==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-SEP-01 1JXA . COMPND 2 MOLECULE: GLUCOSAMINE 6-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.TEPLYAKOV,G.OBMOLOVA,B.BADET,M.A.BADET-DENISOT . 1824 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1231 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 7.6 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.5 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 . 4 0.2 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 . 181 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 258 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 448 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.0 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 5 5 1 4 5 9 3 4 2 4 1 2 3 0 0 1 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 4 5 2 4 5 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 . 13 9 13 5 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 5 3 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 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 C 0 0 23 0, 0.0 2,-0.5 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0-140.5 -28.4 5.7 -1.4 2 2 A G B +A 72 0A 0 70,-0.5 70,-1.8 21,-0.1 2,-0.4 -0.936 360.0 166.2-106.0 120.5 -31.5 7.1 0.4 3 3 A I - 0 0 0 -2,-0.5 188,-1.2 68,-0.2 2,-0.3 -0.952 8.5-176.7-138.1 118.2 -35.0 6.4 -0.9 4 4 A V E -D 190 0B 0 -2,-0.4 66,-1.4 186,-0.2 2,-0.3 -0.783 4.8-170.8-116.8 156.2 -38.3 7.0 1.0 5 5 A G E -DE 189 69B 0 184,-2.4 184,-3.8 -2,-0.3 64,-0.2 -0.865 3.8-178.8-155.2 116.7 -41.9 6.4 0.4 6 6 A A E +DE 188 68B 0 62,-1.7 62,-0.5 -2,-0.3 182,-0.2 -0.581 10.9 167.9-101.8 167.4 -45.2 7.4 2.0 7 7 A I E +DE 187 67B 0 180,-1.0 180,-0.9 -2,-0.2 60,-0.2 -0.241 35.5 126.3-174.9 68.5 -48.8 6.5 1.1 8 8 A A - 0 0 4 58,-1.1 208,-0.1 2,-0.3 4,-0.1 -0.179 68.2-105.4-115.2-154.0 -51.0 7.5 4.1 9 9 A Q S S+ 0 0 160 2,-0.1 3,-0.1 -2,-0.1 58,-0.1 0.684 98.3 67.9-112.5 -37.9 -54.1 9.7 4.5 10 10 A R S S- 0 0 127 1,-0.2 -2,-0.3 56,-0.1 2,-0.2 -0.184 110.5 -71.3 -64.1 178.1 -52.4 12.6 6.1 11 11 A D - 0 0 90 1,-0.1 55,-0.3 55,-0.1 -1,-0.2 -0.510 45.4-161.8 -69.6 134.4 -50.0 14.8 4.2 12 12 A V >> + 0 0 0 53,-2.0 4,-2.8 -2,-0.2 3,-0.8 0.509 64.1 86.4-102.8 -5.5 -46.9 12.8 3.6 13 13 A A H 3>>S+ 0 0 10 50,-0.4 4,-2.7 52,-0.4 5,-0.5 0.984 82.0 54.1 -57.3 -66.6 -44.3 15.5 2.7 14 14 A E H 345S+ 0 0 170 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.539 117.6 44.6 -57.7 3.7 -42.9 16.6 6.1 15 15 A I H X>5S+ 0 0 21 -3,-0.8 4,-2.5 2,-0.1 3,-2.5 0.706 108.8 51.2-103.4 -68.0 -42.2 12.9 6.6 16 16 A L H 3X5S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.3 -2,-0.2 0.871 113.1 49.0 -29.1 -61.7 -40.8 12.2 3.1 17 17 A L H 3X5S+ 0 0 11 -4,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.809 112.9 48.8 -56.4 -28.3 -38.4 15.2 3.9 18 18 A E H <>< S+ 0 0 2 -4,-2.5 3,-0.6 2,-0.2 -2,-0.2 0.948 111.9 48.5 -44.3 -51.5 -36.9 10.2 5.8 20 20 A L H >< S+ 0 0 0 -4,-2.4 3,-5.5 -5,-0.3 4,-0.2 0.978 104.7 54.7 -54.5 -67.1 -34.4 12.0 3.6 21 21 A R H >< S+ 0 0 84 -4,-2.1 3,-1.2 1,-0.3 -1,-0.3 0.846 108.8 52.1 -34.1 -37.5 -32.8 13.9 6.3 22 22 A R T << S+ 0 0 53 -4,-2.3 -1,-0.3 -3,-0.6 -2,-0.2 0.217 114.9 41.4 -97.0 18.8 -32.3 10.5 8.0 23 23 A L T < S+ 0 0 3 -3,-5.5 -1,-0.3 -5,-0.2 -2,-0.2 -0.028 79.4 108.1-138.1 29.8 -30.7 9.2 4.8 24 24 A E S X S+ 0 0 37 -3,-1.2 3,-1.3 -4,-0.2 -2,-0.1 0.801 76.2 59.1 -73.5 -23.1 -28.7 12.3 4.0 25 25 A Y T 3 S+ 0 0 39 1,-0.3 578,-0.2 -4,-0.2 -1,-0.2 0.925 96.3 58.7 -72.1 -41.3 -25.5 10.3 5.0 26 26 A R T 3 S- 0 0 32 1,-0.2 -1,-0.3 576,-0.1 2,-0.2 0.475 132.0 -8.1 -67.6 8.6 -26.1 7.7 2.4 27 27 A G < + 0 0 0 -3,-1.3 47,-0.3 -26,-0.2 -1,-0.2 -0.650 58.3 177.4 161.2 126.8 -26.0 10.5 -0.1 28 28 A Y + 0 0 15 573,-0.3 46,-0.2 45,-0.3 3,-0.1 0.202 57.7 81.7-148.8 36.3 -25.9 14.3 -0.0 29 29 A D S S+ 0 0 47 44,-3.6 20,-5.4 1,-0.3 2,-0.3 0.882 97.2 11.8 -99.0 -63.3 -25.6 16.0 -3.4 30 30 A S E +B 48 0A 2 18,-0.3 43,-1.6 43,-0.3 -1,-0.3 -0.832 65.8 170.5-117.3 157.6 -29.1 16.1 -4.8 31 31 A A E +BC 47 72A 1 16,-1.6 16,-1.5 -2,-0.3 41,-0.2 -0.880 4.7 150.2-145.8-177.0 -32.6 15.5 -3.3 32 32 A G - 0 0 0 39,-0.8 14,-0.2 -2,-0.3 2,-0.2 -0.267 23.0-139.5 147.6 136.9 -36.3 15.8 -3.8 33 33 A L - 0 0 0 37,-0.2 12,-1.5 -2,-0.1 2,-0.3 -0.502 7.1-152.5 -98.8 169.7 -39.8 14.4 -3.1 34 34 A A E +FG 44 69B 0 35,-1.1 35,-1.6 10,-0.2 2,-0.2 -0.836 22.7 165.7-138.7 109.2 -42.9 13.9 -5.2 35 35 A V E -FG 43 68B 0 8,-0.7 8,-0.6 -2,-0.3 2,-0.3 -0.693 17.7-154.8-108.9 171.8 -46.2 14.0 -3.6 36 36 A V E -FG 42 67B 2 31,-1.3 30,-1.2 -2,-0.2 31,-0.7 -0.993 11.9-134.4-140.5 142.3 -49.8 14.2 -5.0 37 37 A D - 0 0 32 4,-1.1 3,-0.3 -2,-0.3 28,-0.1 -0.278 42.0 -86.3 -85.2 177.7 -53.0 15.5 -3.4 38 38 A A S S+ 0 0 99 1,-0.2 -1,-0.0 2,-0.1 27,-0.0 0.929 124.3 54.8 -41.7 -66.8 -56.4 13.8 -3.6 39 39 A E S S- 0 0 182 1,-0.1 -1,-0.2 2,-0.0 -3,-0.0 0.826 121.4-101.0 -40.9 -49.6 -57.5 15.3 -6.9 40 40 A G + 0 0 25 -3,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.342 63.5 155.0 139.2 -4.9 -54.3 14.0 -8.7 41 41 A H - 0 0 125 -5,-0.1 -4,-1.1 123,-0.1 -1,-0.2 -0.328 33.3-147.2 -58.4 109.9 -52.0 17.1 -8.9 42 42 A M E -F 36 0B 38 -2,-0.4 -6,-0.2 -6,-0.2 -5,-0.1 -0.240 13.6-169.8 -65.6 166.5 -48.5 15.7 -9.1 43 43 A T E -F 35 0B 33 -8,-0.6 -8,-0.7 20,-0.1 -10,-0.1 -0.125 4.7-177.9-161.3 62.8 -45.8 17.8 -7.5 44 44 A R E -F 34 0B 100 -10,-0.2 2,-0.3 -12,-0.0 -10,-0.2 -0.158 7.6-175.3 -58.8 148.5 -42.2 16.8 -8.2 45 45 A L + 0 0 29 -12,-1.5 2,-0.3 42,-0.0 9,-0.1 -0.926 8.3 176.3-157.5 128.8 -39.4 18.7 -6.6 46 46 A R + 0 0 68 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.967 1.6 178.4-132.4 145.3 -35.6 18.7 -6.8 47 47 A R E -B 31 0A 75 -16,-1.5 -16,-1.6 -2,-0.3 2,-0.2 -0.968 29.4-124.8-147.2 136.2 -32.7 20.7 -5.4 48 48 A L E S+B 30 0A 69 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.536 78.2 32.9 -67.8 136.6 -28.9 20.5 -5.6 49 49 A G S S- 0 0 23 -20,-5.4 -2,-0.1 -2,-0.2 5,-0.0 -0.759 99.8 -10.1 130.0-168.6 -27.7 20.3 -2.1 50 50 A K S >> S- 0 0 61 -2,-0.3 4,-0.6 1,-0.1 3,-0.6 -0.113 74.3-100.2 -61.3 170.8 -28.3 19.1 1.3 51 51 A V H >> S+ 0 0 4 1,-0.2 3,-2.8 2,-0.2 4,-1.8 0.957 124.3 66.2 -63.5 -38.0 -31.7 17.8 1.9 52 52 A Q H 3> S+ 0 0 86 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.772 85.0 67.5 -52.3 -34.5 -32.4 21.2 3.5 53 53 A M H <> S+ 0 0 75 -3,-0.6 4,-0.6 2,-0.2 -1,-0.3 0.860 109.4 39.6 -52.7 -36.1 -32.0 22.8 0.2 54 54 A L H X< S+ 0 0 0 -3,-2.8 3,-1.3 -4,-0.6 -2,-0.2 0.937 108.6 60.5 -69.0 -60.6 -35.3 20.9 -0.6 55 55 A A H >X S+ 0 0 3 -4,-1.8 4,-1.9 1,-0.3 3,-1.9 0.892 107.9 45.2 -33.1 -60.8 -36.8 21.5 2.8 56 56 A Q H 3X S+ 0 0 98 -4,-2.8 4,-1.5 1,-0.3 -1,-0.3 0.844 107.7 57.6 -59.1 -32.3 -36.6 25.1 2.1 57 57 A A H << S+ 0 0 3 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.110 108.5 50.3 -85.0 23.2 -38.0 24.6 -1.4 58 58 A A H X4 S+ 0 0 8 -3,-1.9 3,-1.2 2,-0.1 -2,-0.2 0.587 102.9 53.9-119.1 -46.7 -40.9 23.0 0.3 59 59 A E H 3< S+ 0 0 148 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.865 109.4 52.5 -53.9 -38.7 -41.8 25.7 2.8 60 60 A E T 3< S+ 0 0 140 -4,-1.5 -1,-0.3 1,-0.2 -3,-0.1 0.785 128.9 18.4 -67.2 -26.2 -41.9 28.1 -0.1 61 61 A H S < S- 0 0 136 -3,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 -0.386 85.2-149.5-149.3 60.0 -44.3 25.7 -1.9 62 62 A P - 0 0 79 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 0.109 12.2-139.9 -42.5 139.7 -46.0 23.3 0.5 63 63 A L - 0 0 10 2,-0.1 2,-0.4 -27,-0.0 -50,-0.4 -0.927 12.5-159.3-112.9 116.8 -46.9 20.0 -1.1 64 64 A H + 0 0 104 -2,-0.6 2,-0.3 -29,-0.1 -53,-0.1 -0.829 39.6 100.1-103.2 138.3 -50.1 18.4 -0.3 65 65 A G - 0 0 5 -2,-0.4 -53,-2.0 -28,-0.1 -52,-0.4 -0.911 57.0-137.5 166.2 168.8 -50.7 14.7 -0.9 66 66 A G S S+ 0 0 12 -30,-1.2 -58,-1.1 -2,-0.3 2,-0.4 0.074 93.5 69.7-137.5 13.3 -50.7 11.5 1.0 67 67 A T E +EG 7 36B 10 -31,-0.7 -31,-1.3 -60,-0.2 2,-0.3 -0.891 66.1 135.2-136.0 103.7 -48.8 9.8 -1.7 68 68 A G E -EG 6 35B 0 -62,-0.5 -62,-1.7 -2,-0.4 2,-0.4 -0.958 34.2-158.2-141.2 164.1 -45.2 10.8 -2.2 69 69 A I E -EG 5 34B 0 -35,-1.6 -35,-1.1 -2,-0.3 -64,-0.2 -0.968 16.3-176.2-144.8 128.7 -41.8 9.4 -2.7 70 70 A A - 0 0 0 -66,-1.4 -37,-0.2 -2,-0.4 2,-0.1 -0.097 0.5-173.9-105.2-155.4 -38.6 11.3 -1.9 71 71 A H - 0 0 2 -68,-0.2 -39,-0.8 -55,-0.1 2,-0.2 -0.459 14.1-153.3 156.9 123.2 -34.9 10.6 -2.4 72 72 A T B -AC 2 31A 2 -70,-1.8 -70,-0.5 -41,-0.2 2,-0.3 -0.651 28.3-151.5-100.7 174.8 -31.4 11.9 -1.5 73 73 A R - 0 0 24 -43,-1.6 -44,-3.6 -2,-0.2 2,-0.6 -0.976 31.4-140.4-152.1 160.7 -28.3 11.2 -3.6 74 74 A W - 0 0 29 -47,-0.3 2,-1.1 -2,-0.3 528,-0.1 -0.969 28.7-154.9-105.8 105.4 -24.5 10.7 -4.3 75 75 A A + 0 0 18 -2,-0.6 4,-0.1 1,-0.2 6,-0.1 -0.746 31.9 156.0 -87.2 107.1 -23.9 12.5 -7.6 76 76 A T + 0 0 82 -2,-1.1 -1,-0.2 1,-0.1 3,-0.1 0.886 65.3 40.8 -99.4 -77.2 -20.9 10.6 -8.7 77 77 A H S S- 0 0 117 1,-0.2 2,-0.7 0, 0.0 -1,-0.1 0.360 105.7-135.2 -53.0 12.5 -20.4 10.6 -12.4 78 78 A G + 0 0 29 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.555 41.5 159.3 74.7-110.5 -21.4 14.3 -11.9 79 79 A E - 0 0 86 -2,-0.7 2,-0.5 -3,-0.1 -1,-0.1 0.445 65.3 -39.8 69.3 154.6 -23.9 15.3 -14.6 80 80 A P >> - 0 0 73 0, 0.0 4,-2.8 0, 0.0 3,-0.8 -0.231 68.0-156.7 -49.0 96.4 -26.4 18.1 -14.6 81 81 A S T 34 S+ 0 0 35 -2,-0.5 -34,-0.1 1,-0.2 -52,-0.0 0.844 83.7 41.8 -55.0 -39.9 -27.2 17.5 -11.0 82 82 A E T 34 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.645 118.0 48.6 -83.8 -14.6 -30.8 19.1 -10.8 83 83 A V T <4 S+ 0 0 77 -3,-0.8 -2,-0.2 1,-0.1 -1,-0.2 0.831 115.6 42.5 -85.6 -42.2 -31.7 17.6 -14.2 84 84 A N S < S+ 0 0 2 -4,-2.8 2,-0.3 -5,-0.1 -2,-0.2 0.031 93.4 116.1 -94.5 24.6 -30.5 14.1 -13.2 85 85 A A - 0 0 2 -3,-0.2 -3,-0.1 2,-0.1 -37,-0.0 -0.717 65.8 -76.3 -96.5 143.6 -32.0 14.3 -9.8 86 86 A H S S+ 0 0 2 -2,-0.3 2,-0.1 -15,-0.1 10,-0.1 -0.636 95.9 50.1 -85.6 152.5 -34.8 12.0 -8.5 87 87 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 9,-0.2 0.492 65.6-163.6 -86.9 167.1 -37.6 11.7 -8.8 88 88 A H E -K 95 0C 15 7,-1.0 7,-1.4 -2,-0.1 2,-0.9 -0.946 12.2-142.6-114.5 134.2 -38.3 11.7 -12.6 89 89 A V E -K 94 0C 62 -2,-0.4 2,-1.9 5,-0.2 5,-0.2 -0.767 11.2-169.8-105.3 86.6 -41.7 12.2 -13.9 90 90 A S E > -K 93 0C 2 3,-2.4 3,-2.6 -2,-0.9 2,-0.5 -0.565 67.9 -76.8 -72.7 84.3 -42.4 10.0 -17.0 91 91 A E T 3 S- 0 0 137 -2,-1.9 37,-0.0 1,-0.3 72,-0.0 -0.449 118.1 -7.6 52.3-108.4 -45.6 11.8 -17.8 92 92 A H T 3 S+ 0 0 22 -2,-0.5 71,-4.7 -3,-0.1 2,-0.7 0.635 118.7 88.4 -97.1 -15.1 -47.6 10.0 -15.1 93 93 A I E < -KL 90 162C 0 -3,-2.6 -3,-2.4 69,-0.2 2,-0.4 -0.746 55.8-171.2 -84.4 116.9 -45.2 7.5 -13.8 94 94 A V E +KL 89 161C 0 67,-3.1 67,-3.1 -2,-0.7 2,-0.3 -0.862 8.8 179.6-107.5 138.4 -42.9 8.7 -11.1 95 95 A V E +K 88 0C 0 -7,-1.4 -7,-1.0 -2,-0.4 2,-0.3 -0.898 18.5 178.7-130.2 161.5 -40.0 6.6 -10.0 96 96 A V + 0 0 0 -2,-0.3 63,-1.7 -9,-0.2 2,-0.2 -0.829 17.7 175.4-155.4 125.9 -37.2 6.7 -7.5 97 97 A H - 0 0 7 61,-0.3 2,-0.4 -2,-0.3 61,-0.3 -0.689 27.7-138.4-127.4-177.6 -34.7 3.9 -7.0 98 98 A N + 0 0 2 -2,-0.2 59,-0.5 78,-0.1 2,-0.4 -0.954 68.6 23.2-137.7 111.1 -31.6 3.0 -5.2 99 99 A G S S- 0 0 26 -2,-0.4 2,-0.4 57,-0.2 57,-0.3 -0.937 86.2 -51.7 140.3-159.4 -29.0 1.2 -7.2 100 100 A I E -P 155 0D 58 55,-3.2 55,-1.8 -2,-0.4 2,-0.8 -0.994 28.6-152.7-130.1 128.2 -27.7 0.5 -10.6 101 101 A I E > -P 154 0D 0 -2,-0.4 3,-0.9 1,-0.2 53,-0.3 -0.913 12.1-167.1 -97.8 111.9 -29.7 -0.7 -13.6 102 102 A E T 3 S+ 0 0 92 51,-3.3 2,-1.1 -2,-0.8 -1,-0.2 0.995 83.7 47.7 -57.1 -76.4 -27.2 -2.6 -15.7 103 103 A N T 3> S+ 0 0 36 1,-0.2 2,-1.5 50,-0.2 4,-1.4 0.289 71.3 133.7 -51.0 16.6 -29.2 -3.0 -19.0 104 104 A H T <4 S+ 0 0 83 -2,-1.1 -1,-0.2 -3,-0.9 18,-0.1 0.250 75.2 41.0 -58.5 24.5 -29.9 0.6 -18.6 105 105 A E T > S+ 0 0 75 -2,-1.5 4,-2.3 3,-0.1 5,-0.3 0.555 101.5 58.1-134.1 -53.3 -29.0 0.7 -22.3 106 106 A P H > S+ 0 0 87 0, 0.0 4,-0.6 0, 0.0 -2,-0.2 0.667 121.1 40.0 -54.3 -14.6 -30.4 -2.2 -24.1 107 107 A L H X S+ 0 0 8 -4,-1.4 4,-1.1 2,-0.2 -3,-0.1 0.807 106.4 55.5 -96.9 -71.4 -33.6 -0.6 -22.7 108 108 A R H 4 S+ 0 0 84 -5,-0.3 4,-0.4 1,-0.2 10,-0.1 0.775 116.9 43.1 -31.9 -32.8 -33.1 3.1 -23.1 109 109 A E H X S+ 0 0 113 -4,-2.3 4,-2.5 3,-0.1 -1,-0.2 0.970 113.4 48.7 -80.1 -59.5 -32.5 2.2 -26.8 110 110 A E H X S+ 0 0 91 -4,-0.6 4,-1.0 -5,-0.3 3,-0.5 0.910 117.5 40.1 -44.4 -68.2 -35.3 -0.3 -27.3 111 111 A L H >< S+ 0 0 3 -4,-1.1 3,-3.4 1,-0.2 5,-0.2 0.863 108.5 59.1 -40.0 -94.4 -38.0 1.9 -25.7 112 112 A K H 34 S+ 0 0 96 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28,-0.0 -46,-0.1 -0.994 89.4 -2.6-144.5 137.6 23.9 58.8 67.4 949 340 B N S S+ 0 0 40 -2,-0.3 -47,-2.3 26,-0.3 -46,-2.2 0.918 87.6 162.7 43.8 59.2 26.8 59.0 64.9 950 341 B S E -o 903 0Q 5 25,-0.3 27,-0.9 -48,-0.2 28,-0.5 -0.697 36.0-127.5-102.9 155.3 24.9 57.1 62.2 951 342 B L E -oq 904 978Q 4 -48,-3.1 -46,-2.7 -2,-0.3 2,-1.0 -0.865 13.7-139.8-104.2 134.4 25.5 56.9 58.4 952 343 B M E +oq 905 979Q 0 26,-2.6 28,-2.1 -2,-0.4 2,-0.6 -0.807 24.7 178.2 -96.2 101.5 22.8 57.7 55.9 953 344 B I E -o 906 0Q 0 -48,-2.0 -46,-1.5 -2,-1.0 2,-0.7 -0.913 8.2-166.6-107.1 119.1 23.0 55.2 53.1 954 345 B T E -o 907 0Q 0 -2,-0.6 2,-0.9 -48,-0.2 28,-0.2 -0.904 4.2-160.0-111.0 111.8 20.4 55.6 50.4 955 346 B L E +o 908 0Q 1 -48,-1.2 -46,-0.5 -2,-0.7 2,-0.4 -0.764 28.6 147.5 -92.5 97.9 20.0 52.7 48.0 956 347 B S B -r 983 0R 8 26,-2.0 28,-0.9 -2,-0.9 29,-0.5 -0.923 34.4-167.5-135.3 123.8 18.2 53.8 44.7 957 348 B Q S S+ 0 0 21 -2,-0.4 27,-1.7 1,-0.2 28,-0.9 0.985 101.8 40.3 -60.4 -69.0 18.7 52.6 41.2 958 349 B S S S- 0 0 10 26,-0.1 -1,-0.2 1,-0.1 32,-0.1 0.680 94.4-149.6 -42.0 -36.4 16.6 55.5 39.8 959 350 B G S S+ 0 0 0 23,-0.1 31,-2.3 1,-0.1 32,-0.3 0.591 82.2 76.4 71.9 8.4 18.3 57.9 42.3 960 351 B E + 0 0 28 29,-0.2 -1,-0.1 30,-0.1 29,-0.0 0.425 55.9 145.5-128.6 -3.0 15.1 59.8 42.2 961 352 B T > - 0 0 10 1,-0.1 4,-2.9 4,-0.1 5,-0.3 -0.122 43.6-140.3 -52.9 121.9 12.6 57.8 44.3 962 353 B A H > S+ 0 0 5 252,-1.5 4,-2.8 1,-0.2 5,-0.3 0.891 94.5 40.8 -42.4 -80.4 10.3 60.1 46.2 963 354 B D H > S+ 0 0 3 2,-0.3 4,-1.1 251,-0.2 -1,-0.2 0.901 118.8 47.2 -41.4 -59.4 10.0 58.4 49.6 964 355 B T H >> S+ 0 0 1 1,-0.3 3,-7.0 2,-0.2 4,-0.6 0.967 111.6 50.1 -45.5 -73.2 13.6 57.6 49.7 965 356 B L H 3X S+ 0 0 16 -4,-2.9 4,-1.9 1,-0.3 -2,-0.3 0.794 105.7 58.2 -33.0 -38.1 14.5 61.1 48.7 966 357 B A H 3X S+ 0 0 15 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.3 0.783 96.3 68.0 -65.5 -22.3 12.2 62.2 51.4 967 358 B G H < S+ 0 0 58 -4,-1.7 3,-0.5 1,-0.2 -2,-0.3 0.924 110.4 61.4 -78.8 -45.4 14.3 64.4 56.7 971 362 B S H 3X>S+ 0 0 4 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V H X4 S+ 0 0 25 -3,-7.3 3,-0.5 -32,-0.3 -2,-0.2 0.842 112.0 54.5 -98.6 -47.5 23.0 62.0 44.7 992 383 B R H 3< S+ 0 0 91 -4,-1.0 2,-0.6 1,-0.3 -2,-0.2 0.780 110.0 53.1 -50.5 -31.0 23.0 65.8 44.5 993 384 B E T 3< S+ 0 0 61 -4,-2.1 2,-0.3 -5,-0.4 -1,-0.3 -0.580 97.8 74.0-111.5 65.5 21.4 65.7 47.9 994 385 B S S < S- 0 0 16 -2,-0.6 -14,-0.1 -3,-0.5 -13,-0.1 -0.940 73.5-125.2-170.0 149.6 23.8 63.5 49.8 995 386 B D S S+ 0 0 94 -16,-0.9 -1,-0.2 -2,-0.3 2,-0.2 0.947 92.4 10.1 -68.6 -89.0 27.2 63.9 51.3 996 387 B L S S- 0 0 39 -17,-0.8 2,-0.3 -102,-0.1 -1,-0.2 -0.586 76.7-163.9 -89.4 155.9 29.3 61.1 49.9 997 388 B A - 0 0 24 -17,-0.2 2,-0.8 -2,-0.2 -15,-0.2 -0.967 15.1-154.1-147.7 127.1 27.9 59.0 47.0 998 389 B L - 0 0 1 -2,-0.3 -15,-1.5 2,-0.0 22,-0.1 -0.820 15.2-158.5-103.2 102.5 28.8 55.6 45.4 999 390 B M - 0 0 40 -2,-0.8 -15,-0.2 -17,-0.2 -18,-0.0 -0.056 4.8-153.8 -63.2 174.3 27.7 55.2 41.8 1000 391 B T - 0 0 2 -17,-0.2 -16,-0.1 -43,-0.1 -1,-0.1 0.355 10.3-147.6-138.8 5.8 27.3 51.7 40.4 1001 392 B N + 0 0 88 1,-0.2 -127,-0.2 -18,-0.1 3,-0.1 0.795 44.7 149.8 24.4 58.7 27.9 52.0 36.8 1002 393 B A - 0 0 2 1,-0.4 -1,-0.2 -18,-0.2 -131,-0.1 0.148 58.0-109.5-102.6 15.4 25.4 49.1 36.4 1003 394 B G - 0 0 31 -19,-0.1 2,-0.6 -132,-0.1 -1,-0.4 -0.064 51.3 -51.4 81.4 171.2 24.2 50.3 33.0 1004 395 B T - 0 0 42 -153,-0.1 2,-0.5 -3,-0.1 -19,-0.0 -0.775 56.6-144.9 -85.4 122.9 20.8 51.8 32.3 1005 396 B E + 0 0 6 -2,-0.6 5,-0.1 1,-0.2 -144,-0.1 -0.765 28.3 166.6 -91.8 126.6 18.1 49.5 33.7 1006 397 B I + 0 0 11 -2,-0.5 -1,-0.2 -146,-0.1 -145,-0.1 0.614 48.8 98.5-113.2 -30.9 14.9 49.4 31.6 1007 398 B G S S- 0 0 0 -147,-0.2 198,-0.1 1,-0.2 199,-0.1 -0.357 71.4-141.1 -56.0 141.4 13.3 46.4 33.2 1008 399 B V S S+ 0 0 10 197,-1.2 2,-1.1 196,-0.2 -1,-0.2 0.970 94.0 66.0 -69.5 -50.6 10.8 47.6 35.7 1009 400 B A S S- 0 0 1 195,-0.3 -1,-0.2 196,-0.2 -2,-0.1 -0.589 96.1-131.5 -72.0 99.1 11.8 44.8 38.0 1010 401 B S + 0 0 18 -2,-1.1 -2,-0.1 1,-0.2 -1,-0.1 -0.286 45.5 149.9 -58.5 140.5 15.3 45.8 38.9 1011 402 B T >> + 0 0 0 -4,-0.1 3,-1.7 3,-0.1 4,-0.9 0.451 68.7 42.5-132.6 -73.7 17.7 43.0 38.5 1012 403 B K T 34 S+ 0 0 4 1,-0.3 4,-0.1 2,-0.2 -2,-0.1 0.344 115.1 55.9 -71.0 13.3 21.2 44.1 37.5 1013 404 B A T 3> S+ 0 0 0 3,-0.1 4,-0.6 2,-0.1 -1,-0.3 0.593 100.1 57.0-115.0 -23.3 20.8 46.9 40.0 1014 405 B F H X> S+ 0 0 0 -3,-1.7 3,-3.2 2,-0.2 4,-2.0 0.972 113.1 37.9 -62.2 -80.5 20.1 44.7 43.0 1015 406 B T H 3X S+ 0 0 0 -4,-0.9 4,-4.1 1,-0.3 -3,-0.1 0.845 112.9 58.3 -33.7 -55.2 23.2 42.6 42.8 1016 407 B T H 3> S+ 0 0 0 -5,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.753 106.8 48.3 -58.0 -24.8 25.2 45.7 41.8 1017 408 B Q H < S+ 0 0 0 -4,-3.8 3,-0.8 2,-0.2 4,-0.5 0.895 114.6 39.9 -52.0 -45.6 27.6 47.6 49.5 1022 413 B L H >X S+ 0 0 0 -4,-2.9 3,-4.2 -3,-0.4 4,-1.4 0.989 110.2 57.4 -63.0 -62.2 30.0 44.7 50.0 1023 414 B M T 3< S+ 0 0 1 -4,-3.3 4,-0.3 1,-0.3 -1,-0.2 0.340 109.6 49.2 -50.6 10.2 32.8 46.6 48.3 1024 415 B L T <> S+ 0 0 4 -3,-0.8 4,-1.0 -2,-0.4 -1,-0.3 0.425 91.6 72.8-124.2 -19.1 32.0 49.1 51.1 1025 416 B V H <> S+ 0 0 1 -3,-4.2 4,-1.6 -4,-0.5 -2,-0.2 0.859 98.5 59.0 -61.2 -35.3 32.2 46.5 53.8 1026 417 B A H >< S+ 0 0 0 -4,-1.4 3,-2.8 2,-0.2 4,-0.4 0.962 101.9 40.1 -50.7 -97.3 35.8 46.8 52.9 1027 418 B K H 3> S+ 0 0 51 -4,-0.3 4,-1.6 1,-0.3 3,-0.3 0.613 118.9 51.8 -39.1 -19.8 37.0 50.3 53.5 1028 419 B L H 3X S+ 0 0 12 -4,-1.0 4,-1.3 1,-0.2 -1,-0.3 0.843 100.9 58.1 -86.9 -35.8 34.9 50.4 56.6 1029 420 B S H << S+ 0 0 2 -3,-2.8 5,-0.4 -4,-1.6 -2,-0.2 0.273 116.0 40.3 -73.0 8.3 36.3 47.2 58.1 1030 421 B K H >4 S+ 0 0 97 -4,-0.4 3,-2.6 -3,-0.3 4,-0.5 0.629 103.0 58.9-120.5 -60.8 39.6 49.0 57.9 1031 422 B L H 3< S+ 0 0 52 -4,-1.6 -2,-0.1 1,-0.3 -3,-0.1 0.841 104.1 55.9 -38.0 -52.1 39.2 52.6 58.9 1032 423 B K T 3< S- 0 0 97 -4,-1.3 -1,-0.3 -5,-0.1 -3,-0.1 0.868 125.5-108.7 -50.9 -36.8 37.9 51.5 62.3 1033 424 B G < + 0 0 57 -3,-2.6 -2,-0.2 -5,-0.2 2,-0.2 0.799 65.9 147.0 106.3 56.0 41.1 49.6 62.5 1034 425 B L - 0 0 78 -4,-0.5 -1,-0.1 -5,-0.4 5,-0.1 -0.520 51.1 -46.9-113.0 179.6 40.1 46.0 62.2 1035 426 B D - 0 0 77 -2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.038 34.0-156.1 -39.3 146.5 41.5 42.7 60.7 1036 427 B A S > S+ 0 0 46 2,-0.1 4,-0.9 3,-0.1 3,-0.4 0.676 90.2 66.6 -98.2 -25.1 43.0 42.9 57.2 1037 428 B S T >4 S+ 0 0 61 1,-0.3 3,-1.2 2,-0.2 -1,-0.0 0.927 97.8 52.3 -57.9 -48.6 42.3 39.1 56.7 1038 429 B I G >4 S+ 0 0 46 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.717 105.4 55.8 -64.6 -22.4 38.6 39.6 56.8 1039 430 B E G >> S+ 0 0 9 -3,-0.4 4,-2.5 1,-0.2 3,-0.8 0.729 98.5 62.1 -79.1 -22.3 39.0 42.3 54.1 1040 431 B H G << S+ 0 0 95 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.249 98.1 58.9 -85.0 13.2 40.8 39.7 52.0 1041 432 B D G <4 S+ 0 0 84 -3,-0.7 -1,-0.2 4,-0.1 -2,-0.2 0.444 117.5 27.8-115.4 -9.9 37.5 37.7 52.0 1042 433 B I T X4 S+ 0 0 5 -3,-0.8 3,-2.1 -4,-0.2 5,-0.2 0.692 122.2 47.4-116.1 -50.3 35.5 40.5 50.4 1043 434 B V T 3< S+ 0 0 1 -4,-2.5 4,-0.4 1,-0.3 -3,-0.2 0.714 126.4 35.2 -69.2 -19.5 38.1 42.4 48.4 1044 435 B H T 3 S+ 0 0 109 -5,-0.3 -1,-0.3 2,-0.1 -4,-0.1 -0.007 111.5 65.1-116.1 23.6 39.1 39.0 47.1 1045 436 B G S < S+ 0 0 1 -3,-2.1 -2,-0.2 -6,-0.2 -1,-0.1 0.052 103.1 46.1-127.1 17.5 35.5 37.8 47.2 1046 437 B L S > S+ 0 0 2 -3,-0.1 3,-3.1 2,-0.1 -3,-0.1 0.638 91.5 70.0-125.0 -44.8 34.4 40.1 44.5 1047 438 B Q T 3 S+ 0 0 88 -4,-0.4 -3,-0.1 1,-0.3 -4,-0.1 0.646 104.4 48.6 -61.6 -13.4 36.9 40.0 41.6 1048 439 B A T >> S+ 0 0 29 1,-0.1 4,-1.6 2,-0.1 3,-0.6 0.270 86.6 91.0-106.5 9.4 35.7 36.5 40.9 1049 440 B L H <> S+ 0 0 0 -3,-3.1 4,-2.6 1,-0.2 5,-0.3 0.934 76.9 61.0 -67.3 -49.3 31.9 37.5 40.9 1050 441 B P H 34 S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.566 112.5 40.1 -55.5 -10.0 31.7 38.3 37.2 1051 442 B S H <> S+ 0 0 58 -3,-0.6 4,-3.1 2,-0.1 -2,-0.2 0.746 109.2 57.4-107.9 -36.0 32.7 34.7 36.5 1052 443 B R H X S+ 0 0 73 -4,-1.6 4,-1.0 2,-0.2 -3,-0.1 0.926 108.7 47.2 -59.6 -46.0 30.7 33.0 39.2 1053 444 B I H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 3,-0.2 0.877 110.2 52.4 -64.3 -40.4 27.5 34.5 37.8 1054 445 B E H > S+ 0 0 107 -5,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.961 107.4 52.1 -56.2 -49.7 28.4 33.5 34.4 1055 446 B Q H < S+ 0 0 116 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.764 115.0 45.8 -53.6 -26.7 28.9 30.0 35.8 1056 447 B M H >< S+ 0 0 0 -4,-1.0 3,-2.3 -3,-0.2 -2,-0.2 0.882 99.0 62.1 -87.3 -47.1 25.4 30.4 37.2 1057 448 B L H >< S+ 0 0 7 -4,-3.2 3,-2.4 1,-0.3 4,-0.2 0.825 89.5 78.6 -54.9 -29.7 23.5 31.8 34.2 1058 449 B S T >< S+ 0 0 64 -4,-1.3 3,-0.7 1,-0.3 4,-0.4 0.837 77.3 66.6 -44.7 -43.4 24.4 28.6 32.6 1059 450 B Q T <> S+ 0 0 51 -3,-2.3 4,-2.6 1,-0.2 3,-0.3 0.484 73.2 106.0 -66.1 3.9 21.6 26.7 34.5 1060 451 B D H X> S+ 0 0 12 -3,-2.4 4,-2.9 1,-0.3 3,-1.1 0.946 76.4 47.4 -42.1 -71.7 19.2 28.8 32.4 1061 452 B K H <> S+ 0 0 145 -3,-0.7 4,-2.0 1,-0.3 -1,-0.3 0.827 114.7 51.8 -44.5 -34.3 18.1 26.0 30.2 1062 453 B R H 34 S+ 0 0 96 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.3 0.871 111.5 42.1 -73.2 -40.8 17.7 24.0 33.4 1063 454 B I H X S+ 0 0 77 -4,-2.9 4,-1.1 1,-0.3 3,-0.7 0.946 109.0 42.9 -55.7 -53.5 13.5 27.2 32.1 1065 456 B A H 3< S+ 0 0 68 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.680 116.0 57.1 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