121.4 -5.7 -76.7 -3.8 94 99 A K - 0 0 16 8,-3.0 2,-0.6 -2,-0.4 6,-0.1 -0.942 16.6-141.7-120.1 126.3 -6.4 -78.1 -0.3 95 100 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 4,-0.1 -0.715 20.4-153.1 -91.6 122.7 -9.8 -78.7 1.2 96 101 A R - 0 0 76 -2,-0.6 4,-0.1 2,-0.2 6,-0.0 -0.585 22.1-125.4 -93.2 158.6 -10.0 -77.9 4.9 97 102 A T S S- 0 0 79 -2,-0.2 446,-0.2 2,-0.2 -1,-0.1 0.875 99.6 -22.6 -67.7 -42.8 -12.3 -79.4 7.5 98 103 A T S S- 0 0 55 1,-0.3 2,-0.3 444,-0.1 -2,-0.2 0.330 124.4 -23.8-125.8 -85.6 -13.5 -75.9 8.5 99 104 A V S S+ 0 0 65 -4,-0.1 -1,-0.3 443,-0.0 2,-0.3 -0.875 71.9 112.1-131.5 164.6 -10.9 -73.2 7.6 100 105 A G S S- 0 0 34 -2,-0.3 -4,-0.2 -4,-0.1 2,-0.1 -0.898 71.3 -29.0 156.3 176.2 -7.1 -73.0 6.9 101 106 A W - 0 0 42 -2,-0.3 3,-0.1 1,-0.2 6,-0.0 -0.355 49.5-160.0 -52.9 124.7 -4.5 -72.3 4.3 102 107 A K - 0 0 17 1,-0.3 -8,-3.0 -2,-0.1 2,-0.2 0.472 48.5 -90.5 -93.9 -2.1 -6.2 -73.5 1.0 103 108 A G > - 0 0 1 -10,-0.2 4,-1.9 1,-0.1 -1,-0.3 -0.721 51.6 -49.4 124.4-174.5 -2.9 -73.9 -0.8 104 109 A L T 4 S+ 0 0 2 -44,-0.4 -1,-0.1 -2,-0.2 -11,-0.1 0.817 126.7 50.6 -71.4 -33.3 -0.3 -72.2 -3.0 105 110 A I T 4 S+ 0 0 6 -13,-1.3 14,-0.4 2,-0.2 15,-0.2 0.991 113.9 42.9 -68.4 -57.4 -2.8 -70.8 -5.5 106 111 A N T 4 S+ 0 0 19 -14,-0.5 10,-0.2 1,-0.2 -2,-0.2 0.760 139.4 5.1 -59.5 -31.6 -5.1 -69.3 -3.0 107 112 A D >< + 0 0 10 -4,-1.9 3,-2.3 7,-0.2 -1,-0.2 -0.416 65.2 171.6-155.9 64.9 -2.3 -67.8 -0.9 108 113 A P T 3 S+ 0 0 11 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.729 79.3 57.2 -57.3 -27.4 1.2 -68.3 -2.3 109 114 A H T 3 S- 0 0 73 -5,-0.0 -5,-0.1 1,-0.0 -48,-0.0 0.351 99.1-134.8 -83.2 2.6 3.0 -66.0 0.2 110 115 A L S < S+ 0 0 66 -3,-2.3 -9,-0.1 -7,-0.2 -6,-0.0 0.652 82.4 95.0 60.0 20.0 1.6 -68.2 3.2 111 116 A D S S- 0 0 98 -4,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.061 104.3 -93.1-134.1 16.3 0.7 -65.0 5.1 112 117 A G S S+ 0 0 42 -5,-0.2 -5,-0.1 1,-0.1 -2,-0.0 0.833 87.7 121.2 72.5 35.1 -3.0 -64.3 4.3 113 118 A T - 0 0 71 2,-0.0 3,-0.2 -6,-0.0 -6,-0.1 0.511 59.9-146.8-107.8 -9.6 -2.5 -62.0 1.3 114 119 A F + 0 0 66 1,-0.2 2,-2.1 2,-0.1 3,-0.2 0.857 24.0 177.4 50.9 45.4 -4.4 -64.1 -1.1 115 120 A D > + 0 0 53 1,-0.2 4,-2.5 2,-0.1 3,-0.2 -0.453 7.8 166.5 -80.4 73.7 -2.3 -63.1 -4.1 116 121 A I H > + 0 0 3 -2,-2.1 4,-3.0 1,-0.2 5,-0.3 0.859 68.6 57.0 -68.1 -34.9 -4.1 -65.4 -6.5 117 122 A N H > S+ 0 0 21 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.949 112.2 42.3 -56.6 -49.3 -2.6 -63.9 -9.7 118 123 A F H > S+ 0 0 73 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.924 113.8 54.1 -63.6 -40.8 0.9 -64.7 -8.4 119 124 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 -14,-0.4 -2,-0.2 0.906 108.7 46.7 -64.4 -41.3 -0.3 -68.1 -7.2 120 125 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 -15,-0.2 -1,-0.2 0.905 113.3 49.9 -65.1 -41.4 -1.7 -69.2 -10.5 121 126 A R H X S+ 0 0 40 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.942 112.8 46.5 -59.8 -49.7 1.5 -67.9 -12.2 122 127 A Q H X S+ 0 0 54 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.891 111.7 51.5 -60.1 -45.3 3.7 -69.8 -9.8 123 128 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.931 111.4 46.4 -56.3 -48.5 1.6 -73.0 -10.2 124 129 A R H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.898 111.5 51.9 -64.9 -40.0 1.8 -72.9 -13.9 125 130 A S H X S+ 0 0 47 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.932 110.9 47.2 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