==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 03-OCT-05 2D3W . COMPND 2 MOLECULE: PROBABLE ATP-DEPENDENT TRANSPORTER SUFC; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.KITAOKA,K.WADA,Y.HASEGAWA,Y.MINAMI,Y.TAKAHASHI,K.FUKUYAMA . 972 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45478.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 713 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 13.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.4 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 . 78 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.7 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 4 2 1 4 2 2 1 0 0 3 7 3 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 7 2 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 PARALLEL BRIDGES PER LADDER . 3 3 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 0 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 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 1 A M 0 0 45 0, 0.0 62,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -70.1 74.0 8.6 68.0 2 2 A L E +AB 24 62A 2 22,-2.6 22,-2.2 60,-0.2 2,-0.5 -0.926 360.0 179.4-116.2 117.5 70.5 9.2 69.4 3 3 A S E -AB 23 61A 19 58,-3.2 58,-3.0 -2,-0.5 2,-0.6 -0.945 2.3-177.9-119.7 116.9 69.6 12.3 71.4 4 4 A I E -AB 22 60A 1 18,-3.4 18,-2.6 -2,-0.5 2,-0.5 -0.952 8.6-175.3-112.7 115.7 66.0 12.7 72.8 5 5 A K E - B 0 59A 86 54,-2.0 54,-2.2 -2,-0.6 16,-0.2 -0.953 61.9 -28.0-121.5 120.1 65.5 16.0 74.7 6 6 A D E S- 0 0 97 -2,-0.5 2,-0.5 13,-0.3 15,-0.2 0.901 77.9-170.2 48.8 58.2 62.3 16.9 76.4 7 7 A L E -A 20 0A 0 13,-2.8 13,-2.2 51,-0.2 12,-1.6 -0.671 11.5-172.8 -87.8 123.8 60.0 14.9 74.2 8 8 A H E +AB 18 57A 73 49,-4.3 49,-1.4 -2,-0.5 48,-1.1 -0.954 9.8 175.6-113.7 126.6 56.2 15.4 74.5 9 9 A V E -AB 17 55A 0 8,-1.6 7,-2.5 -2,-0.5 8,-1.9 -0.995 11.7-163.9-138.3 135.6 53.9 13.0 72.5 10 10 A S E -AB 15 54A 14 44,-3.0 44,-1.8 -2,-0.4 2,-0.5 -0.929 4.6-157.1-121.3 139.8 50.1 12.6 72.3 11 11 A V E > S-A 14 0A 35 3,-1.3 3,-2.3 -2,-0.4 42,-0.0 -0.964 80.9 -16.2-118.5 126.0 48.0 9.8 70.9 12 12 A E T 3 S- 0 0 175 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.783 129.1 -58.1 53.8 27.4 44.4 10.3 69.9 13 13 A D T 3 S+ 0 0 134 1,-0.2 2,-0.7 41,-0.1 -1,-0.3 0.547 112.4 117.7 80.4 12.9 44.8 13.6 71.9 14 14 A K E < S-A 11 0A 58 -3,-2.3 -3,-1.3 0, 0.0 -1,-0.2 -0.896 70.5-120.9-113.0 102.4 45.7 12.0 75.2 15 15 A A E +A 10 0A 53 -2,-0.7 -5,-0.3 -5,-0.2 3,-0.1 -0.125 41.9 163.6 -43.9 116.8 49.2 13.1 76.3 16 16 A I E + 0 0 34 -7,-2.5 2,-0.5 1,-0.3 23,-0.3 0.849 60.9 44.1-103.6 -58.4 51.4 10.0 76.7 17 17 A L E -A 9 0A 2 -8,-1.9 -8,-1.6 21,-0.1 -1,-0.3 -0.790 65.3-170.3 -92.7 130.9 55.0 11.2 76.8 18 18 A R E -A 8 0A 86 204,-1.1 -10,-0.2 -2,-0.5 -11,-0.1 -0.476 68.4 -36.7-122.6 66.2 55.6 14.2 79.0 19 19 A G E S- 0 0 2 -12,-1.6 2,-0.3 -2,-0.2 -13,-0.3 0.899 76.6-178.6 87.8 48.5 59.1 15.6 78.5 20 20 A L E -A 7 0A 0 -13,-2.2 -13,-2.8 202,-0.1 2,-0.4 -0.635 4.9-170.4 -83.4 133.8 61.2 12.4 78.1 21 21 A S E + 0 0 50 -2,-0.3 2,-0.3 -15,-0.2 -16,-0.2 -0.978 13.5 157.2-126.2 138.9 64.9 12.8 77.6 22 22 A L E -A 4 0A 11 -18,-2.6 -18,-3.4 -2,-0.4 2,-0.4 -0.961 22.0-160.7-160.4 140.3 67.3 10.0 76.7 23 23 A D E -A 3 0A 79 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.984 10.6-177.1-123.1 135.0 70.8 9.7 75.1 24 24 A V E -A 2 0A 0 -22,-2.2 -22,-2.6 -2,-0.4 173,-0.1 -0.992 6.5-168.5-135.8 128.0 72.0 6.5 73.5 25 25 A H > - 0 0 88 -2,-0.4 3,-1.4 -24,-0.2 -2,-0.0 -0.604 39.6 -58.8-108.7 170.7 75.5 6.1 72.1 26 26 A P T 3 S+ 0 0 77 0, 0.0 170,-0.2 0, 0.0 -1,-0.1 -0.162 115.7 9.6 -52.9 135.2 77.1 3.4 69.9 27 27 A G T 3 S+ 0 0 22 1,-0.2 2,-0.3 -3,-0.1 170,-0.2 0.573 93.7 124.0 75.0 10.2 77.3 -0.1 71.2 28 28 A E < - 0 0 35 -3,-1.4 170,-1.8 167,-0.1 2,-0.5 -0.773 49.1-148.7-103.7 149.9 75.0 0.3 74.2 29 29 A V E -d 198 0B 0 -2,-0.3 185,-2.7 168,-0.2 186,-2.0 -0.985 15.7-165.4-115.3 124.1 71.8 -1.8 74.9 30 30 A H E -de 199 215B 3 168,-2.6 170,-2.4 -2,-0.5 2,-0.5 -0.944 6.4-158.3-118.2 119.7 69.0 0.1 76.7 31 31 A A E -de 200 216B 0 184,-2.1 186,-2.8 -2,-0.5 2,-0.6 -0.810 7.7-153.7 -97.0 128.7 66.0 -1.6 78.3 32 32 A I E +de 201 217B 0 168,-2.8 170,-1.5 -2,-0.5 2,-0.3 -0.901 20.7 175.0-103.0 122.9 63.0 0.6 78.9 33 33 A M E + e 0 218B 24 184,-2.9 186,-4.6 -2,-0.6 170,-0.1 -0.853 15.0 112.0-125.3 160.9 60.7 -0.6 81.7 34 34 A G - 0 0 4 -2,-0.3 186,-0.2 184,-0.2 169,-0.1 -0.741 65.2 -44.7 151.7 160.2 57.6 0.8 83.4 35 35 A P > - 0 0 53 0, 0.0 3,-1.1 0, 0.0 5,-0.3 -0.125 69.1 -97.7 -50.7 144.6 53.9 0.2 83.9 36 36 A N T 3 S+ 0 0 148 1,-0.2 3,-0.1 167,-0.1 4,-0.0 0.092 106.3 32.4 -55.6 173.8 51.9 -0.7 80.9 37 37 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.2 2,-0.1 5,-0.0 0.335 98.6 116.8 58.2 -13.4 49.9 1.8 78.8 38 38 A S S X> S- 0 0 20 -3,-1.1 3,-0.7 -4,-0.1 4,-0.6 -0.020 88.2 -77.9 -74.1-173.7 52.6 4.2 79.8 39 39 A G H 3> S+ 0 0 0 -23,-0.3 4,-2.2 1,-0.2 5,-0.2 0.614 106.6 89.6 -63.8 -15.3 55.0 6.0 77.5 40 40 A K H 3> S+ 0 0 11 -5,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.922 94.7 37.8 -51.1 -51.9 57.4 3.1 76.9 41 41 A S H <> S+ 0 0 41 -3,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.871 115.7 51.1 -69.1 -37.3 55.5 1.7 73.9 42 42 A T H X S+ 0 0 15 -4,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.795 105.1 61.5 -71.2 -20.7 54.5 5.1 72.4 43 43 A L H X S+ 0 0 2 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.892 104.8 45.5 -68.9 -39.1 58.2 5.9 72.7 44 44 A S H X S+ 0 0 3 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.894 113.0 49.4 -72.5 -39.4 59.2 3.0 70.4 45 45 A A H X S+ 0 0 13 -4,-1.9 4,-1.0 1,-0.2 5,-0.3 0.779 106.8 56.0 -70.6 -27.8 56.5 3.9 67.8 46 46 A T H < S+ 0 0 0 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.805 109.4 46.5 -75.0 -28.1 57.5 7.6 67.8 47 47 A L H < S+ 0 0 0 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.1 0.943 112.5 46.9 -76.9 -48.8 61.0 6.7 66.9 48 48 A A H < S- 0 0 8 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.732 98.0-141.8 -64.4 -20.3 60.2 4.2 64.1 49 49 A G >< + 0 0 3 -4,-1.0 3,-1.5 1,-0.3 -3,-0.1 0.492 45.5 152.8 72.6 0.5 57.7 6.7 62.7 50 50 A R T 3 S- 0 0 68 1,-0.3 -1,-0.3 -5,-0.3 3,-0.1 -0.430 83.3 -18.7 -62.7 137.1 55.3 3.9 61.9 51 51 A E T 3 S- 0 0 133 -3,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.718 101.0-154.3 29.1 32.8 51.8 5.3 62.0 52 52 A D < - 0 0 57 -3,-1.5 -6,-0.1 -7,-0.1 -1,-0.1 0.266 6.2-143.2 -31.4 151.6 53.4 8.1 64.0 53 53 A Y - 0 0 73 -11,-0.2 2,-0.5 -3,-0.1 -42,-0.2 0.335 38.9 -57.1 -96.0-134.8 51.3 10.0 66.4 54 54 A E E -B 10 0A 101 -44,-1.8 -44,-3.0 0, 0.0 2,-0.9 -0.911 38.8-156.5-123.4 105.1 51.4 13.7 67.4 55 55 A V E -B 9 0A 49 -2,-0.5 -46,-0.3 -46,-0.2 3,-0.1 -0.704 12.5-179.9 -81.3 108.7 54.6 15.2 68.8 56 56 A T E - 0 0 97 -48,-1.1 2,-0.3 -2,-0.9 -1,-0.2 0.861 61.9 -15.2 -76.2 -39.4 53.6 18.2 70.8 57 57 A G E S+B 8 0A 22 -49,-1.4 -49,-4.3 2,-0.0 -1,-0.3 -0.995 89.4 58.8-162.5 161.2 57.0 19.3 71.8 58 58 A G E - 0 0 43 -2,-0.3 2,-0.3 -51,-0.3 -52,-0.2 -0.345 61.3 -93.4 105.9 172.8 60.6 18.3 72.2 59 59 A T E -B 5 0A 48 -54,-2.2 -54,-2.0 -2,-0.1 2,-0.4 -0.908 17.7-163.7-131.4 152.8 63.4 17.2 69.8 60 60 A V E -B 4 0A 0 -2,-0.3 7,-2.2 -56,-0.2 8,-0.7 -0.939 12.6-175.5-137.5 115.0 64.9 13.9 68.5 61 61 A E E -BC 3 66A 80 -58,-3.0 -58,-3.2 -2,-0.4 2,-0.4 -0.898 5.4-171.1-113.7 141.2 68.3 13.9 66.8 62 62 A F E > S-BC 2 65A 2 3,-2.0 3,-2.4 -2,-0.4 -60,-0.2 -0.999 77.8 -17.1-128.6 129.7 69.9 10.9 65.2 63 63 A K T 3 S- 0 0 92 -62,-2.9 -61,-0.1 -2,-0.4 3,-0.1 0.790 133.1 -49.2 43.2 33.3 73.5 11.0 64.1 64 64 A G T 3 S+ 0 0 67 -63,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.579 116.9 102.3 88.2 10.4 73.2 14.8 64.2 65 65 A K E < S-C 62 0A 45 -3,-2.4 -3,-2.0 0, 0.0 2,-1.1 -0.856 80.9 -97.8-126.9 162.3 69.9 15.3 62.3 66 66 A D E > -C 61 0A 86 -2,-0.3 3,-1.5 -5,-0.2 4,-0.3 -0.666 34.6-171.6 -79.4 100.7 66.3 16.0 63.2 67 67 A L G > S+ 0 0 2 -7,-2.2 3,-1.3 -2,-1.1 -1,-0.2 0.777 79.1 65.2 -63.7 -29.3 64.8 12.5 63.0 68 68 A L G 3 S+ 0 0 46 -8,-0.7 -1,-0.3 1,-0.3 -13,-0.1 0.557 92.3 63.4 -74.5 -6.3 61.2 13.8 63.3 69 69 A A G < S+ 0 0 81 -3,-1.5 2,-0.3 2,-0.1 -1,-0.3 0.559 91.8 85.0 -91.4 -10.4 61.6 15.5 59.9 70 70 A L S < S- 0 0 40 -3,-1.3 -3,-0.0 -4,-0.3 0, 0.0 -0.708 80.0-119.6 -99.6 144.6 62.0 12.2 58.2 71 71 A S > - 0 0 34 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.265 39.5 -99.1 -68.7 163.6 59.4 9.8 56.9 72 72 A P H > S+ 0 0 42 0, 0.0 4,-0.7 0, 0.0 -22,-0.1 0.863 124.7 50.2 -53.9 -38.1 59.3 6.3 58.4 73 73 A E H >> S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 3,-0.7 0.910 107.2 50.3 -69.1 -45.4 61.2 5.0 55.3 74 74 A D H 3> S+ 0 0 47 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.818 106.6 57.2 -63.6 -31.3 64.0 7.6 55.3 75 75 A R H 3<>S+ 0 0 5 -4,-1.8 5,-2.7 2,-0.2 4,-0.3 0.763 104.5 51.6 -71.1 -24.6 64.6 6.8 59.0 76 76 A A H X<5S+ 0 0 35 -3,-0.7 3,-0.7 -4,-0.7 -2,-0.2 0.861 111.1 47.7 -78.2 -34.8 65.1 3.2 58.0 77 77 A G H 3<5S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.813 105.1 59.5 -72.1 -27.4 67.6 4.5 55.4 78 78 A E T 3<5S- 0 0 46 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.621 131.0 -93.5 -75.8 -10.8 69.2 6.6 58.1 79 79 A G T < 5S+ 0 0 1 -3,-0.7 86,-2.2 1,-0.4 87,-1.6 0.345 83.9 129.7 118.7 -8.6 69.9 3.5 60.0 80 80 A I E < -f 166 0B 6 -5,-2.7 -1,-0.4 85,-0.2 2,-0.4 -0.702 35.3-172.0 -84.9 130.7 66.9 3.2 62.4 81 81 A F E +f 167 0B 13 85,-2.3 87,-2.7 -2,-0.4 2,-0.3 -0.968 20.4 168.5-128.1 141.0 65.2 -0.2 62.3 82 82 A M E -f 168 0B 29 -2,-0.4 87,-0.1 85,-0.2 85,-0.0 -0.980 47.2 -98.0-143.3 135.0 62.1 -1.8 63.8 83 83 A A - 0 0 23 85,-0.6 2,-0.3 -2,-0.3 72,-0.1 -0.160 44.7-167.6 -55.8 153.1 60.9 -5.2 62.7 84 84 A F - 0 0 24 71,-0.0 2,-0.3 249,-0.0 74,-0.1 -0.863 22.2-102.0-136.1 170.4 58.1 -5.3 60.1 85 85 A Q - 0 0 145 -2,-0.3 248,-0.4 3,-0.0 3,-0.1 -0.733 34.8-117.8 -96.6 147.6 55.7 -7.8 58.5 86 86 A Y - 0 0 26 -2,-0.3 9,-0.1 1,-0.1 8,-0.0 -0.603 42.2 -95.5 -78.8 144.5 56.3 -9.2 55.1 87 87 A P - 0 0 14 0, 0.0 2,-0.7 0, 0.0 3,-0.3 -0.334 44.9-113.5 -61.0 141.0 53.6 -8.3 52.5 88 88 A V S S- 0 0 89 242,-0.2 242,-0.3 1,-0.2 6,-0.1 -0.705 70.7 -33.9 -90.9 115.7 51.0 -11.0 52.3 89 89 A E S S+ 0 0 52 -2,-0.7 -1,-0.2 1,-0.2 5,-0.1 0.876 72.6 162.3 47.5 54.8 50.7 -13.0 49.1 90 90 A I B > -I 93 0C 1 3,-0.6 3,-2.3 -3,-0.3 -1,-0.2 -0.904 50.4-103.5 -97.7 124.4 51.6 -10.5 46.5 91 91 A P T 3 S+ 0 0 5 0, 0.0 259,-0.2 0, 0.0 260,-0.1 -0.154 102.5 8.3 -48.8 136.6 52.4 -12.4 43.3 92 92 A G T 3 S+ 0 0 39 258,-0.1 2,-0.5 1,-0.1 255,-0.1 0.606 104.5 110.9 68.4 9.2 56.1 -12.7 42.6 93 93 A V B < +I 90 0C 11 -3,-2.3 -3,-0.6 4,-0.1 2,-0.1 -0.722 42.4 171.3-120.1 83.9 56.8 -11.1 46.0 94 94 A S > - 0 0 69 -2,-0.5 4,-3.4 -5,-0.1 5,-0.2 -0.430 47.1-105.5 -84.8 163.6 58.4 -13.7 48.4 95 95 A N H > S+ 0 0 46 43,-0.4 4,-2.7 1,-0.2 5,-0.2 0.899 123.8 47.2 -54.5 -45.6 59.8 -12.9 51.8 96 96 A Q H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.916 111.9 52.4 -63.9 -39.2 63.3 -13.2 50.6 97 97 A F H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.953 111.6 45.1 -60.9 -48.8 62.4 -11.1 47.6 98 98 A F H X S+ 0 0 1 -4,-3.4 4,-2.7 2,-0.2 5,-0.2 0.908 112.1 51.2 -61.1 -44.9 61.0 -8.4 49.8 99 99 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.938 109.2 51.0 -58.4 -49.3 63.9 -8.5 52.2 100 100 A Q H X S+ 0 0 13 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.901 113.3 45.6 -56.0 -42.1 66.4 -8.2 49.4 101 101 A T H X S+ 0 0 11 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.850 111.9 50.4 -74.1 -30.6 64.5 -5.2 48.1 102 102 A A H X S+ 0 0 4 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.912 112.4 49.0 -70.4 -38.5 64.2 -3.6 51.5 103 103 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 -5,-0.2 3,-0.4 0.947 111.3 48.7 -64.7 -46.5 67.9 -4.1 51.9 104 104 A N H X S+ 0 0 24 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.856 107.6 53.7 -63.5 -36.5 68.7 -2.6 48.5 105 105 A A H X S+ 0 0 4 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.818 111.6 47.0 -67.1 -29.9 66.5 0.5 49.1 106 106 A V H X S+ 0 0 9 -4,-1.3 4,-1.7 -3,-0.4 -2,-0.2 0.862 111.3 50.9 -77.5 -37.8 68.4 1.1 52.3 107 107 A R H <>S+ 0 0 31 -4,-2.2 5,-2.5 2,-0.2 -2,-0.2 0.920 112.4 46.9 -64.4 -44.2 71.7 0.6 50.5 108 108 A S H ><5S+ 0 0 70 -4,-2.9 3,-2.3 2,-0.2 -2,-0.2 0.941 108.8 52.8 -62.3 -51.0 70.7 3.1 47.8 109 109 A Y H 3<5S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.897 112.5 47.8 -51.1 -41.1 69.5 5.7 50.3 110 110 A R T 3<5S- 0 0 60 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.470 114.6-119.6 -80.1 -3.4 72.9 5.3 51.9 111 111 A G T < 5 + 0 0 71 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.550 69.2 136.8 75.4 6.1 74.7 5.6 48.6 112 112 A Q < - 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0 0 21 -5,-2.7 -1,-0.2 -6,-0.2 4,-0.1 -0.622 49.4 -85.8 -94.1 152.7 68.4 -20.1 62.3 134 134 A P > - 0 0 35 0, 0.0 3,-1.1 0, 0.0 4,-0.1 -0.245 37.7-131.1 -52.9 142.2 66.5 -22.7 60.2 135 135 A E T 3 S+ 0 0 182 1,-0.3 3,-0.3 2,-0.1 -7,-0.1 0.777 104.5 47.6 -73.3 -22.8 67.6 -22.5 56.6 136 136 A D T >> S+ 0 0 81 1,-0.2 4,-3.6 2,-0.1 3,-0.9 -0.147 73.9 128.0-105.9 38.0 64.2 -22.4 55.1 137 137 A L T <4 + 0 0 3 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.876 69.2 53.3 -59.8 -41.9 63.0 -19.8 57.6 138 138 A L T 34 S+ 0 0 12 -3,-0.3 -43,-0.4 1,-0.2 -1,-0.2 0.645 124.3 26.0 -71.0 -13.8 61.7 -17.4 54.9 139 139 A T T <4 S+ 0 0 111 -3,-0.9 -2,-0.2 -44,-0.1 -1,-0.2 0.643 97.7 98.8-119.6 -26.7 59.5 -20.2 53.4 140 140 A R < - 0 0 84 -4,-3.6 2,-0.3 -6,-0.1 -3,-0.0 -0.017 53.9-152.1 -61.4 170.8 58.8 -22.7 56.2 141 141 A S - 0 0 112 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.930 12.8-161.5-138.3 157.3 55.5 -22.8 58.2 142 142 A V - 0 0 52 -2,-0.3 5,-0.0 5,-0.0 2,-0.0 -0.976 23.2 -93.6-147.2 160.8 55.0 -24.0 61.8 143 143 A N >> - 0 0 128 -2,-0.3 3,-2.5 1,-0.1 4,-0.6 -0.292 44.6-107.4 -68.4 154.1 52.4 -25.2 64.4 144 144 A V H >> S+ 0 0 118 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.824 115.7 71.4 -51.8 -34.9 50.9 -22.6 66.8 145 145 A G H 34 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.812 110.4 32.1 -52.3 -29.7 53.0 -24.1 69.6 146 146 A F H <> S+ 0 0 130 -3,-2.5 4,-2.2 1,-0.1 -1,-0.3 0.353 92.1 104.4-107.2 -0.2 56.0 -22.5 67.9 147 147 A S H X S+ 0 0 35 -4,-0.6 4,-1.3 1,-0.2 3,-0.5 0.913 115.2 40.7 -48.2 -55.6 55.4 -16.9 69.0 149 149 A G H 3> S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.814 107.4 63.2 -66.6 -29.9 59.1 -17.7 68.6 150 150 A E H 3X S+ 0 0 19 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.852 102.0 52.6 -62.8 -32.7 58.8 -18.1 64.9 151 151 A K H < S+ 0 0 3 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.919 117.5 48.0 -63.2 -40.3 70.9 -9.0 61.2 161 161 A V H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.869 106.0 53.1 -69.3 -43.1 70.3 -8.6 57.4 162 162 A L H 3< S- 0 0 16 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.534 96.7-132.1 -75.9 -4.5 69.5 -4.9 57.2 163 163 A E << - 0 0 51 -4,-0.6 2,-0.2 -3,-0.5 -3,-0.1 0.987 34.2-170.4 54.6 70.4 72.6 -3.7 59.0 164 164 A P - 0 0 7 0, 0.0 3,-0.2 0, 0.0 -84,-0.2 -0.646 26.0-157.8 -94.6 158.6 70.9 -1.3 61.3 165 165 A E S S+ 0 0 64 -86,-2.2 32,-2.9 1,-0.3 2,-0.5 0.823 88.2 30.2 -95.1 -41.0 72.7 1.2 63.6 166 166 A L E S-fg 80 197B 0 -87,-1.6 -85,-2.3 30,-0.2 2,-0.5 -0.943 75.2-163.4-124.0 110.0 69.9 1.6 66.1 167 167 A C E -fg 81 198B 0 30,-2.7 32,-3.0 -2,-0.5 2,-0.6 -0.815 1.4-162.8 -98.1 127.4 67.6 -1.3 66.7 168 168 A I E -fg 82 199B 2 -87,-2.7 -85,-0.6 -2,-0.5 2,-0.5 -0.933 9.0-175.9-109.6 119.2 64.2 -0.8 68.4 169 169 A L E - g 0 200B 12 30,-2.8 32,-3.1 -2,-0.6 2,-0.9 -0.972 12.6-156.7-119.9 121.4 62.6 -3.9 69.7 170 170 A D E + g 0 201B 41 -2,-0.5 32,-0.2 30,-0.2 3,-0.1 -0.849 26.5 157.4-101.5 103.9 59.1 -3.7 71.3 171 171 A E + 0 0 8 30,-3.3 33,-0.2 -2,-0.9 -1,-0.1 -0.147 34.4 117.2-113.8 33.3 58.7 -6.6 73.6 172 172 A S + 0 0 35 30,-0.1 2,-0.4 32,-0.1 -1,-0.1 0.182 45.3 117.8 -87.3 18.5 56.0 -5.1 75.8 173 173 A D - 0 0 76 -3,-0.1 3,-0.5 1,-0.0 2,-0.1 -0.718 57.9-138.0 -89.3 133.8 53.6 -7.9 74.7 174 174 A S S S+ 0 0 110 -2,-0.4 3,-0.1 1,-0.2 31,-0.1 -0.383 77.5 37.1 -88.8 166.5 52.2 -10.2 77.3 175 175 A G S S+ 0 0 75 1,-0.2 -1,-0.2 29,-0.2 2,-0.1 0.700 79.6 164.1 68.8 17.9 51.8 -13.9 77.3 176 176 A L - 0 0 38 -3,-0.5 -1,-0.2 1,-0.1 2,-0.1 -0.381 39.5-110.7 -69.5 144.9 55.0 -14.3 75.4 177 177 A D > - 0 0 32 1,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.362 11.9-130.3 -72.9 155.2 56.6 -17.7 75.2 178 178 A I H > S+ 0 0 93 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.711 113.7 59.2 -76.1 -20.4 59.9 -18.3 77.0 179 179 A D H > S+ 0 0 98 2,-0.2 4,-1.6 1,-0.1 3,-0.3 0.945 106.3 45.6 -70.2 -48.0 61.0 -19.7 73.6 180 180 A A H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.933 109.2 54.7 -58.4 -50.5 60.3 -16.4 72.0 181 181 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.803 107.0 52.8 -54.9 -33.1 62.1 -14.4 74.7 182 182 A K H X S+ 0 0 116 -4,-1.2 4,-3.2 -3,-0.3 5,-0.3 0.885 102.2 55.5 -75.1 -38.0 65.2 -16.5 74.2 183 183 A V H X S+ 0 0 16 -4,-1.6 4,-2.1 -3,-0.3 -1,-0.2 0.845 111.9 45.6 -64.5 -29.0 65.4 -16.0 70.4 184 184 A V H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.888 113.2 47.8 -78.6 -40.3 65.4 -12.2 71.1 185 185 A A H X S+ 0 0 1 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.951 118.0 43.2 -63.6 -47.2 68.0 -12.4 73.9 186 186 A D H X S+ 0 0 66 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.908 112.3 52.9 -65.1 -42.1 70.1 -14.6 71.7 187 187 A G H X S+ 0 0 2 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.938 110.2 47.1 -60.5 -48.0 69.6 -12.5 68.6 188 188 A V H < S+ 0 0 0 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.915 111.7 50.7 -61.6 -42.4 70.7 -9.3 70.3 189 189 A N H >< S+ 0 0 68 -4,-2.1 3,-1.3 -5,-0.2 -2,-0.2 0.959 110.9 49.8 -61.4 -46.2 73.7 -11.0 71.8 190 190 A S H 3< S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.850 117.6 38.6 -58.4 -39.2 74.7 -12.4 68.4 191 191 A L T 3< S+ 0 0 9 -4,-2.1 2,-2.0 -5,-0.2 -1,-0.3 0.266 85.1 114.7 -96.8 10.6 74.4 -8.9 66.7 192 192 A R < + 0 0 72 -3,-1.3 -1,-0.1 -4,-0.4 -4,-0.1 -0.401 37.6 155.0 -83.0 63.8 75.8 -7.1 69.6 193 193 A D - 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0 0 72 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 -0.383 13.2-179.1 -58.2 103.8 19.4 -24.1 -2.1 913 178 D I H > S+ 0 0 129 -2,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.874 82.0 49.9 -74.6 -36.8 22.5 -23.0 -3.8 914 179 D D H > S+ 0 0 76 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.882 112.8 47.4 -67.2 -39.4 23.9 -21.3 -0.7 915 180 D A H >> S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 3,-1.1 0.955 112.2 47.3 -67.5 -51.4 23.2 -24.5 1.4 916 181 D L H 3X S+ 0 0 44 -4,-2.2 4,-2.5 1,-0.3 5,-0.3 0.873 108.4 59.0 -56.3 -35.7 24.8 -26.8 -1.2 917 182 D K H 3X S+ 0 0 117 -4,-1.8 4,-1.2 1,-0.2 -1,-0.3 0.796 105.5 47.4 -63.8 -30.6 27.6 -24.4 -1.2 918 183 D V H < S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.924 110.8 48.7 -51.9 -49.2 33.5 -31.6 3.1 924 189 D N H >< S+ 0 0 63 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.916 111.1 50.5 -58.2 -41.5 36.5 -30.0 1.4 925 190 D S H 3< S+ 0 0 47 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.667 113.9 47.3 -70.1 -14.8 37.5 -28.5 4.7 926 191 D L T << S+ 0 0 10 -4,-1.2 2,-1.0 -3,-1.1 -1,-0.3 0.071 79.7 112.1-115.5 23.8 37.2 -31.9 6.2 927 192 D R < + 0 0 79 -3,-1.3 -1,-0.1 -5,-0.1 -163,-0.0 -0.684 30.6 147.6-101.8 82.7 39.1 -34.0 3.7 928 193 D D - 0 0 85 -2,-1.0 -2,-0.1 4,-0.0 -1,-0.0 0.474 65.1 -89.4 -81.2-127.3 42.2 -35.3 5.4 929 194 D G S S+ 0 0 53 3,-0.0 -2,-0.1 -166,-0.0 -166,-0.0 0.479 116.6 48.9-127.1 -6.5 43.4 -38.7 4.3 930 195 D K S S+ 0 0 132 -169,-0.2 2,-0.3 -168,-0.1 -167,-0.1 0.653 89.8 85.4-108.0 -21.2 41.6 -41.0 6.6 931 196 D R - 0 0 41 -170,-0.3 2,-0.3 -169,-0.1 -30,-0.2 -0.603 57.4-161.2 -87.0 143.3 38.0 -39.8 6.5 932 197 D S E - g 0 901J 0 -32,-2.5 -30,-2.4 -2,-0.3 2,-0.4 -0.900 1.5-157.6-122.1 151.7 35.6 -41.0 3.9 933 198 D F E -dg 764 902J 1 -170,-2.4 -168,-3.0 -2,-0.3 2,-0.5 -0.983 11.7-161.7-133.7 143.8 32.3 -39.5 2.8 934 199 D I E -dg 765 903J 0 -32,-2.3 -30,-3.4 -2,-0.4 2,-0.6 -0.949 16.7-172.7-122.9 102.8 29.2 -40.8 1.0 935 200 D I E -dg 766 904J 12 -170,-2.7 -168,-3.0 -2,-0.5 2,-0.4 -0.887 4.8-163.0-101.2 122.1 27.2 -37.9 -0.4 936 201 D V E +dg 767 905J 0 -32,-4.2 -30,-3.0 -2,-0.6 2,-0.3 -0.878 21.7 157.1-103.6 137.7 23.9 -38.9 -1.9 937 202 D T E -dg 768 906J 11 -170,-2.3 -168,-0.6 -2,-0.4 -30,-0.3 -0.955 37.3-168.3-162.7 139.5 22.3 -36.4 -4.2 938 203 D H S S+ 0 0 88 -32,-0.5 2,-2.0 -2,-0.3 -31,-0.1 0.858 86.5 68.7 -92.8 -45.3 19.7 -36.2 -7.0 939 204 D Y S > S- 0 0 65 -33,-0.4 2,-1.2 1,-0.1 3,-0.8 -0.509 79.4-157.3 -75.9 79.5 20.6 -32.6 -8.1 940 205 D Q T 3 + 0 0 54 -2,-2.0 -1,-0.1 1,-0.2 -172,-0.0 -0.433 62.6 95.0 -62.9 94.7 24.0 -33.4 -9.6 941 206 D R T > + 0 0 64 -2,-1.2 3,-1.2 -25,-0.0 -1,-0.2 0.350 64.6 70.0-150.3 -36.6 25.6 -30.0 -9.4 942 207 D I T X> S+ 0 0 20 -3,-0.8 3,-1.3 1,-0.3 4,-0.8 0.608 86.3 76.6 -65.7 -10.7 27.5 -30.0 -6.1 943 208 D L H >> S+ 0 0 25 1,-0.3 4,-2.4 2,-0.2 3,-1.1 0.932 90.5 51.8 -64.1 -44.9 29.8 -32.5 -7.9 944 209 D D H <4 S+ 0 0 103 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.021 108.9 57.2 -79.7 28.7 31.3 -29.5 -9.8 945 210 D Y H <4 S+ 0 0 42 -3,-1.3 -1,-0.2 -29,-0.0 -2,-0.2 0.477 120.3 17.0-131.1 -20.4 31.8 -28.1 -6.3 946 211 D I H << S- 0 0 12 -3,-1.1 -2,-0.2 -4,-0.8 -3,-0.1 0.569 86.6-132.1-128.8 -20.7 33.9 -30.7 -4.5 947 212 D K < - 0 0 46 -4,-2.4 -183,-0.1 -5,-0.2 -3,-0.1 0.996 28.7-141.3 60.1 75.4 35.4 -33.0 -7.2 948 213 D P - 0 0 2 0, 0.0 17,-0.3 0, 0.0 -183,-0.2 -0.073 10.8-132.6 -60.2 164.0 34.6 -36.5 -5.8 949 214 D D S S+ 0 0 59 -185,-2.6 2,-0.3 1,-0.3 -184,-0.2 0.814 91.9 14.4 -87.4 -34.8 37.0 -39.3 -6.0 950 215 D Y E -e 765 0J 98 -186,-1.9 -184,-2.7 14,-0.1 2,-0.4 -0.948 63.9-161.1-138.5 156.3 34.3 -41.6 -7.3 951 216 D V E -eH 766 963J 5 12,-1.7 12,-1.1 -2,-0.3 2,-0.4 -0.997 8.4-166.0-138.1 132.3 30.7 -41.2 -8.6 952 217 D H E -eH 767 962J 10 -186,-3.0 -184,-2.5 -2,-0.4 2,-0.6 -0.971 13.4-142.0-124.1 137.3 28.1 -43.9 -8.7 953 218 D V E -eH 768 961J 7 8,-3.1 7,-3.8 -2,-0.4 8,-0.7 -0.870 18.4-156.2 -99.8 120.6 24.9 -43.8 -10.6 954 219 D L E + H 0 959J 1 -186,-3.2 2,-0.4 -2,-0.6 5,-0.2 -0.834 19.7 165.1-101.9 128.8 22.0 -45.4 -8.8 955 220 D Y E > S- H 0 958J 112 3,-2.1 3,-0.8 -2,-0.5 -184,-0.1 -0.972 70.9 -16.0-142.9 125.7 19.0 -46.9 -10.6 956 221 D Q T 3 S- 0 0 94 -2,-0.4 -203,-0.3 1,-0.2 -182,-0.2 0.910 129.2 -47.6 43.9 57.6 16.4 -49.2 -9.0 957 222 D G T 3 S+ 0 0 0 -184,-4.2 -204,-0.8 -205,-0.2 2,-0.3 0.713 118.9 100.0 62.0 28.0 18.6 -50.1 -6.0 958 223 D R E < S-H 955 0J 110 -3,-0.8 -3,-2.1 -185,-0.3 2,-0.5 -0.986 75.8-121.6-147.5 131.9 21.8 -50.8 -8.1 959 224 D I E -H 954 0J 27 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.598 34.1-179.0 -66.8 118.0 24.9 -48.9 -8.9 960 225 D V E - 0 0 73 -7,-3.8 2,-0.3 -2,-0.5 -1,-0.2 0.836 60.8 -3.2 -90.7 -37.2 24.6 -49.0 -12.7 961 226 D K E +H 953 0J 75 -8,-0.7 -8,-3.1 2,-0.0 -1,-0.3 -0.978 63.4 175.6-151.5 155.5 27.8 -47.1 -13.6 962 227 D S E +H 952 0J 61 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.2 -0.921 12.4 136.5-166.8 141.0 30.7 -45.4 -11.8 963 228 D G E -H 951 0J 16 -12,-1.1 -12,-1.7 1,-0.4 -2,-0.0 -0.611 55.0 -48.6-152.9-146.1 34.0 -43.7 -12.4 964 229 D D S > S- 0 0 84 -14,-0.2 3,-0.6 -2,-0.2 -1,-0.4 0.171 74.7 -75.0 -83.4-154.2 36.0 -40.6 -11.4 965 230 D F T 3 S+ 0 0 116 -17,-0.3 4,-0.1 1,-0.2 3,-0.1 0.307 131.0 64.0 -89.8 9.0 34.6 -37.0 -11.2 966 231 D T T >> S+ 0 0 58 1,-0.1 4,-2.2 2,-0.1 3,-1.6 0.547 70.6 98.7-102.1 -16.0 34.8 -36.9 -15.0 967 232 D L H <> S+ 0 0 3 -3,-0.6 4,-2.2 1,-0.3 5,-0.2 0.813 75.8 61.6 -39.9 -41.4 32.3 -39.7 -15.3 968 233 D V H 3> S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.926 110.8 38.5 -54.8 -46.1 29.7 -37.0 -16.0 969 234 D K H <> S+ 0 0 42 -3,-1.6 4,-1.3 2,-0.2 5,-0.2 0.927 110.5 57.2 -71.6 -48.0 31.6 -35.9 -19.1 970 235 D Q H X S+ 0 0 70 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.866 110.0 48.6 -51.6 -37.1 32.6 -39.4 -20.3 971 236 D L H X>S+ 0 0 10 -4,-2.2 5,-2.8 -5,-0.3 4,-0.9 0.946 107.9 50.7 -69.9 -48.7 28.9 -40.2 -20.3 972 237 D E H <5S+ 0 0 144 -4,-1.7 -1,-0.2 4,-0.3 -2,-0.2 0.647 116.6 45.1 -63.6 -13.8 27.7 -37.1 -22.2 973 238 D E H <5S+ 0 0 159 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.736 109.0 51.8 -99.1 -31.5 30.4 -38.0 -24.7 974 239 D Q H <5S- 0 0 109 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.1 0.526 123.9-103.0 -82.6 -3.7 29.7 -41.8 -25.0 975 240 D G T <5S+ 0 0 47 -4,-0.9 -3,-0.2 -5,-0.1 -4,-0.1 0.905 98.6 100.4 83.4 46.5 26.1 -40.8 -25.6 976 241 D Y > < + 0 0 114 -5,-2.8 3,-1.4 -6,-0.1 -4,-0.3 0.001 29.6 128.2-147.7 27.9 24.6 -41.5 -22.2 977 242 D G T 3 + 0 0 36 -6,-0.5 -5,-0.2 1,-0.3 -6,-0.1 0.756 63.2 73.5 -60.1 -25.6 24.4 -38.1 -20.6 978 243 D W T 3 0 0 193 1,-0.3 -1,-0.3 -7,-0.2 -6,-0.0 0.793 360.0 360.0 -59.9 -29.8 20.7 -38.7 -19.8 979 244 D L < 0 0 65 -3,-1.4 -1,-0.3 -8,-0.1 -2,-0.1 0.702 360.0 360.0 -48.7 360.0 21.8 -41.1 -17.0