==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JUL-04 1U2X . COMPND 2 MOLECULE: ADP-SPECIFIC PHOSPHOFRUCTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR A.H.Y.WONG,Z.JIA,T.SKARINA,J.R.WALKER,C.ARROWSMITH,A.JOACHIM . 900 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 9.1 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 61 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 2 1 2 0 2 2 5 5 0 0 4 2 0 2 1 1 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 4 6 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 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 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 23 A X 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -62.9 -24.6 23.5 25.9 2 24 A I - 0 0 34 1,-0.1 2,-2.5 2,-0.0 3,-0.2 -0.657 360.0-131.2 -71.5 126.0 -21.6 23.8 28.2 3 25 A P > + 0 0 4 0, 0.0 3,-1.6 0, 0.0 108,-0.2 -0.399 39.7 167.9 -78.6 78.3 -22.8 25.3 31.4 4 26 A E T 3 + 0 0 103 -2,-2.5 107,-1.7 1,-0.3 108,-0.1 0.629 62.1 69.5 -71.2 -18.5 -20.1 27.9 31.4 5 27 A H T 3 S+ 0 0 58 105,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.539 80.3 98.9 -77.6 -6.8 -21.7 30.1 34.2 6 28 A L < - 0 0 0 -3,-1.6 106,-1.2 105,-0.1 105,-0.8 -0.409 58.2-152.7 -86.5 151.3 -21.1 27.4 37.0 7 29 A S E -a 112 0A 4 104,-0.2 209,-2.9 103,-0.1 210,-1.4 -0.999 13.4-170.8-126.7 132.8 -18.2 27.5 39.5 8 30 A I E -ab 113 217A 1 104,-2.2 106,-2.2 -2,-0.4 2,-0.4 -0.961 14.4-155.5-131.7 139.2 -16.8 24.3 41.0 9 31 A Y E -ab 114 218A 1 208,-1.8 210,-2.6 -2,-0.4 2,-0.4 -0.914 17.2-168.5-108.0 137.6 -14.2 23.5 43.8 10 32 A T E -ab 115 219A 0 104,-2.2 106,-2.0 -2,-0.4 2,-0.3 -0.986 12.4-158.6-126.9 141.8 -12.4 20.1 43.7 11 33 A A E +ab 116 220A 0 208,-2.1 210,-1.7 -2,-0.4 106,-0.2 -0.931 31.1 3.0-153.9 163.0 -10.3 18.5 46.4 12 34 A Y S S+ 0 0 6 104,-0.6 2,-0.6 208,-0.3 210,-0.2 -0.997 84.2 63.6-127.7 -7.1 -8.2 16.7 47.7 13 35 A N + 0 0 17 208,-0.4 86,-1.5 104,-0.1 85,-0.9 -0.766 44.5 144.0-101.3 117.6 -6.0 14.4 45.6 14 36 A A + 0 0 8 -2,-0.6 2,-0.3 84,-0.2 82,-0.3 -0.978 15.6 151.5-144.3 141.0 -3.5 15.7 43.1 15 37 A N E -J 95 0B 7 80,-2.3 80,-2.6 -2,-0.3 2,-0.5 -0.945 43.9 -93.9-159.8 169.2 -0.2 14.1 42.3 16 38 A I E -Jk 94 159B 0 142,-2.4 144,-2.7 -2,-0.3 2,-0.5 -0.863 25.1-159.6 -96.8 133.8 2.4 13.7 39.5 17 39 A D E -Jk 93 160B 23 76,-3.1 76,-2.6 -2,-0.5 2,-0.4 -0.969 17.5-169.4-110.9 122.7 2.3 10.7 37.3 18 40 A A E -Jk 92 161B 0 142,-3.2 144,-3.9 -2,-0.5 2,-0.5 -0.929 8.5-151.5-123.7 135.1 5.8 10.2 35.7 19 41 A I E -Jk 91 162B 10 72,-2.6 71,-2.3 -2,-0.4 72,-1.1 -0.918 8.0-170.4-114.8 130.5 6.7 7.8 32.9 20 42 A V E - k 0 163B 2 142,-2.8 144,-3.1 -2,-0.5 2,-0.7 -0.975 16.8-140.8-116.8 129.7 10.1 6.2 32.3 21 43 A K E - k 0 164B 69 -2,-0.4 2,-1.5 67,-0.3 144,-0.2 -0.840 13.2-147.9 -90.6 111.3 11.0 4.3 29.1 22 44 A L + 0 0 5 142,-2.8 144,-0.4 -2,-0.7 2,-0.1 -0.627 32.5 161.0 -73.4 79.9 13.2 1.3 30.0 23 45 A N > - 0 0 79 -2,-1.5 4,-2.2 142,-0.1 5,-0.2 -0.235 55.5 -87.1 -82.7-173.9 15.4 0.9 27.0 24 46 A Q H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.907 124.5 48.3 -65.4 -47.1 18.8 -1.1 27.1 25 47 A E H > S+ 0 0 151 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.954 114.5 47.8 -62.8 -48.1 21.1 1.6 28.3 26 48 A T H > S+ 0 0 43 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.906 115.5 42.1 -58.2 -48.6 18.7 2.7 31.1 27 49 A I H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.937 117.2 47.0 -70.8 -41.1 18.0 -0.9 32.5 28 50 A Q H X S+ 0 0 32 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.936 110.4 51.8 -66.4 -42.7 21.7 -2.0 32.2 29 51 A N H X S+ 0 0 103 -4,-2.6 4,-0.7 -5,-0.3 -1,-0.2 0.876 112.1 48.2 -60.7 -40.0 23.0 1.1 33.9 30 52 A L H >< S+ 0 0 8 -4,-1.6 3,-0.7 -5,-0.2 4,-0.4 0.925 113.6 44.6 -64.4 -48.1 20.6 0.5 36.7 31 53 A I H >< S+ 0 0 5 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.914 104.7 64.7 -64.7 -37.6 21.5 -3.1 37.2 32 54 A N H 3< S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.768 90.8 66.3 -56.6 -28.0 25.2 -2.4 36.9 33 55 A A T << S+ 0 0 81 -4,-0.7 -1,-0.3 -3,-0.7 2,-0.3 0.807 98.4 64.4 -69.9 -23.1 25.0 -0.4 40.1 34 56 A F S < S- 0 0 42 -3,-2.2 3,-0.0 -4,-0.4 0, 0.0 -0.655 89.9-104.2-105.7 155.7 24.2 -3.4 42.1 35 57 A D > - 0 0 88 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.610 33.4-137.9 -67.7 117.1 25.9 -6.7 43.1 36 58 A P H > S+ 0 0 44 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.830 101.6 43.3 -46.9 -50.2 24.3 -9.4 40.9 37 59 A D H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.757 110.9 57.0 -69.8 -29.4 23.9 -12.1 43.7 38 60 A E H > S+ 0 0 98 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.940 110.1 45.4 -60.2 -44.1 22.7 -9.3 46.1 39 61 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.963 113.3 48.9 -62.4 -53.4 19.9 -8.7 43.5 40 62 A K H X S+ 0 0 69 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.869 110.0 51.9 -50.6 -46.6 19.2 -12.5 43.0 41 63 A R H X S+ 0 0 147 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.944 109.4 50.2 -60.5 -42.9 18.9 -13.0 46.7 42 64 A R H X S+ 0 0 57 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.828 106.4 55.7 -70.1 -28.8 16.5 -10.1 47.0 43 65 A I H >< S+ 0 0 35 -4,-2.0 3,-1.0 2,-0.2 -1,-0.2 0.943 107.6 46.6 -66.3 -45.5 14.3 -11.4 44.2 44 66 A E H 3< S+ 0 0 167 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.934 109.6 54.0 -69.0 -40.5 13.7 -14.8 45.9 45 67 A E H 3< S- 0 0 110 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.625 103.7-147.5 -68.5 -11.7 13.0 -13.1 49.2 46 68 A Y << - 0 0 102 -3,-1.0 -3,-0.1 -4,-0.7 2,-0.1 0.894 3.1-140.9 55.9 77.4 10.3 -11.0 47.3 47 69 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.410 10.8-166.1 -74.1 133.9 9.8 -7.5 48.6 48 70 A R S S+ 0 0 150 -2,-0.1 2,-0.3 1,-0.1 -2,-0.0 0.428 75.1 31.1-105.2 -4.4 6.1 -6.4 48.6 49 71 A E S S- 0 0 72 23,-0.1 2,-0.7 26,-0.0 25,-0.2 -0.967 84.3-113.7-143.4 158.6 6.9 -2.7 49.1 50 72 A I B +l 74 0B 0 23,-3.2 25,-2.0 -2,-0.3 26,-0.5 -0.837 48.0 144.9 -99.3 105.9 9.8 -0.5 48.1 51 73 A N S S+ 0 0 62 -2,-0.7 -1,-0.2 1,-0.2 28,-0.1 0.731 72.2 21.7 -99.9 -36.7 11.9 0.8 51.1 52 74 A E S >> S- 0 0 107 1,-0.0 4,-1.3 27,-0.0 3,-0.7 -0.858 84.8-102.8-133.8 161.1 15.4 0.8 49.4 53 75 A P H 3> S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.819 118.0 58.9 -56.4 -32.7 16.8 0.9 45.9 54 76 A I H 3> S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 100.4 56.8 -71.2 -34.3 17.5 -2.8 45.9 55 77 A D H <> S+ 0 0 8 -3,-0.7 4,-2.7 1,-0.2 5,-0.2 0.932 108.8 48.9 -52.5 -46.6 13.8 -3.6 46.6 56 78 A F H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.923 112.3 43.4 -61.0 -53.9 13.0 -1.6 43.4 57 79 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.956 115.3 51.8 -61.1 -44.3 15.6 -3.3 41.0 58 80 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.949 113.8 41.2 -54.7 -59.0 14.7 -6.7 42.4 59 81 A R H X S+ 0 0 22 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.903 117.2 50.1 -58.6 -42.0 10.9 -6.3 41.9 60 82 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.924 111.4 44.7 -59.6 -54.1 11.5 -4.7 38.6 61 83 A V H X S+ 0 0 4 -4,-3.1 4,-1.9 2,-0.2 5,-0.2 0.853 111.4 53.9 -70.0 -36.2 13.8 -7.3 37.0 62 84 A H H X S+ 0 0 38 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.921 113.7 44.5 -51.6 -48.0 11.6 -10.1 38.3 63 85 A T H X>S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 5,-0.8 0.802 110.5 54.8 -63.4 -32.1 8.8 -8.3 36.5 64 86 A L H <5S+ 0 0 1 -4,-1.9 118,-0.2 2,-0.2 -2,-0.2 0.882 110.4 43.8 -74.6 -36.7 10.9 -7.7 33.4 65 87 A K H <5S+ 0 0 93 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.841 116.1 45.7 -80.9 -39.7 11.8 -11.4 32.8 66 88 A L H <5S- 0 0 76 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.847 101.6-143.2 -63.1 -37.7 8.3 -12.8 33.5 67 89 A G T <5 + 0 0 1 -4,-1.6 -3,-0.2 1,-0.3 -4,-0.1 0.699 55.0 130.0 79.0 22.1 7.2 -9.9 31.2 68 90 A K < - 0 0 98 -5,-0.8 -1,-0.3 116,-0.1 -2,-0.1 -0.911 60.6-110.7-114.2 128.3 4.0 -9.4 33.4 69 91 A P + 0 0 83 0, 0.0 2,-0.3 0, 0.0 117,-0.2 -0.046 37.4 179.8 -55.7 159.4 2.9 -6.0 34.7 70 92 A A E - m 0 186B 21 115,-1.7 117,-2.5 2,-0.0 2,-0.4 -0.968 23.1-149.2-158.7 150.9 3.1 -5.1 38.3 71 93 A A E - m 0 187B 70 -2,-0.3 117,-0.2 115,-0.2 91,-0.0 -0.993 20.4-179.0-123.0 133.3 2.3 -2.3 40.8 72 94 A V E - m 0 188B 2 115,-3.1 117,-1.1 -2,-0.4 2,-0.2 -0.998 25.2-118.5-137.7 127.1 4.5 -1.9 43.9 73 95 A P E - m 0 189B 42 0, 0.0 -23,-3.2 0, 0.0 2,-0.6 -0.439 11.6-142.5 -67.4 140.1 4.1 0.7 46.7 74 96 A L E +lm 50 190B 0 115,-3.6 117,-2.3 -25,-0.2 -23,-0.1 -0.898 24.7 172.5 -94.9 122.5 6.8 3.2 47.6 75 97 A V + 0 0 33 -25,-2.0 2,-0.4 -2,-0.6 118,-0.3 0.225 55.0 74.6-124.2 16.3 6.7 3.6 51.3 76 98 A N > - 0 0 40 -26,-0.5 3,-1.7 116,-0.1 4,-0.2 -0.908 60.5-159.3-134.8 105.6 9.7 5.7 51.9 77 99 A E T > S+ 0 0 72 -2,-0.4 3,-2.2 1,-0.3 4,-0.3 0.796 88.1 69.2 -45.8 -39.5 9.6 9.4 51.0 78 100 A K T >> S+ 0 0 147 1,-0.3 4,-0.8 2,-0.2 3,-0.7 0.778 84.2 73.1 -61.8 -22.9 13.4 9.7 50.8 79 101 A X H <> S+ 0 0 5 -3,-1.7 4,-2.8 1,-0.2 -1,-0.3 0.729 75.7 80.4 -60.7 -22.0 13.3 7.5 47.6 80 102 A N H <> S+ 0 0 8 -3,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.935 94.8 45.5 -51.7 -49.5 11.9 10.4 45.6 81 103 A E H <> S+ 0 0 141 -3,-0.7 4,-2.7 -4,-0.3 5,-0.2 0.858 110.4 54.1 -65.2 -35.4 15.3 11.9 45.2 82 104 A W H X S+ 0 0 49 -4,-0.8 4,-3.2 2,-0.2 5,-0.3 0.987 111.7 44.0 -62.7 -53.8 16.9 8.6 44.3 83 105 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.919 114.9 49.0 -51.3 -53.8 14.4 8.0 41.5 84 106 A D H < S+ 0 0 43 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.893 114.8 43.8 -61.5 -37.9 14.7 11.6 40.3 85 107 A K H < S+ 0 0 180 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.902 117.8 45.4 -75.4 -31.5 18.6 11.4 40.3 86 108 A T H < S+ 0 0 59 -4,-3.2 2,-0.3 -5,-0.2 -2,-0.2 0.893 114.6 41.4 -75.9 -43.7 18.7 7.9 38.7 87 109 A F < - 0 0 16 -4,-2.6 2,-0.4 -5,-0.3 -1,-0.0 -0.762 61.6-140.8-112.8 156.3 16.1 8.4 35.8 88 110 A R - 0 0 230 -2,-0.3 2,-0.5 -67,-0.1 -67,-0.3 -0.877 29.8-128.6-102.5 144.9 14.9 10.8 33.2 89 111 A Y - 0 0 37 -2,-0.4 -69,-0.2 1,-0.1 3,-0.1 -0.815 10.0-155.9-103.2 128.0 11.2 11.1 32.6 90 112 A E S S- 0 0 126 -71,-2.3 2,-0.3 -2,-0.5 -70,-0.2 0.896 85.6 -5.1 -54.5 -43.9 9.6 10.8 29.2 91 113 A E E -J 19 0B 91 -72,-1.1 -72,-2.6 -3,-0.1 2,-0.4 -0.992 54.1-157.3-155.7 139.9 6.6 12.7 30.6 92 114 A E E +J 18 0B 61 -2,-0.3 2,-0.3 -74,-0.2 -74,-0.2 -0.999 30.0 169.5-115.1 125.4 5.3 14.2 33.8 93 115 A R E -J 17 0B 52 -76,-2.6 -76,-3.1 -2,-0.4 2,-0.2 -0.930 37.6 -89.2-132.7 164.0 1.5 14.7 33.9 94 116 A L E +J 16 0B 18 33,-0.3 2,-0.2 -2,-0.3 -78,-0.2 -0.501 47.6 166.5 -72.3 133.7 -1.2 15.6 36.4 95 117 A G E +J 15 0B 0 -80,-2.6 -80,-2.3 -2,-0.2 4,-0.2 -0.746 26.6 88.4-136.6-180.0 -2.9 12.8 38.2 96 118 A G S > S- 0 0 14 -82,-0.3 4,-2.5 -2,-0.2 5,-0.3 0.320 79.8 -99.7 93.2 133.1 -5.2 12.4 41.2 97 119 A Q H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.900 122.9 48.4 -50.8 -52.7 -9.0 12.6 40.7 98 120 A A H > S+ 0 0 4 -85,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.884 112.5 49.6 -55.7 -44.8 -9.2 16.3 41.9 99 121 A G H > S+ 0 0 0 -86,-1.5 4,-2.6 -4,-0.2 -2,-0.2 0.932 114.0 44.0 -53.6 -57.2 -6.3 17.3 39.6 100 122 A I H X S+ 0 0 14 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.883 115.8 48.6 -59.0 -41.2 -7.8 15.6 36.5 101 123 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.935 111.7 48.7 -67.9 -45.5 -11.2 17.0 37.3 102 124 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.928 112.9 47.4 -61.0 -44.1 -9.9 20.5 37.8 103 125 A N H X S+ 0 0 25 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.918 111.7 50.5 -66.7 -38.9 -7.9 20.4 34.6 104 126 A T H X S+ 0 0 4 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.944 113.2 45.8 -61.4 -51.6 -11.0 19.0 32.6 105 127 A L H <>S+ 0 0 1 -4,-2.7 5,-1.5 2,-0.2 4,-0.2 0.835 112.4 49.5 -56.6 -42.5 -13.3 21.7 34.0 106 128 A A H ><5S+ 0 0 14 -4,-2.2 3,-0.9 -5,-0.2 -1,-0.2 0.840 107.8 56.2 -69.3 -30.2 -10.7 24.5 33.3 107 129 A G H 3<5S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.829 103.5 53.3 -66.0 -35.3 -10.4 23.1 29.8 108 130 A L T 3<5S- 0 0 1 -4,-1.4 -1,-0.2 269,-0.1 -2,-0.2 0.515 110.3-130.2 -69.8 -11.2 -14.2 23.6 29.4 109 131 A K T < 5 + 0 0 134 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.1 0.863 39.9 175.2 58.8 46.0 -13.7 27.2 30.5 110 132 A I < - 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0 0 49 1,-0.1 4,-2.4 -2,-0.0 5,-0.1 -0.372 28.5-104.5 -76.8 169.3 19.6 15.8 4.1 803 374 B E H > S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.827 123.5 53.2 -57.1 -38.1 18.4 12.6 5.7 804 375 B E H > S+ 0 0 129 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.894 108.0 48.8 -68.4 -47.3 17.4 14.6 8.8 805 376 B E H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.894 111.1 50.9 -60.7 -40.4 15.3 17.0 6.7 806 377 B L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.912 111.2 48.3 -59.4 -50.1 13.7 14.0 5.0 807 378 B A H X S+ 0 0 18 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.904 109.3 53.1 -57.8 -43.4 12.9 12.5 8.4 808 379 B K H X S+ 0 0 82 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.870 107.4 51.9 -61.5 -34.2 11.5 15.8 9.7 809 380 B S H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.919 111.7 46.1 -68.0 -44.5 9.2 16.0 6.6 810 381 B L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.921 110.0 54.3 -67.0 -36.3 7.9 12.5 7.3 811 382 B E H X S+ 0 0 73 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.916 106.2 52.5 -61.0 -46.4 7.5 13.3 11.0 812 383 B F H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.897 109.9 50.1 -57.5 -41.7 5.4 16.3 10.2 813 384 B G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.926 112.4 43.1 -59.4 -48.5 3.2 14.1 8.0 814 385 B T H X S+ 0 0 4 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.825 116.2 51.0 -72.4 -27.4 2.6 11.4 10.7 815 386 B T H X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.924 109.3 48.2 -73.6 -44.1 2.0 14.1 13.3 816 387 B L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.906 113.6 48.6 -62.4 -43.5 -0.5 16.0 11.2 817 388 B A H X S+ 0 0 8 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.841 108.0 53.4 -65.0 -40.3 -2.3 12.8 10.5 818 389 B A H X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.865 110.0 50.1 -59.6 -36.2 -2.3 11.8 14.2 819 390 B A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 6,-0.3 0.947 112.6 44.6 -70.0 -46.9 -3.9 15.1 15.0 820 391 B R H X S+ 0 0 20 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.875 111.5 53.7 -61.3 -39.0 -6.6 14.7 12.4 821 392 B A H < S+ 0 0 0 -4,-2.7 56,-1.6 1,-0.2 57,-0.9 0.820 113.2 44.2 -68.2 -28.4 -7.2 11.1 13.5 822 393 B S H < S+ 0 0 2 -4,-1.6 -2,-0.2 54,-0.2 -1,-0.2 0.911 125.9 27.8 -79.0 -42.5 -7.7 12.4 17.1 823 394 B L H < S- 0 0 1 -4,-2.2 -2,-0.2 2,-0.3 -3,-0.2 0.681 93.2-130.7 -96.8 -23.9 -9.9 15.4 16.5 824 395 B G S < S+ 0 0 14 -4,-2.1 2,-0.3 -5,-0.3 -4,-0.1 0.542 85.6 36.1 77.4 6.5 -11.6 14.4 13.3 825 396 B D S S- 0 0 54 -6,-0.3 2,-0.5 -5,-0.1 -2,-0.3 -0.946 77.6-121.3-171.4 163.5 -10.7 17.8 11.7 826 397 B I + 0 0 0 -2,-0.3 -267,-0.1 1,-0.1 -268,-0.1 -0.981 35.0 170.3-118.7 108.4 -7.9 20.3 11.7 827 398 B R - 0 0 83 -2,-0.5 -1,-0.1 1,-0.3 3,-0.0 0.783 61.6 -6.7 -89.9 -32.9 -9.6 23.5 12.9 828 399 B G S > S- 0 0 15 1,-0.1 3,-1.9 -269,-0.1 -1,-0.3 -0.959 77.4 -92.1-161.0 162.5 -6.6 25.7 13.4 829 400 B P G > S+ 0 0 40 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.850 117.6 64.1 -57.2 -34.6 -2.8 25.6 13.3 830 401 B D G > S+ 0 0 105 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.715 84.7 78.7 -64.5 -15.7 -2.5 24.8 17.1 831 402 B D G X> S+ 0 0 7 -3,-1.9 3,-0.9 1,-0.3 4,-0.7 0.746 77.8 71.5 -61.6 -22.1 -4.3 21.5 16.4 832 403 B Y H X> S+ 0 0 24 -3,-1.9 4,-1.0 -4,-0.3 3,-0.6 0.776 86.5 64.4 -56.5 -31.0 -1.0 20.2 15.1 833 404 B K H <> S+ 0 0 120 -3,-1.6 4,-0.6 -4,-0.3 -1,-0.2 0.800 89.3 67.6 -73.5 -22.2 0.2 20.1 18.7 834 405 B V H X4 S+ 0 0 8 -3,-0.9 3,-1.0 -4,-0.4 -1,-0.2 0.894 99.8 49.8 -60.4 -37.8 -2.4 17.5 19.5 835 406 B G H X< S+ 0 0 0 -4,-0.7 3,-1.9 -3,-0.6 -1,-0.2 0.832 98.4 66.3 -70.9 -30.9 -0.5 15.1 17.2 836 407 B L H 3< S+ 0 0 71 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.682 96.6 58.1 -61.3 -16.4 2.7 15.9 19.0 837 408 B K T << S+ 0 0 127 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.325 84.5 93.7 -93.8 -3.3 1.2 14.2 22.1 838 409 B V S < S- 0 0 3 -3,-1.9 2,-0.1 -23,-0.1 35,-0.1 -0.877 79.4-130.8 -92.0 127.0 0.7 11.0 20.3 839 410 B P - 0 0 70 0, 0.0 33,-0.6 0, 0.0 2,-0.1 -0.407 24.8 -97.1 -73.5 152.6 3.7 8.8 20.9 840 411 B F B -G 871 0I 61 31,-0.2 31,-0.2 1,-0.1 4,-0.1 -0.435 64.9 -83.9 -57.6 144.1 5.6 7.0 18.2 841 412 B N > - 0 0 7 29,-2.3 3,-1.7 -52,-0.1 -1,-0.1 0.082 31.3-107.4 -70.9 169.9 4.3 3.6 18.1 842 413 B E T 3 S+ 0 0 137 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.644 116.8 58.7 -77.2 -12.5 5.2 0.7 20.3 843 414 B R T 3> S+ 0 0 100 1,-0.2 4,-2.8 2,-0.1 3,-0.4 0.338 71.4 113.2 -86.9 4.5 7.1 -1.1 17.4 844 415 B S H <> S+ 0 0 3 -3,-1.7 4,-1.8 1,-0.3 -1,-0.2 0.841 77.6 45.3 -51.7 -40.1 9.4 1.9 16.9 845 416 B E H > S+ 0 0 87 -3,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.877 110.5 53.6 -73.2 -37.1 12.5 0.0 18.0 846 417 B Y H > S+ 0 0 115 -3,-0.4 4,-2.8 -4,-0.2 5,-0.3 0.930 107.3 52.4 -62.8 -41.9 11.6 -2.9 15.9 847 418 B V H X S+ 0 0 7 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.947 110.4 46.8 -55.0 -56.0 11.3 -0.6 12.8 848 419 B K H X S+ 0 0 91 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.932 114.4 48.4 -51.8 -47.1 14.8 0.9 13.3 849 420 B L H X S+ 0 0 102 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.956 113.5 44.5 -64.3 -51.7 16.3 -2.5 13.8 850 421 B R H X S+ 0 0 82 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.859 111.8 55.1 -60.9 -34.7 14.6 -4.0 10.8 851 422 B F H X S+ 0 0 23 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.963 106.6 50.3 -63.8 -41.8 15.6 -0.9 8.8 852 423 B E H X S+ 0 0 114 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.929 111.4 48.9 -59.4 -43.2 19.3 -1.4 9.8 853 424 B E H X S+ 0 0 59 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.907 109.9 52.0 -61.2 -41.0 19.0 -5.0 8.6 854 425 B A H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.887 105.7 53.1 -69.6 -36.8 17.5 -4.0 5.3 855 426 B K H < S+ 0 0 77 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.2 53.6 -62.7 -38.0 20.2 -1.5 4.5 856 427 B S H < S+ 0 0 110 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.822 115.8 37.6 -62.6 -35.5 22.7 -4.3 5.1 857 428 B R H < S+ 0 0 137 -4,-1.4 2,-0.3 -5,-0.1 -2,-0.2 0.803 112.5 59.8 -92.6 -28.2 20.9 -6.6 2.6 858 429 B L S < S- 0 0 25 -4,-2.6 2,-0.1 -5,-0.1 -93,-0.0 -0.730 84.8-100.5-109.5 151.1 19.9 -4.1 -0.1 859 430 B R + 0 0 193 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.361 27.9 179.1 -64.6 145.0 21.7 -1.6 -2.4 860 431 B X + 0 0 71 -2,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.500 46.0 110.2-145.4 54.6 21.8 2.0 -1.6 861 432 B R S S+ 0 0 149 3,-0.0 -64,-0.1 0, 0.0 -1,-0.0 0.871 86.7 20.5-100.1 -70.9 23.9 3.3 -4.4 862 433 B E S S+ 0 0 89 -66,-0.1 -65,-2.5 -65,-0.1 2,-0.3 0.705 121.4 61.2 -75.0 -17.5 21.6 5.4 -6.6 863 434 B Y E -Y 796 0E 28 -67,-0.2 2,-0.5 -66,-0.1 -67,-0.2 -0.833 63.9-146.2-121.1 133.9 18.9 6.0 -3.9 864 435 B K E -Y 795 0E 46 -69,-2.7 -69,-2.2 -2,-0.3 2,-0.4 -0.946 24.2-164.6 -87.2 131.7 18.6 7.7 -0.4 865 436 B V E -Y 794 0E 5 -2,-0.5 2,-0.4 -71,-0.2 -71,-0.2 -0.962 8.7-176.9-119.5 129.8 16.1 5.8 1.8 866 437 B V E -Y 793 0E 9 -73,-2.5 -73,-2.4 -2,-0.4 2,-0.4 -0.996 1.8-176.0-127.0 126.2 14.7 7.2 5.1 867 438 B V E +Y 792 0E 18 -2,-0.4 -75,-0.2 -75,-0.2 -60,-0.1 -0.990 4.6 173.2-124.9 132.7 12.3 5.3 7.4 868 439 B I E -Y 791 0E 12 -77,-2.2 -77,-2.3 -2,-0.4 2,-0.2 -0.922 33.4-109.6-127.5 156.0 10.6 6.6 10.6 869 440 B P E -Y 790 0E 14 0, 0.0 -79,-0.3 0, 0.0 2,-0.2 -0.536 38.4-113.6 -76.5 155.7 7.9 5.1 12.8 870 441 B T - 0 0 6 -81,-1.3 -29,-2.3 -2,-0.2 2,-1.1 -0.533 15.4-116.7 -87.0 156.6 4.4 6.5 12.8 871 442 B R B -G 840 0I 38 -31,-0.2 2,-0.4 -2,-0.2 -31,-0.2 -0.817 46.8-154.5 -83.7 97.3 2.5 8.3 15.5 872 443 B L - 0 0 59 -2,-1.1 2,-0.5 -33,-0.6 3,-0.1 -0.670 22.5-169.2 -88.8 129.1 -0.2 5.6 15.8 873 444 B V - 0 0 19 -2,-0.4 -502,-0.0 1,-0.1 -2,-0.0 -0.989 20.0-146.1-112.7 119.8 -3.7 6.4 17.0 874 445 B Q S S- 0 0 83 -2,-0.5 -1,-0.1 1,-0.3 -451,-0.0 0.816 80.9 -4.2 -73.4 -40.8 -5.2 2.9 17.6 875 446 B N S S- 0 0 93 -451,-0.5 -1,-0.3 -504,-0.1 -451,-0.2 -0.599 85.1-167.6-148.0 95.4 -8.9 3.6 16.6 876 447 B P - 0 0 27 0, 0.0 -54,-0.2 0, 0.0 -55,-0.1 -0.129 36.7-108.1 -73.1 171.7 -9.3 7.3 15.9 877 448 B V S S+ 0 0 31 -56,-1.6 2,-0.3 1,-0.2 -55,-0.1 0.728 109.2 35.3 -69.5 -22.4 -12.5 9.3 15.6 878 449 B L + 0 0 24 -57,-0.9 -1,-0.2 1,-0.1 -54,-0.1 -1.000 53.6 160.9-138.9 133.6 -11.7 9.4 11.8 879 450 B T > + 0 0 89 -2,-0.3 3,-1.4 -3,-0.1 -1,-0.1 0.657 48.3 97.6-120.7 -39.0 -10.1 6.9 9.5 880 451 B V T 3 S+ 0 0 71 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.342 95.6 9.7 -60.1 132.8 -11.0 7.9 5.9 881 452 B G T 3> S+ 0 0 12 -2,-0.1 4,-1.2 3,-0.0 -1,-0.2 0.691 77.2 133.1 75.7 22.4 -8.2 9.9 4.3 882 453 B L H <> S+ 0 0 35 -3,-1.4 4,-2.3 1,-0.2 3,-0.2 0.923 75.2 53.5 -72.1 -37.9 -5.4 9.5 6.8 883 454 B G H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 106.3 53.5 -48.6 -50.0 -2.9 8.7 4.0 884 455 B D H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 109.8 48.2 -54.9 -37.4 -4.0 11.9 2.2 885 456 B T H X S+ 0 0 1 -4,-1.2 4,-2.0 -3,-0.2 -2,-0.2 0.914 108.8 51.9 -74.5 -39.8 -3.2 13.9 5.3 886 457 B I H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.916 113.5 46.7 -59.8 -45.0 0.2 12.2 5.9 887 458 B S H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.886 108.5 53.6 -68.6 -38.2 1.1 13.1 2.3 888 459 B A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.904 113.4 43.4 -59.4 -49.1 -0.1 16.7 2.5 889 460 B G H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.898 116.0 46.8 -62.4 -43.1 2.1 17.3 5.6 890 461 B A H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.918 115.1 45.1 -67.9 -41.6 5.1 15.6 4.2 891 462 B F H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.903 110.0 55.6 -74.7 -34.5 4.9 17.3 0.9 892 463 B L H X S+ 0 0 2 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.899 113.8 40.4 -63.8 -41.3 4.2 20.7 2.5 893 464 B T H X S+ 0 0 3 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.780 108.8 60.4 -79.2 -30.5 7.4 20.4 4.6 894 465 B Y H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.966 107.6 46.7 -50.1 -53.1 9.3 18.9 1.6 895 466 B L H X S+ 0 0 7 -4,-2.6 4,-2.9 2,-0.2 3,-0.2 0.925 110.2 53.9 -55.8 -48.8 8.5 22.2 -0.2 896 467 B E H X S+ 0 0 15 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.944 110.7 44.9 -52.0 -51.2 9.6 24.2 2.9 897 468 B F H < S+ 0 0 8 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.811 113.0 50.4 -69.1 -26.7 13.0 22.5 3.0 898 469 B L H >< S+ 0 0 32 -4,-1.8 3,-1.1 -3,-0.2 -1,-0.2 0.909 107.6 53.2 -76.0 -47.3 13.5 22.8 -0.8 899 470 B K H 3< S+ 0 0 114 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.1 0.975 107.8 53.3 -41.3 -57.0 12.7 26.6 -0.6 900 471 B R T 3< 0 0 157 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.648 360.0 360.0 -58.4 -19.6 15.4 26.9 2.1 901 472 B H < 0 0 122 -3,-1.1 -100,-0.0 -4,-0.4 -3,-0.0 -0.510 360.0 360.0 -94.7 360.0 17.9 25.2 -0.2