==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-FEB-02 1KYH . COMPND 2 MOLECULE: HYPOTHETICAL 29.9 KDA PROTEIN IN SIGY-CYDD INTERG . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.ZHANG,I.DEMENTIEVA,E.VINOKOUR,F.COLLART,A.JOACHIMIAK,MIDWE . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 1 0 1 0 2 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 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 . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 N 0 0 214 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-154.4 41.8 -9.2 39.3 2 3 A V - 0 0 21 1,-0.1 191,-0.1 191,-0.1 2,-0.1 -0.511 360.0-128.7 -70.3 125.2 39.4 -7.0 37.4 3 4 A P - 0 0 66 0, 0.0 191,-2.0 0, 0.0 2,-0.3 -0.365 18.2-116.0 -74.5 154.6 37.5 -4.6 39.8 4 5 A F B -a 194 0A 80 189,-0.2 2,-1.2 -2,-0.1 191,-0.2 -0.648 18.9-123.0 -88.3 145.6 33.8 -4.3 39.8 5 6 A W - 0 0 8 189,-2.0 2,-0.1 -2,-0.3 188,-0.0 -0.812 48.9-160.1 -86.3 103.0 32.1 -1.0 38.9 6 7 A T >> - 0 0 43 -2,-1.2 4,-2.3 189,-0.1 3,-0.6 -0.329 33.8-102.7 -88.6 169.0 30.2 -0.7 42.2 7 8 A E H 3> S+ 0 0 67 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.849 123.0 60.6 -53.9 -35.9 27.2 1.3 43.4 8 9 A E H 3> S+ 0 0 128 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.915 106.7 44.6 -58.4 -45.2 29.8 3.6 45.0 9 10 A H H <> S+ 0 0 70 -3,-0.6 4,-0.9 2,-0.2 -2,-0.2 0.898 113.0 51.1 -66.5 -42.8 31.2 4.4 41.5 10 11 A V H >X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-1.1 0.957 109.9 48.8 -60.4 -52.0 27.7 4.8 40.0 11 12 A R H 3< S+ 0 0 100 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.857 112.4 49.0 -57.2 -37.8 26.5 7.2 42.6 12 13 A A H 3< S+ 0 0 87 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.622 119.3 36.6 -79.1 -13.4 29.6 9.3 42.2 13 14 A T H << S+ 0 0 28 -3,-1.1 -2,-0.2 -4,-0.9 211,-0.2 0.627 83.3 108.6-115.0 -17.0 29.4 9.5 38.5 14 15 A L S < S- 0 0 23 -4,-2.3 2,-0.1 254,-0.2 208,-0.1 -0.355 72.2-113.9 -61.8 140.5 25.7 9.7 37.5 15 16 A P - 0 0 31 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.460 14.3-131.2 -79.4 149.5 24.8 13.2 36.2 16 17 A E 0 0 159 -2,-0.1 253,-0.0 205,-0.1 0, 0.0 -0.889 360.0 360.0 -97.5 120.4 22.4 15.6 38.0 17 18 A R 0 0 163 -2,-0.6 204,-0.0 3,-0.0 30,-0.0 -0.258 360.0 360.0 -73.9 360.0 19.9 16.9 35.6 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 26 A T 0 0 150 0, 0.0 3,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 166.8 21.0 21.0 26.3 20 27 A Y - 0 0 64 1,-0.2 29,-0.8 28,-0.1 30,-0.1 0.171 360.0-111.2 -90.6 19.3 21.2 17.2 26.7 21 28 A G - 0 0 4 27,-0.2 28,-2.7 28,-0.2 29,-1.9 0.435 19.4 -95.9 71.4 151.9 22.2 16.5 23.2 22 29 A T E -b 50 0A 44 27,-0.2 68,-3.0 26,-0.2 69,-0.8 -0.902 36.4-158.6-106.3 128.8 20.6 14.8 20.2 23 30 A A E -bc 51 91A 0 27,-2.5 29,-2.8 -2,-0.5 2,-0.5 -0.771 6.9-144.1-107.4 153.7 21.3 11.2 19.6 24 31 A L E -bc 52 92A 0 67,-2.0 69,-2.3 -2,-0.3 2,-0.5 -0.979 10.5-166.4-118.6 128.1 21.1 9.2 16.3 25 32 A L E -bc 53 93A 0 27,-2.7 29,-3.1 -2,-0.5 2,-0.9 -0.966 3.0-168.3-116.7 114.6 19.9 5.6 16.4 26 33 A L E +bc 54 94A 0 67,-3.3 69,-1.8 -2,-0.5 2,-0.3 -0.878 42.8 118.1-103.3 101.0 20.5 3.6 13.2 27 34 A A + 0 0 0 -2,-0.9 29,-0.3 27,-0.7 70,-0.2 -0.983 25.5 58.1-159.1 166.0 18.5 0.5 13.8 28 35 A G - 0 0 0 68,-2.7 28,-1.0 -2,-0.3 2,-0.3 0.623 40.1-164.5 79.2 128.7 15.7 -1.8 12.8 29 36 A S B > -J 32 0B 14 3,-1.0 3,-0.9 68,-0.2 7,-0.1 -0.863 42.5 -85.3-135.4 168.7 14.9 -3.5 9.5 30 37 A D T 3 S+ 0 0 85 -2,-0.3 67,-0.0 1,-0.2 -1,-0.0 0.828 126.6 30.9 -46.4 -45.6 11.8 -5.2 8.0 31 38 A D T 3 S+ 0 0 156 1,-0.2 -1,-0.2 66,-0.1 3,-0.1 0.546 129.2 39.4 -94.7 -6.5 12.3 -8.6 9.6 32 39 A X B < S+J 29 0B 92 -3,-0.9 -3,-1.0 65,-0.3 3,-0.4 -0.451 72.4 137.5-134.3 57.2 14.1 -7.4 12.8 33 40 A P >> + 0 0 36 0, 0.0 3,-1.5 0, 0.0 4,-0.8 0.840 56.5 72.4 -73.4 -34.1 12.0 -4.2 13.4 34 41 A G H 3> S+ 0 0 40 1,-0.3 4,-2.5 2,-0.2 3,-0.5 0.777 82.5 68.9 -53.5 -34.9 11.7 -4.7 17.2 35 42 A A H 3> S+ 0 0 8 -3,-0.4 4,-2.7 1,-0.2 5,-0.3 0.828 96.0 55.7 -55.9 -34.2 15.3 -3.8 17.9 36 43 A A H <> S+ 0 0 0 -3,-1.5 4,-2.2 -4,-0.3 -1,-0.2 0.887 109.2 45.5 -68.6 -37.4 14.6 -0.2 16.9 37 44 A L H X S+ 0 0 37 -4,-0.8 4,-2.7 -3,-0.5 5,-0.2 0.932 114.9 48.1 -70.1 -43.9 11.8 0.2 19.4 38 45 A L H X S+ 0 0 27 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.936 117.4 40.5 -61.1 -48.4 13.8 -1.5 22.2 39 46 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.880 114.3 54.5 -68.9 -37.3 16.9 0.6 21.6 40 47 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.934 110.6 44.5 -61.7 -47.2 14.8 3.7 21.0 41 48 A L H X S+ 0 0 19 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.922 113.3 51.3 -62.6 -45.8 13.0 3.4 24.4 42 49 A G H X S+ 0 0 0 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.911 112.2 47.3 -58.3 -43.3 16.2 2.6 26.2 43 50 A A H ><>S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 5,-0.8 0.934 113.2 45.1 -66.0 -48.3 17.9 5.7 24.7 44 51 A X H ><5S+ 0 0 46 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.769 110.6 55.2 -69.6 -23.7 15.0 8.1 25.4 45 52 A R H 3<5S+ 0 0 119 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.667 98.4 71.5 -77.9 -17.1 14.7 6.7 29.0 46 53 A S T <<5S- 0 0 0 -3,-0.8 175,-0.3 -4,-0.7 174,-0.2 -0.098 116.0 -88.2 -99.3 37.2 18.4 7.5 29.5 47 54 A G T < 5S+ 0 0 13 -3,-0.5 -3,-0.1 1,-0.2 -2,-0.1 0.526 73.5 140.8 81.9 7.2 18.8 11.2 29.7 48 55 A L < - 0 0 9 -5,-0.8 -27,-0.2 1,-0.1 -1,-0.2 -0.193 49.7-134.8 -75.2 174.7 19.2 12.4 26.2 49 56 A G S S- 0 0 31 -28,-2.7 2,-0.3 -29,-0.8 -27,-0.2 0.852 80.9 -3.0 -94.8 -48.4 17.6 15.7 24.9 50 57 A K E -b 22 0A 137 -29,-1.9 -27,-2.5 -30,-0.1 -1,-0.4 -0.963 61.1-147.9-142.2 156.9 16.3 14.4 21.5 51 58 A L E -b 23 0A 2 18,-0.4 20,-2.4 -2,-0.3 2,-0.5 -0.992 4.9-168.2-133.2 127.4 16.4 11.2 19.5 52 59 A V E -bd 24 71A 22 -29,-2.8 -27,-2.7 -2,-0.4 2,-0.6 -0.961 13.0-155.7-110.7 124.1 16.4 10.8 15.8 53 60 A I E -bd 25 72A 0 18,-2.7 20,-2.2 -2,-0.5 2,-1.2 -0.909 4.7-161.5-105.6 117.3 15.8 7.2 14.6 54 61 A G E +b 26 0A 0 -29,-3.1 -27,-0.7 -2,-0.6 23,-0.6 -0.762 39.5 141.7 -95.9 87.4 17.2 6.3 11.2 55 62 A T - 0 0 0 -2,-1.2 20,-2.4 18,-0.3 21,-0.6 -0.776 56.6 -72.7-124.8 170.8 15.2 3.2 10.5 56 63 A S >> - 0 0 2 -28,-1.0 3,-1.9 -2,-0.3 4,-1.4 -0.269 46.1-113.1 -61.8 145.8 13.5 1.6 7.5 57 64 A E T 34 S+ 0 0 93 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.853 116.4 52.5 -46.9 -43.5 10.3 3.3 6.3 58 65 A N T 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.642 105.7 54.7 -72.4 -15.0 8.2 0.3 7.3 59 66 A V T X> S+ 0 0 2 -3,-1.9 3,-1.5 2,-0.1 4,-0.9 0.794 89.2 75.8 -88.0 -30.6 9.5 0.3 10.9 60 67 A I H >X S+ 0 0 11 -4,-1.4 4,-1.9 1,-0.3 3,-1.6 0.903 92.3 52.1 -47.4 -52.9 8.7 3.9 11.7 61 68 A P H 34 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.724 105.0 58.1 -60.7 -19.7 4.9 3.3 12.2 62 69 A L H <4 S+ 0 0 101 -3,-1.5 4,-0.2 -4,-0.2 -2,-0.2 0.681 110.2 42.7 -82.6 -17.6 5.7 0.5 14.6 63 70 A I H XX S+ 0 0 1 -3,-1.6 4,-2.7 -4,-0.9 3,-1.4 0.873 97.8 71.3 -92.8 -44.7 7.7 2.8 16.9 64 71 A V T 3< S+ 0 0 61 -4,-1.9 -2,-0.1 1,-0.3 6,-0.1 0.829 93.0 53.5 -42.7 -53.2 5.5 5.9 17.0 65 72 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.820 120.7 34.0 -57.1 -30.8 2.6 4.6 19.1 66 73 A V T <4 S+ 0 0 78 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.777 133.4 25.7 -94.8 -30.5 5.0 3.5 21.8 67 74 A L >< + 0 0 7 -4,-2.7 3,-1.5 1,-0.1 -1,-0.2 -0.583 63.2 161.0-134.6 69.8 7.7 6.2 21.5 68 75 A P T 3 + 0 0 80 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.594 68.8 73.7 -67.4 -7.6 6.0 9.3 20.1 69 76 A E T 3 S+ 0 0 119 -3,-0.1 -18,-0.4 -5,-0.1 2,-0.1 0.668 80.5 87.2 -79.7 -18.3 8.8 11.4 21.4 70 77 A A < - 0 0 7 -3,-1.5 2,-0.3 -6,-0.1 -18,-0.2 -0.482 62.7-155.0 -82.3 152.1 11.3 10.2 18.8 71 78 A T E -d 52 0A 82 -20,-2.4 -18,-2.7 -2,-0.1 2,-0.3 -0.759 19.1-121.2-117.7 171.6 11.6 11.8 15.4 72 79 A Y E -d 53 0A 61 -2,-0.3 2,-0.6 -20,-0.2 -18,-0.2 -0.854 22.4-160.2-129.1 155.6 12.9 10.1 12.2 73 80 A W > - 0 0 70 -20,-2.2 3,-2.2 -2,-0.3 -18,-0.3 -0.936 45.5-127.3-121.8 95.5 15.4 10.0 9.4 74 81 A R T 3 S- 0 0 119 -2,-0.6 -18,-0.2 1,-0.3 5,-0.1 -0.249 86.1 -7.2 -52.2 123.2 13.5 7.9 6.9 75 82 A D T >> S+ 0 0 40 -20,-2.4 4,-2.4 3,-0.1 3,-0.6 0.818 89.9 160.5 56.2 34.3 15.6 5.0 5.7 76 83 A G H <> + 0 0 0 -3,-2.2 4,-2.2 -21,-0.6 -21,-0.2 0.868 63.3 50.2 -53.8 -48.6 18.5 6.5 7.7 77 84 A W H 34 S+ 0 0 17 -23,-0.6 4,-0.3 1,-0.2 -1,-0.2 0.800 113.5 47.7 -66.5 -25.3 20.8 3.5 8.1 78 85 A K H X4 S+ 0 0 102 -3,-0.6 3,-1.2 2,-0.2 4,-0.4 0.904 112.5 48.1 -78.2 -42.0 20.6 2.8 4.3 79 86 A K H >X S+ 0 0 98 -4,-2.4 3,-1.4 1,-0.3 4,-1.1 0.817 101.1 66.4 -66.1 -30.7 21.2 6.5 3.4 80 87 A A T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 30,-0.2 0.706 91.2 64.7 -64.0 -19.4 24.2 6.5 5.8 81 88 A A T <4 S+ 0 0 15 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.741 104.1 45.3 -75.9 -22.4 25.9 4.0 3.5 82 89 A D T <4 S+ 0 0 142 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.730 120.7 8.1 -94.0 -25.7 26.1 6.6 0.7 83 90 A A S < S- 0 0 54 -4,-1.1 -1,-0.2 24,-0.0 3,-0.1 -0.996 76.3 -92.4-155.9 159.3 27.3 9.7 2.4 84 91 A Q - 0 0 119 -2,-0.3 2,-0.2 1,-0.1 27,-0.1 -0.247 57.8 -89.3 -66.0 158.7 28.7 11.2 5.6 85 92 A L - 0 0 31 25,-0.5 -1,-0.1 1,-0.1 -5,-0.0 -0.508 29.9-165.1 -72.4 137.3 26.2 12.7 8.1 86 93 A E + 0 0 189 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.340 69.4 77.6-102.8 4.8 25.4 16.3 7.5 87 94 A E S S- 0 0 127 2,-0.0 2,-0.5 0, 0.0 -2,-0.1 -0.802 81.1-121.9-111.9 154.2 23.8 16.7 10.9 88 95 A T - 0 0 130 -2,-0.3 2,-0.3 26,-0.1 -66,-0.1 -0.849 30.5-176.4-101.0 129.2 25.6 17.0 14.3 89 96 A Y - 0 0 26 -2,-0.5 -66,-0.2 1,-0.1 3,-0.1 -0.921 31.7-142.3-124.9 150.7 24.9 14.4 17.0 90 97 A R S S- 0 0 97 -68,-3.0 2,-0.3 -2,-0.3 -67,-0.2 0.794 90.3 -7.2 -77.0 -30.0 26.1 14.0 20.6 91 98 A A E -c 23 0A 0 -69,-0.8 -67,-2.0 25,-0.2 2,-0.4 -0.975 64.5-151.2-162.5 154.3 26.3 10.2 20.1 92 99 A I E -ce 24 118A 0 25,-2.1 27,-3.0 -2,-0.3 2,-0.4 -0.992 4.9-169.8-136.2 141.1 25.4 7.6 17.6 93 100 A A E +ce 25 119A 0 -69,-2.3 -67,-3.3 -2,-0.4 2,-0.3 -0.991 10.7 176.7-128.2 137.7 24.4 3.9 17.8 94 101 A I E +ce 26 120A 0 25,-2.6 27,-1.8 -2,-0.4 -67,-0.2 -0.999 47.6 48.7-141.1 141.8 24.2 1.6 14.8 95 102 A G > + 0 0 0 -69,-1.8 3,-2.8 -2,-0.3 28,-1.3 -0.133 54.5 127.5 130.5 -45.0 23.5 -2.1 14.5 96 103 A P T 3 S- 0 0 0 0, 0.0 -68,-2.7 0, 0.0 -1,-0.3 -0.272 94.9 -2.3 -52.0 125.8 20.4 -3.2 16.5 97 104 A G T 3 S+ 0 0 6 1,-0.2 -65,-0.3 -70,-0.2 -68,-0.2 0.586 104.4 129.4 69.0 9.9 18.1 -5.1 14.1 98 105 A L < - 0 0 4 -3,-2.8 25,-0.3 -72,-0.1 -1,-0.2 -0.745 61.1-111.0 -99.2 147.0 20.4 -4.5 11.1 99 106 A P - 0 0 38 0, 0.0 2,-1.8 0, 0.0 5,-0.1 -0.322 29.1-109.8 -71.1 155.9 21.6 -7.2 8.8 100 107 A Q S S+ 0 0 132 4,-0.1 2,-0.3 3,-0.1 24,-0.1 -0.555 71.3 136.2 -85.3 73.6 25.3 -8.3 8.7 101 108 A T S > S- 0 0 58 -2,-1.8 4,-1.6 22,-0.2 3,-0.2 -0.774 70.3-114.0-122.8 166.4 26.0 -6.8 5.3 102 109 A E H > S+ 0 0 169 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.839 115.1 60.2 -64.0 -33.8 28.6 -4.8 3.5 103 110 A S H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.880 103.5 50.1 -63.0 -38.3 26.1 -1.9 3.2 104 111 A V H > S+ 0 0 0 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 109.0 52.1 -66.5 -39.4 25.8 -1.7 6.9 105 112 A Q H X S+ 0 0 30 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.845 106.5 54.1 -65.1 -31.3 29.6 -1.6 7.2 106 113 A Q H X S+ 0 0 99 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.900 108.0 49.2 -67.4 -40.4 29.6 1.3 4.7 107 114 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.903 109.2 53.2 -64.3 -41.1 27.2 3.2 6.9 108 115 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.930 107.1 51.3 -59.4 -46.4 29.5 2.4 9.9 109 116 A D H < S+ 0 0 59 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.914 112.3 46.3 -58.9 -42.8 32.5 3.9 8.0 110 117 A H H >< S+ 0 0 44 -4,-2.0 3,-1.0 -30,-0.2 -25,-0.5 0.869 111.5 51.5 -67.6 -36.8 30.5 7.1 7.2 111 118 A V H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.869 100.6 63.1 -67.7 -36.3 29.3 7.4 10.8 112 119 A L T 3< S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.605 89.7 68.4 -65.8 -11.2 32.8 7.1 12.1 113 120 A T T < S+ 0 0 68 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.633 83.4 93.2 -82.9 -11.9 33.8 10.3 10.4 114 121 A A S < S- 0 0 25 -3,-1.8 2,-1.0 -4,-0.2 21,-0.2 -0.334 86.1-115.9 -75.4 161.5 31.6 12.3 12.7 115 122 A D S S+ 0 0 121 19,-0.1 -1,-0.1 -26,-0.1 -2,-0.1 -0.699 79.3 77.9-101.5 81.0 33.0 13.8 15.9 116 123 A C S S- 0 0 9 -2,-1.0 -25,-0.2 -4,-0.1 19,-0.2 -0.967 88.4 -71.8-171.9 163.9 31.1 11.9 18.6 117 124 A P - 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0 0 14 -4,-1.7 -208,-0.1 1,-0.1 6,-0.1 -0.878 62.8-153.4-103.7 135.1 27.4 12.1 31.0 223 230 A E S S+ 0 0 191 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.867 89.0 59.3 -72.3 -34.5 30.4 14.3 30.4 224 231 A D S >> S- 0 0 61 -211,-0.2 4,-1.7 1,-0.1 3,-0.5 -0.852 71.9-158.0-100.1 113.1 32.7 11.3 30.6 225 232 A P H 3> S+ 0 0 39 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.819 92.7 59.4 -56.6 -34.7 31.9 8.6 28.0 226 233 A K H 3> S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.920 106.6 46.2 -62.9 -42.0 33.6 5.9 30.0 227 234 A H H <> S+ 0 0 54 -3,-0.5 4,-2.8 1,-0.2 5,-0.3 0.852 108.6 57.0 -68.4 -34.3 31.2 6.6 32.9 228 235 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.942 110.0 44.0 -61.4 -46.8 28.2 6.6 30.6 229 236 A V H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.937 116.2 46.0 -63.7 -48.8 29.1 3.1 29.4 230 237 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.901 115.0 46.5 -62.6 -42.7 29.8 1.7 32.8 231 238 A N H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.854 111.3 52.6 -69.7 -33.9 26.6 3.2 34.4 232 239 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 0.956 111.7 44.9 -66.7 -47.9 24.5 2.0 31.5 233 240 A V H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.922 116.3 48.4 -61.6 -41.5 25.7 -1.6 31.8 234 241 A Y H X S+ 0 0 22 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.951 113.9 42.9 -64.1 -51.8 25.3 -1.3 35.6 235 242 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.856 109.5 58.7 -64.8 -34.0 21.7 0.1 35.6 236 243 A H H X S+ 0 0 15 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.946 111.3 41.8 -59.6 -47.0 20.6 -2.2 32.9 237 244 A G H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -39,-0.6 0.888 110.4 57.4 -67.6 -38.2 21.6 -5.1 35.1 238 245 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.817 101.8 56.0 -62.6 -31.7 20.1 -3.4 38.2 239 246 A C H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.896 106.3 50.4 -67.3 -38.8 16.7 -3.2 36.4 240 247 A A H X S+ 0 0 0 -4,-1.2 4,-1.7 1,-0.2 -2,-0.2 0.869 109.9 51.1 -65.7 -37.2 16.7 -7.0 35.9 241 248 A E H < S+ 0 0 73 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.899 108.1 50.8 -67.8 -40.6 17.5 -7.5 39.6 242 249 A L H >X S+ 0 0 55 -4,-2.1 3,-1.3 1,-0.2 4,-0.5 0.919 107.5 56.1 -62.7 -40.9 14.6 -5.2 40.6 243 250 A W H >X S+ 0 0 24 -4,-2.1 4,-1.6 1,-0.3 3,-1.0 0.904 101.3 55.3 -56.4 -46.4 12.4 -7.3 38.4 244 251 A T H 3< S+ 0 0 49 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.552 86.8 81.5 -69.1 -6.7 13.2 -10.6 40.1 245 252 A D H <4 S+ 0 0 119 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.922 119.6 3.4 -63.1 -42.3 12.2 -9.3 43.5 246 253 A E H << S+ 0 0 175 -3,-1.0 2,-0.3 -4,-0.5 -2,-0.2 0.397 127.9 61.7-124.0 -0.8 8.5 -10.0 42.7 247 254 A H S < S- 0 0 87 -4,-1.6 2,-0.1 -5,-0.2 5,-0.1 -0.955 86.8-100.1-129.8 149.5 8.6 -11.6 39.3 248 255 A S > - 0 0 60 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.434 25.5-132.2 -66.4 135.8 10.1 -14.8 37.9 249 256 A A G > S+ 0 0 36 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.726 105.7 65.5 -60.2 -21.4 13.4 -14.3 36.1 250 257 A H G 3 S+ 0 0 163 1,-0.2 -1,-0.3 -46,-0.0 -2,-0.0 0.682 98.3 53.9 -73.2 -18.4 12.0 -16.5 33.3 251 258 A T G < S+ 0 0 73 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.439 72.3 123.0-102.1 -0.8 9.3 -14.0 32.5 252 259 A L < - 0 0 1 -3,-0.6 2,-0.4 -4,-0.3 3,-0.0 -0.346 43.9-155.1 -66.3 139.9 11.0 -10.6 31.8 253 260 A L > - 0 0 85 1,-0.1 3,-2.1 -2,-0.1 4,-0.5 -0.956 23.4-123.0-113.5 135.2 10.5 -8.9 28.5 254 261 A A T >> S+ 0 0 9 -49,-0.5 3,-1.9 -2,-0.4 4,-0.7 0.826 107.3 60.2 -45.2 -45.8 13.3 -6.6 27.4 255 262 A H H 3> S+ 0 0 76 1,-0.3 4,-0.8 2,-0.2 3,-0.5 0.762 94.5 66.7 -60.6 -21.2 11.1 -3.5 27.0 256 263 A E H <> S+ 0 0 44 -3,-2.1 4,-1.6 1,-0.2 -1,-0.3 0.740 86.4 67.6 -72.0 -21.8 10.2 -3.8 30.7 257 264 A L H <> S+ 0 0 0 -3,-1.9 4,-1.9 -4,-0.5 -1,-0.2 0.902 101.1 49.8 -62.2 -38.2 13.8 -2.9 31.7 258 265 A S H < S+ 0 0 0 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.803 107.6 53.0 -68.8 -31.2 13.1 0.5 30.2 259 266 A D H < S+ 0 0 87 -4,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.771 113.2 45.2 -72.5 -28.8 9.9 0.8 32.3 260 267 A I H >X S+ 0 0 25 -4,-1.6 4,-2.0 1,-0.1 3,-0.9 0.776 92.5 79.5 -84.8 -32.1 11.9 -0.1 35.4 261 268 A L H 3X S+ 0 0 1 -4,-1.9 4,-3.2 1,-0.2 5,-0.4 0.825 82.3 64.7 -48.0 -42.6 14.8 2.2 34.9 262 269 A P H 3> S+ 0 0 57 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.909 111.2 35.5 -50.4 -47.8 13.0 5.4 36.1 263 270 A R H <> S+ 0 0 205 -3,-0.9 4,-1.2 -4,-0.3 -2,-0.2 0.867 117.6 51.9 -75.6 -37.8 12.7 4.0 39.6 264 271 A V H >X S+ 0 0 1 -4,-2.0 4,-0.8 1,-0.2 3,-0.6 0.941 109.3 49.5 -64.4 -46.7 16.0 2.2 39.7 265 272 A W H >< S+ 0 0 25 -4,-3.2 3,-1.2 1,-0.2 4,-0.3 0.912 105.0 59.8 -57.9 -43.2 17.9 5.3 38.6 266 273 A K H >< S+ 0 0 143 -4,-1.3 3,-1.4 -5,-0.4 -1,-0.2 0.848 98.3 58.8 -53.5 -38.1 16.2 7.3 41.3 267 274 A R H << S+ 0 0 120 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.801 104.3 50.7 -63.5 -30.3 17.6 5.0 43.9 268 275 A F T << 0 0 4 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.343 360.0 360.0 -91.8 5.5 21.2 5.9 42.8 269 276 A E < 0 0 130 -3,-1.4 -258,-0.1 -4,-0.3 -257,-0.1 -0.534 360.0 360.0 -96.9 360.0 20.6 9.7 42.9