==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-NOV-10 3PLN . COMPND 2 MOLECULE: UDP-GLUCOSE 6-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR Y.-Y.CHEN,T.-P.KO,C.-H.LIN,W.-H.CHEN,A.H.-J.WANG . 379 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 30 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 1 1 1 3 0 3 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 3 4 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 996 A G > 0 0 108 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.6 58.2 -2.0 69.0 2 997 A S T 3 + 0 0 73 1,-0.2 3,-0.4 3,-0.1 0, 0.0 0.556 360.0 88.7 -85.5 -3.2 55.6 -1.3 66.2 3 998 A E T 3 S+ 0 0 163 1,-0.3 2,-0.3 24,-0.0 -1,-0.2 0.858 107.3 6.7 -62.1 -38.0 53.8 -4.6 66.9 4 999 A F S < S+ 0 0 111 -3,-0.5 -1,-0.3 23,-0.1 2,-0.1 -0.810 82.9 175.5-150.7 102.9 51.5 -3.1 69.5 5 1 A M - 0 0 6 -3,-0.4 23,-2.6 -2,-0.3 2,-0.5 -0.455 31.4-118.0-104.5 170.2 51.6 0.6 70.1 6 2 A K E -a 28 0A 15 71,-0.3 73,-2.9 21,-0.2 74,-1.5 -0.976 29.9-175.9-110.8 126.2 49.7 3.2 72.2 7 3 A I E -ab 29 80A 0 21,-2.8 23,-1.8 -2,-0.5 2,-0.4 -0.989 9.1-157.0-122.2 123.4 47.9 5.8 70.1 8 4 A T E -ab 30 81A 0 72,-2.4 74,-3.3 -2,-0.5 2,-0.5 -0.833 3.9-151.9-100.6 137.0 46.1 8.6 71.9 9 5 A I E -ab 31 82A 2 21,-2.4 23,-3.1 -2,-0.4 2,-0.7 -0.957 4.6-163.7-105.3 126.3 43.2 10.5 70.2 10 6 A S E +ab 32 83A 7 72,-3.0 74,-3.0 -2,-0.5 23,-0.1 -0.939 69.8 36.1-109.6 106.3 42.7 14.1 71.3 11 7 A G - 0 0 9 21,-1.7 74,-0.1 -2,-0.7 22,-0.1 0.204 64.6-149.5 118.9 118.9 39.3 15.1 70.1 12 8 A T + 0 0 6 4,-0.2 73,-0.1 19,-0.1 -1,-0.1 0.025 55.9 115.7-113.0 30.2 36.3 12.8 70.0 13 9 A G S > S- 0 0 35 71,-0.5 4,-2.9 4,-0.0 5,-0.4 -0.140 91.1 -74.0 -76.6-170.3 34.4 14.2 67.0 14 10 A Y H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.847 132.1 50.9 -60.9 -35.7 33.9 12.0 64.0 15 11 A V H > S+ 0 0 18 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.963 116.6 38.7 -66.2 -49.9 37.5 12.4 62.7 16 12 A G H > S+ 0 0 0 68,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.938 119.0 46.3 -68.6 -42.7 39.1 11.4 66.0 17 13 A L H X S+ 0 0 2 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.880 111.1 52.1 -69.4 -36.2 36.6 8.7 66.9 18 14 A S H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.4 -1,-0.2 0.949 114.4 43.3 -62.1 -47.1 36.7 7.1 63.4 19 15 A N H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.911 114.7 50.8 -66.4 -39.2 40.5 7.0 63.6 20 16 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.924 111.3 45.2 -63.9 -48.5 40.5 5.7 67.1 21 17 A V H X S+ 0 0 0 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.929 113.1 52.7 -64.1 -41.0 38.0 2.9 66.6 22 18 A L H >< S+ 0 0 0 -4,-2.4 3,-0.9 -5,-0.3 4,-0.2 0.943 115.3 39.3 -56.2 -47.9 39.9 1.9 63.4 23 19 A I H >X S+ 0 0 2 -4,-2.3 3,-1.9 1,-0.2 4,-1.7 0.807 103.0 70.2 -77.0 -25.4 43.3 1.7 65.2 24 20 A A H 3< S+ 0 0 2 -4,-2.3 40,-2.4 1,-0.3 -1,-0.2 0.597 82.7 74.3 -71.4 -9.7 41.8 0.1 68.4 25 21 A Q T << S+ 0 0 63 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.836 118.6 12.4 -68.9 -27.2 41.2 -3.1 66.4 26 22 A N T <4 S+ 0 0 67 -3,-1.9 2,-0.2 -4,-0.2 -2,-0.2 0.488 127.8 34.8-127.3 -9.1 45.0 -3.7 66.5 27 23 A H S < S- 0 0 2 -4,-1.7 2,-0.6 -23,-0.1 37,-0.4 -0.790 88.3 -82.2-137.5-179.8 46.6 -1.4 69.1 28 24 A E E -a 6 0A 60 -23,-2.6 -21,-2.8 -2,-0.2 2,-0.4 -0.828 46.6-172.9 -91.4 118.9 45.9 0.3 72.4 29 25 A V E -ac 7 65A 0 35,-2.8 37,-1.5 -2,-0.6 2,-0.5 -0.933 10.3-172.3-117.5 135.6 43.9 3.5 71.9 30 26 A V E -ac 8 66A 0 -23,-1.8 -21,-2.4 -2,-0.4 2,-0.5 -0.991 12.7-150.7-126.2 123.1 43.1 6.1 74.6 31 27 A A E -ac 9 67A 1 35,-2.9 37,-2.6 -2,-0.5 2,-0.5 -0.841 8.1-158.3 -96.7 125.2 40.6 8.9 73.8 32 28 A L E +ac 10 68A 8 -23,-3.1 -21,-1.7 -2,-0.5 2,-0.3 -0.885 19.3 163.2-103.6 128.2 41.1 12.2 75.6 33 29 A D - 0 0 21 35,-1.9 6,-0.1 -2,-0.5 -23,-0.0 -0.994 38.8-139.3-141.8 150.4 38.2 14.6 76.0 34 30 A I S S+ 0 0 150 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 0.757 84.7 84.1 -76.5 -26.6 37.6 17.5 78.3 35 31 A V >> - 0 0 60 1,-0.2 4,-1.8 -3,-0.1 3,-0.7 -0.686 64.1-159.7 -87.3 110.6 33.9 16.6 78.8 36 32 A Q H 3> S+ 0 0 95 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.838 90.7 57.8 -54.9 -38.3 33.5 14.0 81.5 37 33 A A H 3> S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 106.0 49.3 -62.9 -36.6 30.1 13.0 80.2 38 34 A K H <> S+ 0 0 79 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.902 111.0 50.3 -69.5 -40.0 31.5 12.1 76.8 39 35 A V H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 28,-0.2 0.915 109.7 50.1 -62.6 -44.3 34.3 10.1 78.5 40 36 A D H X S+ 0 0 72 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.912 110.6 50.1 -63.9 -41.7 31.8 8.1 80.6 41 37 A M H ><>S+ 0 0 59 -4,-2.0 5,-2.2 1,-0.2 3,-0.8 0.953 110.5 49.5 -59.3 -50.6 29.7 7.4 77.6 42 38 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.877 108.1 53.1 -58.7 -36.2 32.7 6.1 75.6 43 39 A N H 3<5S+ 0 0 68 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.751 105.9 53.8 -71.8 -20.4 33.7 3.9 78.5 44 40 A Q T <<5S- 0 0 127 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.323 122.9-110.1 -89.5 5.4 30.3 2.4 78.5 45 41 A K T < 5S+ 0 0 124 -3,-1.5 2,-0.5 1,-0.3 -3,-0.2 0.798 76.2 134.8 69.4 31.8 30.8 1.6 74.8 46 42 A I < - 0 0 66 -5,-2.2 -1,-0.3 -6,-0.1 -2,-0.2 -0.941 53.5-131.0-112.0 127.0 28.2 4.3 73.7 47 43 A S - 0 0 11 -2,-0.5 4,-0.1 1,-0.1 8,-0.0 -0.607 4.1-153.2 -79.9 131.9 29.1 6.6 70.9 48 44 A P S S+ 0 0 33 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.498 79.4 57.2 -80.6 -3.1 28.5 10.4 71.6 49 45 A I S S- 0 0 43 2,-0.1 2,-0.8 -36,-0.1 -2,-0.1 -0.852 91.5-104.1-124.9 163.0 28.0 10.9 67.8 50 46 A V + 0 0 137 -2,-0.3 2,-0.2 4,-0.1 100,-0.2 -0.772 63.8 124.0 -91.7 113.2 25.8 9.6 65.1 51 47 A D > - 0 0 5 -2,-0.8 4,-2.4 100,-0.1 5,-0.2 -0.740 48.5-148.2-168.1 109.9 27.6 7.1 62.9 52 48 A K H > S+ 0 0 124 98,-0.5 4,-2.4 1,-0.2 5,-0.2 0.901 96.7 46.4 -54.9 -46.1 26.3 3.6 62.5 53 49 A E H > S+ 0 0 26 97,-0.2 4,-3.0 2,-0.2 5,-0.3 0.881 110.2 53.3 -69.5 -38.0 29.6 1.8 62.0 54 50 A I H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.942 112.3 45.3 -61.4 -42.6 31.2 3.6 65.0 55 51 A Q H X S+ 0 0 65 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.918 114.0 49.1 -68.9 -37.9 28.3 2.6 67.2 56 52 A E H X S+ 0 0 86 -4,-2.4 4,-2.7 -5,-0.2 5,-0.4 0.936 113.6 45.5 -65.0 -47.7 28.4 -1.0 65.9 57 53 A Y H X S+ 0 0 29 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.927 113.1 49.7 -65.2 -42.1 32.1 -1.4 66.3 58 54 A L H < S+ 0 0 7 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.915 119.6 37.9 -62.3 -39.4 32.2 0.1 69.9 59 55 A A H < S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.848 130.3 24.5 -81.2 -31.7 29.3 -2.1 71.0 60 56 A E H < S+ 0 0 149 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.611 102.2 73.3-112.7 -18.3 30.2 -5.4 69.2 61 57 A K S < S- 0 0 102 -4,-2.2 2,-0.9 -5,-0.4 -36,-0.0 -0.768 80.4-112.5-104.4 150.5 33.9 -5.6 68.4 62 58 A P + 0 0 123 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.673 48.8 171.4 -79.7 102.7 36.8 -6.3 70.8 63 59 A L - 0 0 33 -2,-0.9 2,-1.7 -5,-0.2 -38,-0.2 -0.961 41.0-134.3-114.9 140.9 38.6 -3.0 70.7 64 60 A N + 0 0 76 -40,-2.4 -35,-2.8 -37,-0.4 2,-0.4 -0.717 64.3 134.3 -91.6 82.5 41.5 -2.1 73.0 65 61 A F E +c 29 0A 31 -2,-1.7 2,-0.3 -37,-0.2 -35,-0.2 -1.000 23.5 155.8-137.6 134.9 39.8 1.3 73.5 66 62 A R E -c 30 0A 84 -37,-1.5 -35,-2.9 -2,-0.4 2,-0.3 -0.962 25.2-135.0-150.6 166.5 39.1 3.5 76.5 67 63 A A E +c 31 0A 5 -2,-0.3 2,-0.3 -37,-0.2 -35,-0.2 -0.868 19.7 173.6-125.1 157.3 38.5 7.2 77.3 68 64 A T E -c 32 0A 15 -37,-2.6 -35,-1.9 -2,-0.3 -2,-0.0 -0.988 34.6-147.0-155.6 158.3 39.7 9.6 79.9 69 65 A T S S+ 0 0 51 -2,-0.3 2,-0.7 -37,-0.2 -37,-0.1 0.437 76.4 100.9-103.5 -1.7 39.6 13.3 80.9 70 66 A D > - 0 0 76 1,-0.2 4,-2.8 2,-0.0 5,-0.2 -0.721 56.7-163.0 -90.4 110.2 43.2 13.0 82.4 71 67 A K H > S+ 0 0 77 -2,-0.7 4,-2.7 2,-0.2 5,-0.3 0.831 90.3 51.2 -59.1 -36.7 45.9 14.4 80.1 72 68 A H H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.956 111.8 46.6 -68.2 -41.7 48.7 12.7 81.9 73 69 A D H 4 S+ 0 0 56 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.923 116.9 46.5 -63.3 -43.2 47.0 9.3 81.7 74 70 A A H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.940 120.0 33.4 -69.1 -46.6 46.1 9.9 78.0 75 71 A Y H >< S+ 0 0 1 -4,-2.7 3,-1.9 -5,-0.2 -1,-0.2 0.745 87.6 106.0 -86.1 -24.3 49.5 11.1 76.7 76 72 A R T 3< S+ 0 0 136 -4,-2.1 3,-0.1 -5,-0.3 36,-0.1 -0.344 95.5 1.5 -62.4 134.9 52.0 9.2 78.8 77 73 A N T 3 S+ 0 0 140 1,-0.2 -71,-0.3 2,-0.1 -1,-0.3 0.486 91.0 150.7 69.4 7.3 53.7 6.4 76.9 78 74 A A < - 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0 0 27 -5,-1.5 -1,-0.3 -6,-0.3 -2,-0.1 -0.810 46.1-164.6-119.9 162.7 60.1 20.8 68.1 138 134 A D + 0 0 117 -2,-0.3 2,-1.2 -3,-0.1 -1,-0.1 0.532 65.3 92.0-119.0 -9.2 60.2 18.1 65.4 139 135 A N + 0 0 35 -26,-0.1 -22,-2.8 -7,-0.1 2,-0.4 -0.252 60.1 97.4 -94.5 48.2 57.4 15.7 66.4 140 136 A V E +e 117 0A 1 -2,-1.2 2,-0.3 -24,-0.2 -22,-0.2 -0.998 41.0 172.7-135.8 131.2 54.4 17.1 64.5 141 137 A I E -e 118 0A 2 -24,-2.4 -22,-2.9 -2,-0.4 2,-0.3 -0.995 22.8-137.2-136.9 138.8 53.2 15.7 61.2 142 138 A F E +e 119 0A 7 -2,-0.3 23,-2.8 23,-0.3 -22,-0.2 -0.790 19.8 178.5 -96.2 140.8 50.0 16.7 59.3 143 139 A S - 0 0 0 -24,-2.8 21,-0.2 -2,-0.3 55,-0.0 -0.941 26.7-127.9-139.7 117.0 47.8 14.0 57.6 144 140 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 19,-0.4 -0.271 15.2-139.9 -65.2 148.7 44.6 15.0 55.8 145 141 A E - 0 0 19 -25,-0.4 17,-0.1 17,-0.1 -130,-0.0 -0.901 13.4-171.0-107.8 140.2 41.4 13.3 56.6 146 142 A F + 0 0 53 -2,-0.4 2,-0.2 15,-0.1 14,-0.2 -0.121 38.2 139.1-120.0 41.1 39.0 12.5 53.7 147 143 A L - 0 0 18 12,-0.1 2,-0.5 9,-0.0 5,-0.2 -0.536 47.2-138.7 -96.2 149.6 36.0 11.5 55.8 148 144 A R > - 0 0 138 3,-0.3 3,-2.2 -2,-0.2 7,-0.2 -0.908 31.5-114.5-101.0 125.9 32.2 12.2 55.4 149 145 A E T 3 S+ 0 0 148 -2,-0.5 -98,-0.1 1,-0.3 -134,-0.0 -0.390 106.0 28.8 -57.8 134.2 30.4 13.0 58.7 150 146 A G T 3 S+ 0 0 38 -100,-0.2 -98,-0.5 -2,-0.1 -1,-0.3 0.151 127.0 45.9 97.4 -19.4 27.9 10.1 59.3 151 147 A R S <> S+ 0 0 111 -3,-2.2 4,-2.3 -100,-0.1 -3,-0.3 -0.087 73.1 127.7-142.6 38.7 30.1 7.5 57.5 152 148 A A H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.898 75.0 43.3 -71.7 -43.0 33.4 8.4 59.0 153 149 A L H >> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 3,-0.6 0.939 113.0 54.2 -69.9 -40.2 34.4 5.0 60.2 154 150 A Y H 3> S+ 0 0 94 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.936 107.4 51.1 -55.7 -38.8 33.2 3.5 56.9 155 151 A D H 3< S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.752 110.6 48.2 -72.9 -24.5 35.5 6.0 55.0 156 152 A N H << S+ 0 0 16 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.774 111.1 50.7 -81.8 -26.7 38.5 5.0 57.2 157 153 A L H < S+ 0 0 4 -4,-2.2 27,-2.5 1,-0.2 26,-1.8 0.772 127.6 24.6 -75.2 -25.3 37.7 1.3 56.5 158 154 A H S < S+ 0 0 60 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.526 88.5 178.4-136.4 65.8 37.5 2.0 52.7 159 155 A P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.411 36.5-136.4 -77.9 148.5 39.7 5.2 52.1 160 156 A S S S- 0 0 59 1,-0.3 2,-0.3 -14,-0.2 -4,-0.0 0.908 83.8 -35.9 -60.6 -44.9 40.3 6.8 48.8 161 157 A R - 0 0 81 26,-0.1 2,-0.4 2,-0.0 -1,-0.3 -0.963 53.6-118.6-166.7 170.6 44.0 7.1 49.8 162 158 A I E -g 189 0C 9 26,-2.4 28,-2.7 -2,-0.3 2,-0.4 -0.984 27.4-175.1-120.4 127.9 46.2 7.8 52.8 163 159 A V E -g 190 0C 3 -2,-0.4 2,-0.5 -19,-0.4 28,-0.2 -0.995 3.5-173.1-126.4 125.4 48.5 10.8 52.7 164 160 A I E -g 191 0C 0 26,-2.2 28,-2.3 -2,-0.4 2,-1.1 -0.982 22.4-138.1-118.6 127.2 51.1 11.5 55.4 165 161 A G S S+ 0 0 3 -23,-2.8 -23,-0.3 -2,-0.5 2,-0.3 -0.136 78.3 67.4 -80.2 37.8 52.9 14.9 55.3 166 162 A E S S- 0 0 29 -2,-1.1 2,-0.8 27,-0.2 26,-0.2 -0.959 70.1-138.8-150.0 144.9 56.4 13.6 56.2 167 163 A R + 0 0 167 -2,-0.3 2,-0.3 24,-0.1 3,-0.1 -0.874 63.6 99.7-102.6 96.4 58.8 11.3 54.3 168 164 A S S > S- 0 0 30 -2,-0.8 4,-2.3 1,-0.1 5,-0.2 -0.981 83.3-100.4-168.8 163.5 60.2 9.1 57.0 169 165 A A H > S+ 0 0 58 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.879 120.3 54.8 -64.2 -36.2 59.9 5.7 58.6 170 166 A R H > S+ 0 0 48 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.866 109.0 48.8 -69.0 -29.9 57.8 7.0 61.5 171 167 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 111.3 49.7 -69.2 -42.1 55.3 8.5 59.0 172 168 A E H X S+ 0 0 90 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.858 106.7 55.4 -65.3 -34.4 55.2 5.2 57.1 173 169 A R H X S+ 0 0 103 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.870 107.6 49.8 -66.8 -33.2 54.6 3.3 60.4 174 170 A F H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 3,-0.4 0.935 109.2 50.7 -70.8 -41.1 51.6 5.5 61.0 175 171 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.909 106.2 57.0 -57.9 -39.4 50.3 4.9 57.4 176 172 A D H X S+ 0 0 90 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.856 102.3 55.0 -60.2 -36.0 50.7 1.1 58.2 177 173 A L H X S+ 0 0 7 -4,-1.4 4,-1.5 -3,-0.4 -1,-0.2 0.899 108.3 48.6 -62.2 -40.1 48.4 1.5 61.2 178 174 A L H X S+ 0 0 6 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.875 114.4 45.2 -69.0 -33.9 45.7 3.0 59.0 179 175 A K H < S+ 0 0 72 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.871 106.8 58.7 -76.7 -34.8 46.1 0.2 56.4 180 176 A E H < S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.864 109.9 43.5 -63.0 -38.8 46.1 -2.6 59.1 181 177 A G H < S+ 0 0 6 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.676 96.6 98.6 -82.9 -15.3 42.7 -1.6 60.4 182 178 A A < - 0 0 10 -4,-0.7 -25,-0.2 -3,-0.4 -24,-0.1 -0.292 61.1-151.0 -74.6 156.9 41.1 -1.1 57.0 183 179 A I S S+ 0 0 87 -26,-1.8 -25,-0.2 2,-0.1 -1,-0.1 0.864 80.4 81.6 -88.7 -46.1 38.9 -3.5 55.1 184 180 A K S S- 0 0 76 -27,-2.5 3,-0.3 1,-0.1 2,-0.2 -0.323 76.5-143.8 -58.7 138.2 40.0 -2.2 51.7 185 181 A Q S S+ 0 0 144 1,-0.2 -2,-0.1 -27,-0.1 -1,-0.1 -0.655 70.0 21.9-104.8 163.6 43.3 -3.6 50.6 186 182 A D S S- 0 0 159 -2,-0.2 -1,-0.2 1,-0.2 3,-0.0 0.905 78.6-168.6 45.8 53.7 46.2 -2.1 48.6 187 183 A I - 0 0 6 -3,-0.3 -1,-0.2 1,-0.1 -26,-0.1 -0.507 28.9-106.2 -71.7 130.0 45.1 1.4 49.6 188 184 A P - 0 0 72 0, 0.0 -26,-2.4 0, 0.0 2,-0.4 -0.381 43.1-165.8 -59.1 132.6 47.0 4.2 47.6 189 185 A T E -g 162 0C 43 -28,-0.2 2,-0.4 -2,-0.1 -26,-0.2 -0.984 10.5-175.0-131.0 130.4 49.6 5.7 50.0 190 186 A L E -g 163 0C 90 -28,-2.7 -26,-2.2 -2,-0.4 2,-0.5 -0.987 10.4-161.3-130.0 133.6 51.5 9.0 49.5 191 187 A F E +g 164 0C 58 -2,-0.4 2,-0.2 -28,-0.2 -26,-0.2 -0.939 24.2 163.5-113.2 126.8 54.2 10.5 51.6 192 188 A T - 0 0 22 -28,-2.3 2,-0.1 -2,-0.5 -2,-0.0 -0.760 41.2 -88.8-128.7 176.4 54.8 14.2 51.0 193 189 A D > - 0 0 66 -2,-0.2 4,-1.8 -27,-0.2 -27,-0.2 -0.367 52.8 -96.7 -79.2 174.5 56.5 17.1 52.7 194 190 A S H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 -68,-0.1 0.928 114.3 41.4 -65.4 -55.4 54.5 19.1 55.2 195 191 A T H > S+ 0 0 24 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.895 112.8 57.4 -65.9 -36.2 53.1 22.2 53.5 196 192 A E H >> S+ 0 0 113 1,-0.2 4,-0.8 2,-0.2 3,-0.8 0.906 105.7 49.8 -59.1 -44.1 52.3 20.2 50.4 197 193 A A H >X S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 4,-0.5 0.883 106.8 55.8 -63.3 -35.8 50.1 17.8 52.4 198 194 A E H 3< S+ 0 0 7 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.725 105.8 51.8 -71.1 -17.7 48.3 20.7 53.9 199 195 A A H S+ 0 0 9 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.940 114.2 42.9 -64.3 -43.1 42.0 22.8 49.5 203 199 A F H X S+ 0 0 98 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.857 116.3 47.8 -71.4 -34.2 43.0 22.0 45.9 204 200 A A H X S+ 0 0 32 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.951 115.1 44.1 -69.3 -46.9 40.9 18.9 45.8 205 201 A N H X S+ 0 0 29 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.878 112.2 53.3 -65.8 -33.3 37.8 20.6 47.2 206 202 A T H X S+ 0 0 5 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.877 106.3 52.6 -70.9 -34.5 38.3 23.6 45.0 207 203 A Y H X S+ 0 0 116 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.912 108.8 50.7 -62.2 -42.6 38.4 21.3 41.9 208 204 A L H X S+ 0 0 45 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.902 111.1 47.8 -61.4 -41.0 35.1 19.8 43.0 209 205 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.914 111.3 51.7 -63.8 -39.2 33.6 23.3 43.4 210 206 A L H X S+ 0 0 61 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.906 108.9 50.3 -62.1 -41.1 35.0 24.2 39.9 211 207 A R H X S+ 0 0 16 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.945 113.4 44.6 -64.7 -47.5 33.5 21.1 38.4 212 208 A V H X S+ 0 0 23 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.924 113.8 50.9 -61.8 -42.3 30.0 21.9 39.9 213 209 A A H X S+ 0 0 7 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.874 109.8 50.7 -62.9 -37.6 30.4 25.6 38.9 214 210 A Y H X S+ 0 0 145 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.943 111.3 45.5 -66.6 -48.1 31.2 24.6 35.3 215 211 A F H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.845 111.9 54.8 -66.3 -27.2 28.3 22.3 34.9 216 212 A N H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.860 107.6 48.2 -71.6 -35.2 26.1 25.0 36.5 217 213 A E H X S+ 0 0 96 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.860 109.8 52.1 -70.0 -36.1 27.3 27.5 33.9 218 214 A L H X S+ 0 0 23 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.938 111.4 49.1 -59.5 -43.0 26.6 25.0 31.1 219 215 A D H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.872 106.6 54.1 -65.0 -38.0 23.1 24.7 32.7 220 216 A S H X S+ 0 0 17 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.930 111.3 47.2 -59.3 -44.2 22.7 28.5 32.8 221 217 A Y H X S+ 0 0 138 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.933 110.9 50.4 -63.6 -45.8 23.4 28.6 29.1 222 218 A A H X>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-0.7 0.934 113.5 45.4 -61.4 -42.9 21.0 25.7 28.3 223 219 A E H ><5S+ 0 0 50 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.949 113.1 50.2 -65.0 -44.0 18.2 27.4 30.2 224 220 A S H 3<5S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.842 116.9 41.5 -61.0 -33.7 18.9 30.8 28.6 225 221 A Q H 3<5S- 0 0 107 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.379 111.6-113.6 -98.6 2.3 18.9 29.2 25.1 226 222 A G T <<5 + 0 0 71 -3,-1.1 2,-0.2 -4,-0.7 -3,-0.2 0.802 68.3 142.1 70.3 30.8 16.0 26.9 25.5 227 223 A L < - 0 0 85 -5,-2.7 2,-0.9 -6,-0.2 -1,-0.2 -0.623 60.5-103.5-106.1 162.7 18.1 23.7 25.3 228 224 A N > - 0 0 81 -2,-0.2 4,-1.6 1,-0.2 3,-0.2 -0.753 27.7-165.2 -87.9 107.0 17.9 20.4 27.1 229 225 A S H > S+ 0 0 6 -2,-0.9 4,-3.1 1,-0.2 5,-0.3 0.851 85.0 58.6 -61.2 -38.1 20.7 20.4 29.7 230 226 A K H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.903 104.0 51.2 -61.9 -40.4 20.6 16.6 30.2 231 227 A Q H > S+ 0 0 137 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.928 114.2 43.7 -62.4 -43.3 21.3 15.9 26.6 232 228 A I H X S+ 0 0 59 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.957 115.7 46.7 -67.8 -47.7 24.3 18.2 26.6 233 229 A I H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.914 111.4 50.3 -64.3 -41.8 25.7 17.0 29.9 234 230 A E H X S+ 0 0 78 -4,-2.7 4,-0.9 -5,-0.3 -1,-0.2 0.914 112.3 48.4 -63.4 -39.7 25.3 13.3 29.1 235 231 A G H < S+ 0 0 50 -4,-1.8 3,-0.2 -5,-0.3 -1,-0.2 0.894 114.3 45.4 -66.2 -38.7 27.1 13.8 25.8 236 232 A V H >< S+ 0 0 46 -4,-2.5 3,-1.8 1,-0.2 7,-0.2 0.932 111.7 51.9 -64.7 -45.4 29.9 15.7 27.3 237 233 A C H 3< S+ 0 0 6 -4,-3.1 6,-0.5 1,-0.3 -1,-0.2 0.576 89.6 76.4 -76.8 -9.0 30.3 13.2 30.3 238 234 A L T 3< S+ 0 0 143 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.1 0.518 71.3 97.3 -74.7 -8.4 30.6 10.2 28.0 239 235 A D S X> S- 0 0 44 -3,-1.8 4,-2.4 1,-0.1 3,-2.1 -0.763 78.4-142.5 -75.0 121.7 34.1 11.4 27.3 240 236 A P T 34 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.717 98.5 65.7 -63.4 -16.8 36.0 9.2 29.9 241 237 A R T 34 S+ 0 0 218 1,-0.1 -4,-0.1 2,-0.0 -3,-0.1 0.658 115.0 30.3 -74.2 -12.3 38.4 12.1 30.6 242 238 A I T <4 S- 0 0 54 -3,-2.1 3,-0.2 -6,-0.2 -5,-0.1 0.817 97.3-162.8-111.6 -52.6 35.4 13.9 32.1 243 239 A G < - 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