==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-MAY-10 3MUF . COMPND 2 MOLECULE: SHIKIMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR W.C.CHENG,T.J.CHEN,S.C.LIN,W.C.WANG . 160 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 1 1 0 1 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 Q 0 0 142 0, 0.0 90,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 113.7 26.2 13.2 11.9 2 3 A H E -a 91 0A 4 88,-1.3 90,-2.0 70,-0.2 2,-0.6 -0.398 360.0-101.7-105.1-178.9 26.5 14.1 8.3 3 4 A L E -ab 92 74A 28 70,-2.5 72,-3.0 88,-0.2 2,-0.6 -0.948 42.5-170.2-108.3 114.4 29.3 15.0 6.0 4 5 A V E -ab 93 75A 0 88,-1.9 90,-2.7 -2,-0.6 2,-0.4 -0.926 12.2-152.6-117.3 113.7 29.2 18.7 5.6 5 6 A L E -a 94 0A 0 70,-2.3 72,-0.5 -2,-0.6 2,-0.3 -0.742 18.2-179.6 -81.9 136.3 31.3 20.6 3.0 6 7 A I E +a 95 0A 0 88,-2.1 90,-2.7 -2,-0.4 2,-0.3 -0.961 16.9 126.9-142.9 150.3 32.2 24.3 3.9 7 8 A G - 0 0 0 -2,-0.3 74,-0.2 88,-0.2 3,-0.2 -0.887 55.7 -83.5 158.8 147.3 34.2 26.8 1.9 8 9 A F S > S- 0 0 4 88,-0.3 3,-1.7 -2,-0.3 88,-0.1 -0.123 75.0 -54.3 -72.0 169.2 34.1 30.3 0.5 9 10 A M T 3 S+ 0 0 20 1,-0.2 -1,-0.2 2,-0.1 98,-0.1 -0.283 125.8 16.1 -47.0 123.2 32.3 31.0 -2.9 10 11 A G T 3 S+ 0 0 11 -3,-0.2 -1,-0.2 96,-0.0 96,-0.1 0.524 79.5 128.7 101.1 8.7 33.5 28.9 -5.7 11 12 A S S < S- 0 0 9 -3,-1.7 -2,-0.1 1,-0.1 -3,-0.1 0.459 78.7-111.3 -79.0 1.5 35.3 26.3 -3.7 12 13 A G S > S+ 0 0 39 91,-0.1 4,-1.8 -5,-0.1 5,-0.2 0.791 70.1 139.8 84.2 29.6 33.5 23.5 -5.5 13 14 A K H > + 0 0 22 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.990 63.6 57.4 -66.1 -59.8 31.3 22.2 -2.7 14 15 A S H > S+ 0 0 68 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.862 115.0 36.2 -45.6 -49.4 28.1 21.6 -4.7 15 16 A S H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.926 115.0 53.1 -79.2 -39.3 29.7 19.2 -7.2 16 17 A L H X S+ 0 0 3 -4,-1.8 4,-3.5 1,-0.2 5,-0.2 0.954 107.9 53.2 -45.0 -52.1 32.1 17.5 -4.8 17 18 A A H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.3 -1,-0.2 0.835 108.2 50.4 -62.9 -32.1 29.2 16.7 -2.5 18 19 A Q H X S+ 0 0 111 -4,-1.2 4,-1.7 -5,-0.3 -1,-0.3 0.885 112.5 45.9 -71.6 -43.3 27.3 15.2 -5.4 19 20 A E H X S+ 0 0 77 -4,-2.3 4,-2.4 -3,-0.2 -2,-0.2 0.960 112.6 52.3 -63.2 -46.4 30.3 13.0 -6.3 20 21 A L H X S+ 0 0 1 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.853 108.4 49.5 -57.0 -40.6 30.8 12.1 -2.6 21 22 A G H <>S+ 0 0 2 -4,-2.1 5,-2.2 -5,-0.2 4,-0.5 0.878 110.2 50.9 -72.0 -37.4 27.1 11.0 -2.2 22 23 A L H ><5S+ 0 0 127 -4,-1.7 3,-0.9 3,-0.2 -2,-0.2 0.946 111.3 47.2 -60.1 -52.2 27.3 8.8 -5.3 23 24 A A H 3<5S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 123.1 34.6 -58.4 -36.6 30.5 7.1 -4.1 24 25 A L T 3<5S- 0 0 68 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.366 106.2-122.5-101.8 5.8 29.1 6.5 -0.6 25 26 A K T < 5 + 0 0 184 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.944 65.2 137.6 43.4 54.1 25.4 5.9 -1.6 26 27 A L < - 0 0 46 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.880 59.6 -99.6-119.8 156.6 24.2 8.8 0.6 27 28 A E - 0 0 133 45,-0.5 47,-3.3 -2,-0.3 2,-0.4 -0.635 34.1-141.0 -77.4 134.7 21.6 11.5 -0.1 28 29 A V E -c 74 0A 49 -2,-0.3 2,-0.3 45,-0.2 47,-0.2 -0.831 19.0-177.1 -98.3 131.0 23.0 14.9 -1.1 29 30 A L E -c 75 0A 41 45,-2.7 47,-2.9 -2,-0.4 2,-0.4 -0.922 12.2-158.4-121.0 151.0 21.5 18.2 0.2 30 31 A D E > -c 76 0A 26 -2,-0.3 4,-1.8 45,-0.2 3,-0.5 -0.958 10.2-150.9-131.3 109.1 22.5 21.8 -0.8 31 32 A T H > S+ 0 0 5 45,-2.6 4,-1.9 -2,-0.4 5,-0.3 0.858 97.5 49.0 -49.5 -44.8 21.5 24.4 1.8 32 33 A D H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.887 111.2 52.0 -57.9 -40.6 21.2 27.2 -0.8 33 34 A M H > S+ 0 0 119 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.859 108.8 50.0 -65.1 -38.1 19.1 24.9 -3.0 34 35 A I H X S+ 0 0 32 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.931 115.8 39.7 -72.3 -45.0 16.7 24.1 -0.2 35 36 A I H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 5,-0.4 0.921 112.7 56.5 -69.0 -46.6 16.0 27.7 0.8 36 37 A S H X>S+ 0 0 35 -4,-2.6 4,-1.8 -5,-0.3 5,-1.3 0.961 111.6 43.3 -48.3 -52.9 15.9 28.9 -2.7 37 38 A E H <5S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.861 111.9 50.6 -70.5 -39.2 13.2 26.4 -3.5 38 39 A R H <5S+ 0 0 137 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.889 118.9 39.0 -59.0 -43.0 11.0 26.9 -0.3 39 40 A V H <5S- 0 0 44 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.696 104.1-133.9 -84.3 -20.4 11.0 30.7 -0.9 40 41 A G T <5S+ 0 0 60 -4,-1.8 2,-0.3 -5,-0.4 -3,-0.2 0.767 70.5 103.2 69.8 24.1 10.7 30.3 -4.7 41 42 A L S - 0 0 49 -2,-0.3 4,-2.7 1,-0.1 5,-0.1 -0.365 40.9-104.2 -70.9 161.6 17.0 32.6 -6.3 43 44 A V H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.903 125.3 52.4 -56.8 -38.7 19.6 33.5 -3.6 44 45 A R H > S+ 0 0 95 70,-0.2 4,-3.0 2,-0.2 5,-0.2 0.987 109.1 47.0 -56.7 -62.8 20.2 36.8 -5.4 45 46 A E H >>S+ 0 0 84 1,-0.2 4,-3.4 2,-0.2 5,-0.6 0.845 109.9 55.9 -47.9 -37.5 16.4 37.6 -5.5 46 47 A I H X>S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-1.1 0.987 110.9 42.7 -60.7 -53.9 16.3 36.7 -1.8 47 48 A F H X5S+ 0 0 30 -4,-2.6 4,-1.4 3,-0.2 -2,-0.2 0.969 120.2 43.8 -50.5 -60.3 19.0 39.2 -1.0 48 49 A E H <5S+ 0 0 120 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.878 127.3 26.5 -50.5 -51.4 17.4 41.8 -3.4 49 50 A E H <5S+ 0 0 140 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.882 136.6 21.5 -87.7 -41.4 13.7 41.3 -2.3 50 51 A L H <X< - 0 0 31 -4,-1.4 4,-1.6 -5,-1.1 3,-1.3 0.471 25.6 -86.4 80.1 145.7 17.3 41.2 2.5 52 53 A E H 3> S+ 0 0 64 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.774 120.3 63.6 -55.3 -35.6 20.3 39.2 3.7 53 54 A D H 3> S+ 0 0 138 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.867 104.6 47.6 -62.0 -36.2 19.2 39.0 7.3 54 55 A N H <> S+ 0 0 76 -3,-1.3 4,-2.4 -4,-0.4 -1,-0.2 0.951 110.4 50.3 -69.7 -46.8 16.2 37.0 6.3 55 56 A F H X S+ 0 0 4 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.962 110.4 52.5 -49.1 -52.3 18.3 34.7 4.2 56 57 A R H X S+ 0 0 25 -4,-3.4 4,-2.9 1,-0.2 -1,-0.2 0.860 107.4 51.0 -51.3 -39.4 20.6 34.4 7.3 57 58 A M H X S+ 0 0 80 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.903 110.0 49.6 -67.4 -38.7 17.5 33.4 9.3 58 59 A F H X S+ 0 0 62 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.968 113.8 45.8 -60.7 -55.9 16.6 30.8 6.8 59 60 A E H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.945 112.4 50.3 -48.0 -58.1 20.2 29.4 6.8 60 61 A K H X S+ 0 0 94 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.894 113.9 46.0 -51.6 -43.4 20.3 29.5 10.6 61 62 A N H X S+ 0 0 81 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.877 106.4 56.0 -72.3 -39.8 17.0 27.6 10.9 62 63 A L H X S+ 0 0 4 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.860 103.1 59.2 -57.4 -36.5 17.9 24.9 8.3 63 64 A I H X S+ 0 0 5 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.984 108.1 42.8 -53.1 -60.9 20.9 24.1 10.4 64 65 A D H < S+ 0 0 73 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.794 115.3 52.2 -51.7 -37.4 18.8 23.3 13.4 65 66 A E H >< S+ 0 0 84 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.935 105.2 51.9 -69.2 -51.9 16.4 21.4 11.1 66 67 A L H >< S+ 0 0 6 -4,-3.1 3,-1.6 1,-0.3 -1,-0.2 0.746 97.3 69.1 -60.0 -24.8 19.0 19.2 9.5 67 68 A K T 3< S+ 0 0 81 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.743 94.1 58.0 -62.8 -22.7 20.2 18.2 13.0 68 69 A T T < S+ 0 0 117 -3,-1.9 2,-0.4 -4,-0.3 -1,-0.3 0.242 81.8 116.2 -92.4 9.6 16.9 16.3 13.4 69 70 A L < - 0 0 48 -3,-1.6 4,-0.1 1,-0.1 -3,-0.0 -0.693 52.7-158.5 -79.9 138.3 17.7 14.2 10.3 70 71 A K + 0 0 153 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.929 68.9 64.1 -76.3 -59.9 18.1 10.5 10.9 71 72 A T S S- 0 0 70 1,-0.1 2,-0.1 -69,-0.0 -45,-0.0 -0.530 93.2-106.9 -75.1 132.9 20.1 9.2 8.0 72 73 A P - 0 0 63 0, 0.0 -45,-0.5 0, 0.0 2,-0.3 -0.431 48.6-171.7 -45.6 131.2 23.7 10.5 7.6 73 74 A H - 0 0 13 -47,-0.1 -70,-2.5 -4,-0.1 2,-0.5 -0.856 28.2-118.2-126.3 161.4 23.5 12.9 4.5 74 75 A V E -bc 3 28A 0 -47,-3.3 -45,-2.7 -2,-0.3 2,-0.5 -0.927 36.4-165.3 -99.7 133.7 26.0 14.7 2.4 75 76 A I E -bc 4 29A 0 -72,-3.0 -70,-2.3 -2,-0.5 2,-0.3 -0.977 12.5-159.2-132.2 121.6 25.4 18.4 2.8 76 77 A S E - c 0 30A 2 -47,-2.9 -45,-2.6 -2,-0.5 2,-0.3 -0.705 21.0-151.1 -99.0 148.8 26.8 21.2 0.7 77 78 A T - 0 0 5 -72,-0.5 -63,-0.2 -2,-0.3 2,-0.1 -0.878 13.0-112.2-132.2 144.4 26.8 24.6 2.2 78 79 A G > - 0 0 1 -2,-0.3 3,-2.5 1,-0.1 -71,-0.2 -0.487 42.1-103.2 -74.9 155.9 26.6 28.3 1.2 79 80 A G T 3 S+ 0 0 13 1,-0.3 3,-0.5 -2,-0.1 -72,-0.2 0.734 117.3 46.9 -38.3 -39.3 29.6 30.4 1.6 80 81 A G T > S+ 0 0 2 1,-0.2 3,-1.9 2,-0.1 -1,-0.3 0.262 73.0 109.1-106.1 8.8 28.4 32.2 4.7 81 82 A I G X + 0 0 3 -3,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.567 68.2 68.8 -65.8 -15.1 27.2 29.2 6.6 82 83 A V G 3 S+ 0 0 3 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.467 80.5 74.2 -84.7 -7.9 30.1 29.6 9.1 83 84 A M G < S+ 0 0 82 -3,-1.9 2,-0.6 4,-0.0 -1,-0.2 0.658 77.4 97.2 -74.1 -20.4 28.8 32.8 10.6 84 85 A H X - 0 0 21 -3,-0.6 3,-2.2 -4,-0.3 4,-0.4 -0.633 65.0-153.5 -84.4 114.6 26.1 30.7 12.4 85 86 A E G > S+ 0 0 171 -2,-0.6 3,-1.2 1,-0.3 -1,-0.1 0.871 93.9 59.7 -43.6 -46.6 26.9 29.8 16.1 86 87 A N G 3 S+ 0 0 28 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.368 74.4 91.5 -74.2 -1.1 24.7 26.7 15.8 87 88 A L G X + 0 0 5 -3,-2.2 3,-1.5 -6,-0.1 -1,-0.3 0.885 64.7 101.0 -56.8 -37.7 26.7 25.1 12.9 88 89 A K T < S+ 0 0 135 -3,-1.2 50,-0.0 -4,-0.4 -3,-0.0 -0.284 84.0 22.3 -53.8 120.6 28.7 23.3 15.7 89 90 A G T 3 S+ 0 0 45 2,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.540 88.5 108.2 103.8 12.4 27.4 19.7 16.0 90 91 A L S < S- 0 0 8 -3,-1.5 -88,-1.3 1,-0.3 2,-0.3 0.790 87.2 -47.2 -87.3 -36.5 25.9 19.2 12.6 91 92 A G E S-a 2 0A 9 -90,-0.3 2,-0.6 -4,-0.3 -1,-0.3 -0.962 72.4 -60.3 177.6 168.9 28.4 16.8 11.0 92 93 A T E -a 3 0A 48 -90,-2.0 -88,-1.9 -2,-0.3 2,-0.4 -0.699 64.3-143.5 -72.2 122.2 32.0 16.1 10.4 93 94 A T E -a 4 0A 8 -2,-0.6 47,-2.1 -90,-0.2 48,-1.6 -0.752 15.1-159.1-106.7 135.9 32.9 19.2 8.4 94 95 A F E -ad 5 141A 2 -90,-2.7 -88,-2.1 -2,-0.4 2,-0.7 -0.933 10.6-147.0-120.0 118.0 35.3 19.4 5.5 95 96 A Y E -ad 6 142A 6 46,-2.4 48,-2.9 -2,-0.6 2,-2.0 -0.701 3.6-150.3 -93.8 114.3 36.8 22.7 4.5 96 97 A L E - d 0 143A 2 -90,-2.7 -88,-0.3 -2,-0.7 48,-0.1 -0.460 26.3-162.8 -81.5 70.9 37.6 23.2 0.9 97 98 A K E + d 0 144A 74 -2,-2.0 48,-1.8 46,-1.2 49,-0.3 -0.318 23.9 145.5 -61.8 124.7 40.6 25.6 1.3 98 99 A M - 0 0 16 47,-0.1 2,-0.3 46,-0.1 -90,-0.1 -0.847 46.1-100.9-143.3-179.7 41.7 27.7 -1.6 99 100 A D > - 0 0 68 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.792 36.0-106.9-110.0 154.5 43.1 31.2 -2.0 100 101 A F H > S+ 0 0 16 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.804 115.3 46.9 -51.1 -37.1 41.1 34.2 -3.1 101 102 A E H > S+ 0 0 107 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.884 112.8 45.7 -82.4 -40.5 42.5 34.4 -6.6 102 103 A T H > S+ 0 0 12 -3,-0.4 4,-1.5 2,-0.2 3,-0.5 0.994 114.1 51.8 -62.7 -57.9 42.2 30.8 -7.6 103 104 A L H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.810 114.3 42.4 -33.6 -54.3 38.6 30.8 -6.1 104 105 A I H >< S+ 0 0 16 -4,-1.9 3,-1.7 -5,-0.3 -1,-0.2 0.838 104.2 65.4 -70.5 -36.7 37.6 33.8 -8.2 105 106 A K H 3< S+ 0 0 150 -4,-1.9 -2,-0.2 -3,-0.5 -1,-0.2 0.892 99.6 52.2 -59.9 -42.3 39.4 32.7 -11.4 106 107 A R T 3< S+ 0 0 123 -4,-1.5 2,-0.6 -96,-0.1 -1,-0.3 0.130 86.9 89.5 -86.4 18.0 37.0 29.7 -11.8 107 108 A L S < S- 0 0 10 -3,-1.7 5,-0.1 -98,-0.1 -98,-0.0 -0.961 70.6-145.8-111.3 114.5 33.7 31.5 -11.6 108 109 A N > - 0 0 97 -2,-0.6 4,-1.8 1,-0.1 5,-0.2 -0.067 32.6 -93.9 -64.2 178.5 32.6 32.7 -15.0 109 110 A Q H >> S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 3,-0.7 0.981 123.9 46.9 -65.6 -60.9 30.7 36.0 -15.2 110 111 A K H 3> S+ 0 0 163 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.875 113.4 54.3 -38.5 -46.5 27.1 34.8 -15.1 111 112 A E H 34 S+ 0 0 66 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.834 105.9 48.9 -66.9 -38.8 28.2 32.6 -12.1 112 113 A R H X< S+ 0 0 51 -4,-1.8 3,-1.4 -3,-0.7 6,-0.3 0.822 104.7 61.7 -64.0 -32.3 29.7 35.5 -10.1 113 114 A E H 3< S+ 0 0 83 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.682 92.0 64.5 -76.0 -15.7 26.4 37.4 -10.7 114 115 A K T 3< S+ 0 0 124 -4,-0.6 -1,-0.3 -3,-0.5 -70,-0.2 0.623 94.5 70.7 -72.7 -15.9 24.5 34.7 -8.8 115 116 A R X - 0 0 63 -3,-1.4 3,-1.7 -4,-0.2 -1,-0.1 -0.900 64.9-165.8-112.7 102.6 26.4 35.7 -5.7 116 117 A P G > S+ 0 0 20 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.858 87.3 63.4 -54.9 -38.7 25.4 39.1 -4.2 117 118 A L G 3 S+ 0 0 57 1,-0.3 10,-0.1 2,-0.1 -5,-0.0 0.191 95.6 62.0 -80.4 19.0 28.5 39.2 -2.0 118 119 A L G < S+ 0 0 10 -3,-1.7 -1,-0.3 -6,-0.3 3,-0.2 0.090 72.5 99.6-116.2 16.2 30.7 39.3 -5.1 119 120 A N S < S+ 0 0 126 -3,-1.8 2,-0.6 1,-0.3 -2,-0.1 0.905 90.7 34.3 -72.2 -41.5 29.2 42.6 -6.4 120 121 A N S > S- 0 0 72 -4,-0.2 4,-2.5 1,-0.1 -1,-0.3 -0.960 74.2-161.4-110.8 115.7 32.2 44.5 -5.1 121 122 A L H > S+ 0 0 73 -2,-0.6 4,-2.2 2,-0.2 -1,-0.1 0.778 89.3 55.7 -68.0 -31.1 35.4 42.5 -5.4 122 123 A T H > S+ 0 0 105 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.854 112.9 44.3 -65.7 -37.0 37.5 44.6 -2.9 123 124 A Q H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.896 109.7 55.1 -72.2 -41.5 34.7 43.8 -0.4 124 125 A A H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.869 107.0 53.5 -57.1 -39.2 34.7 40.2 -1.5 125 126 A K H X S+ 0 0 89 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 108.0 46.3 -66.2 -42.0 38.3 40.1 -0.7 126 127 A E H X S+ 0 0 119 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.874 110.8 55.0 -67.7 -32.5 37.9 41.5 2.9 127 128 A L H X S+ 0 0 37 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.959 107.8 48.6 -62.0 -52.4 35.1 39.0 3.4 128 129 A F H X S+ 0 0 10 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.941 111.0 51.4 -44.5 -52.2 37.4 36.1 2.4 129 130 A E H < S+ 0 0 96 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.856 116.1 40.5 -60.1 -38.1 40.0 37.5 4.8 130 131 A K H < S+ 0 0 154 -4,-2.2 3,-0.5 1,-0.2 4,-0.5 0.830 111.4 54.8 -77.9 -38.3 37.5 37.6 7.6 131 132 A R H >X S+ 0 0 10 -4,-3.4 4,-1.8 1,-0.2 3,-1.8 0.838 87.5 83.7 -68.2 -27.9 35.8 34.3 6.9 132 133 A Q H 3X S+ 0 0 63 -4,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.823 91.4 46.0 -42.0 -52.7 39.2 32.4 6.9 133 134 A A H 3> S+ 0 0 65 -3,-0.5 4,-2.2 -4,-0.4 -1,-0.3 0.730 109.1 56.8 -68.9 -23.0 39.2 31.9 10.7 134 135 A L H <> S+ 0 0 41 -3,-1.8 4,-0.7 -4,-0.5 -1,-0.2 0.892 108.5 45.1 -78.7 -39.3 35.6 30.9 10.7 135 136 A Y H >X S+ 0 0 3 -4,-1.8 3,-1.1 2,-0.2 4,-0.7 0.947 113.4 52.1 -55.8 -52.6 36.2 28.0 8.3 136 137 A E H >< S+ 0 0 81 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.926 111.5 45.0 -57.9 -44.0 39.3 27.0 10.3 137 138 A K H 3< S+ 0 0 128 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.644 116.3 45.4 -79.4 -10.2 37.5 26.9 13.6 138 139 A N H << S+ 0 0 8 -3,-1.1 2,-0.4 -4,-0.7 -1,-0.3 0.294 93.0 106.4-105.8 -0.2 34.4 25.0 12.2 139 140 A A << - 0 0 25 -3,-1.1 -45,-0.2 -4,-0.7 3,-0.1 -0.721 44.4-175.7 -90.4 128.8 36.6 22.5 10.3 140 141 A S S S+ 0 0 63 -47,-2.1 2,-0.3 -2,-0.4 -46,-0.2 0.768 86.5 9.8 -79.4 -35.4 37.0 18.9 11.3 141 142 A F E S-d 94 0A 66 -48,-1.6 -46,-2.4 2,-0.0 2,-0.5 -0.996 72.8-136.2-149.8 139.6 39.5 18.4 8.4 142 143 A I E -d 95 0A 84 -2,-0.3 2,-0.5 -48,-0.2 -46,-0.1 -0.868 20.3-160.5-103.9 132.2 41.1 20.9 6.1 143 144 A I E -d 96 0A 0 -48,-2.9 2,-1.5 -2,-0.5 -46,-1.2 -0.931 21.9-129.3-120.2 130.0 41.3 19.9 2.4 144 145 A D E > -d 97 0A 59 -2,-0.5 3,-0.7 1,-0.2 -46,-0.1 -0.579 29.2-179.5 -72.5 92.5 43.5 21.4 -0.2 145 146 A A T 3 + 0 0 6 -48,-1.8 -1,-0.2 -2,-1.5 -47,-0.1 0.370 51.0 102.0 -79.2 8.1 40.9 22.2 -2.8 146 147 A R T 3 S+ 0 0 140 -49,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.790 72.0 53.7 -65.1 -35.6 43.4 23.6 -5.3 147 148 A G S < S- 0 0 36 -3,-0.7 5,-0.0 1,-0.2 0, 0.0 0.284 105.0 -52.2 -80.8-151.6 43.7 20.7 -7.7 148 149 A G > - 0 0 51 1,-0.1 4,-1.0 4,-0.0 -1,-0.2 -0.096 59.1 -93.5 -73.6-176.7 40.8 18.9 -9.6 149 150 A L H > S+ 0 0 66 2,-0.2 4,-3.5 1,-0.2 3,-0.4 0.907 123.7 53.7 -63.6 -46.6 37.6 17.4 -8.0 150 151 A N H > S+ 0 0 120 1,-0.3 4,-4.0 2,-0.2 5,-0.2 0.920 105.0 55.0 -55.4 -46.9 39.1 13.9 -7.7 151 152 A N H > S+ 0 0 68 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.830 112.6 41.9 -61.7 -28.7 42.0 15.3 -5.8 152 153 A S H X S+ 0 0 10 -4,-1.0 4,-2.2 -3,-0.4 -2,-0.2 0.899 114.4 52.5 -81.4 -36.7 39.6 16.9 -3.4 153 154 A L H X S+ 0 0 21 -4,-3.5 4,-2.7 1,-0.2 5,-0.2 0.949 107.1 52.7 -56.6 -52.6 37.5 13.8 -3.3 154 155 A K H X S+ 0 0 120 -4,-4.0 4,-2.4 1,-0.2 -1,-0.2 0.905 109.2 48.9 -49.3 -49.4 40.6 11.6 -2.5 155 156 A Q H X S+ 0 0 34 -4,-1.2 4,-0.7 -5,-0.2 -1,-0.2 0.926 111.7 49.1 -64.6 -41.5 41.4 13.8 0.4 156 157 A V H >< S+ 0 0 1 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.947 109.9 49.7 -62.1 -50.6 37.9 13.7 1.8 157 158 A L H >< S+ 0 0 66 -4,-2.7 3,-3.3 1,-0.3 -1,-0.2 0.915 99.3 67.1 -55.3 -44.2 37.5 9.9 1.6 158 159 A Q H 3< S+ 0 0 130 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.795 97.6 54.9 -47.5 -30.7 40.9 9.4 3.3 159 160 A F T << 0 0 84 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.061 360.0 360.0 -93.6 27.3 39.1 10.9 6.4 160 161 A I < 0 0 173 -3,-3.3 -1,-0.3 0, 0.0 -2,-0.0 -0.241 360.0 360.0 55.9 360.0 36.3 8.2 6.2