==== 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 04-NOV-10 3PHL . 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) . 19367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 69.7 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 . 29 7.7 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 . 138 36.4 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 4 0 2 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 91 0, 0.0 3,-2.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 97.8 59.4 -3.3 66.3 2 997 A S G > + 0 0 29 1,-0.3 3,-1.6 2,-0.2 171,-0.0 0.768 360.0 74.9 -52.0 -26.5 56.2 -1.6 65.2 3 998 A E G 3 S+ 0 0 148 1,-0.3 -1,-0.3 24,-0.1 0, 0.0 0.872 99.1 42.6 -60.2 -31.2 54.4 -4.6 66.6 4 999 A F G < S+ 0 0 171 -3,-2.2 -1,-0.3 23,-0.1 -2,-0.2 0.227 89.3 127.6-101.8 19.2 55.0 -3.3 70.1 5 1 A M < - 0 0 19 -3,-1.6 23,-1.3 -4,-0.1 2,-0.4 -0.279 48.7-142.4 -75.2 159.6 54.2 0.4 69.6 6 2 A K E -a 28 0A 13 71,-0.3 73,-2.6 21,-0.1 74,-1.3 -0.970 14.8-166.7-120.2 129.8 51.9 2.7 71.5 7 3 A I E -ab 29 80A 0 21,-3.0 23,-2.0 -2,-0.4 2,-0.4 -0.969 3.8-159.3-119.3 128.5 49.9 5.4 69.5 8 4 A T E -ab 30 81A 0 72,-2.3 74,-3.3 -2,-0.5 2,-0.5 -0.871 4.3-151.8-106.3 141.7 48.1 8.2 71.3 9 5 A I E -ab 31 82A 1 21,-2.6 23,-3.0 -2,-0.4 2,-0.7 -0.950 4.0-162.3-109.6 127.2 45.2 10.2 69.7 10 6 A S E +ab 32 83A 5 72,-3.1 74,-3.4 -2,-0.5 23,-0.1 -0.928 69.8 30.5-112.4 104.4 44.8 13.8 70.9 11 7 A G - 0 0 11 21,-1.8 22,-0.1 -2,-0.7 -1,-0.1 0.332 66.5-145.9 118.5 118.3 41.3 14.9 69.9 12 8 A T + 0 0 6 4,-0.2 73,-0.1 5,-0.1 -1,-0.1 -0.020 54.7 117.8-106.8 35.3 38.3 12.5 69.7 13 9 A G S > S- 0 0 36 71,-0.6 4,-2.7 1,-0.0 5,-0.3 -0.161 90.1 -71.5 -79.1-168.8 36.2 13.9 66.8 14 10 A Y H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.848 133.6 48.4 -58.3 -33.2 35.7 11.7 63.8 15 11 A V H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.957 115.9 42.1 -71.6 -48.9 39.3 12.1 62.5 16 12 A G H > S+ 0 0 0 68,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.945 119.0 44.7 -60.6 -52.6 41.0 11.2 65.8 17 13 A L H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.883 110.5 53.8 -61.7 -40.2 38.6 8.4 66.6 18 14 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.941 113.1 43.0 -59.3 -50.7 38.7 6.9 63.1 19 15 A N H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.910 114.3 52.3 -63.0 -41.8 42.5 6.7 63.2 20 16 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.936 112.3 43.0 -61.2 -49.3 42.4 5.4 66.8 21 17 A V H X S+ 0 0 0 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.945 113.0 53.8 -64.2 -46.4 40.0 2.6 66.1 22 18 A L H >< S+ 0 0 0 -4,-2.4 3,-0.6 -5,-0.3 -1,-0.2 0.915 116.5 37.7 -51.1 -48.6 41.8 1.7 62.9 23 19 A I H >X S+ 0 0 2 -4,-2.4 3,-2.1 1,-0.2 4,-1.4 0.844 103.6 68.4 -77.3 -30.5 45.1 1.4 64.7 24 20 A A H 3< S+ 0 0 1 -4,-2.6 40,-2.2 1,-0.3 -1,-0.2 0.630 82.5 77.9 -67.9 -9.4 43.9 -0.2 67.9 25 21 A Q T << S+ 0 0 62 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.796 117.3 11.5 -65.9 -27.5 43.0 -3.3 65.9 26 22 A N T <4 S+ 0 0 80 -3,-2.1 2,-0.3 -4,-0.2 -2,-0.2 0.399 127.7 39.3-130.0 -1.9 46.7 -4.2 66.0 27 23 A H S < S- 0 0 9 -4,-1.4 2,-0.5 37,-0.1 37,-0.3 -0.937 86.6 -83.8-145.5 171.0 48.4 -1.9 68.5 28 24 A E E -a 6 0A 70 -23,-1.3 -21,-3.0 -2,-0.3 2,-0.4 -0.646 48.5-177.3 -81.9 122.9 48.0 -0.2 71.8 29 25 A V E -ac 7 65A 0 35,-2.5 37,-1.3 -2,-0.5 2,-0.4 -0.978 12.7-171.3-123.5 134.6 46.1 3.1 71.4 30 26 A V E -ac 8 66A 0 -23,-2.0 -21,-2.6 -2,-0.4 2,-0.5 -0.996 11.2-152.9-126.0 126.6 45.2 5.6 74.0 31 27 A A E -ac 9 67A 0 35,-2.5 37,-2.5 -2,-0.4 2,-0.4 -0.909 6.3-158.4-103.3 122.6 42.8 8.5 73.3 32 28 A L E +ac 10 68A 10 -23,-3.0 -21,-1.8 -2,-0.5 2,-0.3 -0.846 18.7 165.7 -98.8 128.6 43.2 11.7 75.2 33 29 A D - 0 0 17 35,-1.8 6,-0.1 -2,-0.4 -23,-0.0 -0.990 37.1-138.5-139.7 151.5 40.2 14.1 75.5 34 30 A I S S+ 0 0 150 -2,-0.3 2,-0.9 1,-0.1 -1,-0.1 0.823 84.8 82.3 -81.5 -25.3 39.6 17.0 77.7 35 31 A V >> - 0 0 64 1,-0.2 3,-1.9 2,-0.0 4,-1.5 -0.663 64.8-158.9 -86.7 103.1 35.9 16.1 78.4 36 32 A Q H 3> S+ 0 0 95 -2,-0.9 4,-2.0 1,-0.3 -1,-0.2 0.777 89.7 61.5 -46.3 -36.8 35.7 13.5 81.1 37 33 A A H 3> S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.824 104.6 46.8 -64.0 -33.8 32.2 12.5 79.9 38 34 A K H <> S+ 0 0 87 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.856 109.1 54.2 -77.3 -35.2 33.5 11.4 76.5 39 35 A V H X S+ 0 0 3 -4,-1.5 4,-3.0 2,-0.2 28,-0.2 0.901 108.4 51.7 -61.9 -40.3 36.4 9.5 78.0 40 36 A D H X S+ 0 0 71 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.936 110.3 45.4 -63.4 -50.9 33.8 7.6 80.1 41 37 A M H <>S+ 0 0 64 -4,-1.7 5,-3.7 2,-0.2 -1,-0.2 0.910 114.2 50.7 -60.0 -42.2 31.6 6.6 77.2 42 38 A L H ><5S+ 0 0 3 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.958 109.9 48.7 -60.8 -48.2 34.8 5.6 75.2 43 39 A N H 3<5S+ 0 0 64 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.750 110.2 52.3 -62.4 -23.6 36.0 3.4 78.1 44 40 A Q T 3<5S- 0 0 127 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.217 122.6-112.1 -91.5 10.7 32.5 1.9 78.2 45 41 A K T < 5S+ 0 0 119 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.814 75.2 134.0 63.3 31.5 32.9 1.2 74.5 46 42 A I < - 0 0 71 -5,-3.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.955 54.4-129.9-113.7 126.8 30.2 3.7 73.5 47 43 A S - 0 0 10 -2,-0.5 4,-0.1 1,-0.1 8,-0.1 -0.604 5.4-152.9 -76.6 128.4 31.0 6.1 70.7 48 44 A P S S+ 0 0 34 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.582 77.6 57.1 -77.1 -4.4 30.4 9.8 71.4 49 45 A I S S- 0 0 47 2,-0.1 2,-0.7 -36,-0.1 6,-0.1 -0.839 92.7-101.7-125.5 161.6 29.8 10.6 67.7 50 46 A V + 0 0 141 -2,-0.3 2,-0.2 4,-0.1 100,-0.2 -0.742 65.7 125.8 -85.4 115.9 27.5 9.3 65.0 51 47 A D > - 0 0 5 -2,-0.7 4,-2.7 1,-0.1 5,-0.3 -0.659 47.5-149.3-173.6 106.5 29.3 6.8 62.8 52 48 A K H > S+ 0 0 136 98,-0.5 4,-2.6 1,-0.2 5,-0.2 0.901 96.1 43.5 -49.8 -56.0 28.1 3.3 62.2 53 49 A E H > S+ 0 0 27 97,-0.2 4,-2.9 2,-0.2 5,-0.2 0.904 112.5 52.7 -64.1 -39.8 31.5 1.5 61.8 54 50 A I H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.951 112.9 44.5 -61.4 -44.9 33.1 3.3 64.7 55 51 A Q H X S+ 0 0 63 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.918 114.4 50.0 -64.9 -39.0 30.3 2.3 67.0 56 52 A E H X S+ 0 0 66 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.903 113.0 45.5 -64.3 -42.7 30.3 -1.3 65.6 57 53 A Y H X S+ 0 0 29 -4,-2.9 4,-1.8 1,-0.2 6,-0.2 0.895 112.7 49.7 -68.6 -41.8 34.1 -1.6 66.1 58 54 A L H < S+ 0 0 8 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.849 119.7 37.4 -65.6 -35.4 34.1 -0.2 69.6 59 55 A A H < S+ 0 0 61 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.833 128.2 28.6 -87.9 -29.0 31.3 -2.5 70.7 60 56 A E H < S+ 0 0 143 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.506 104.4 69.3-113.2 -8.9 32.1 -5.7 68.9 61 57 A K S < S- 0 0 96 -4,-1.8 2,-1.7 -5,-0.2 -36,-0.0 -0.839 79.7-115.1-113.7 153.5 35.9 -6.0 68.3 62 58 A P + 0 0 126 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.579 45.8 176.0 -86.1 87.6 38.7 -6.5 70.7 63 59 A L - 0 0 28 -2,-1.7 2,-2.2 -6,-0.2 -38,-0.2 -0.736 37.7-135.0 -94.5 135.2 40.5 -3.2 70.3 64 60 A N + 0 0 97 -40,-2.2 -35,-2.5 -2,-0.4 2,-0.4 -0.611 66.7 129.5 -85.1 80.8 43.5 -2.4 72.5 65 61 A F E +c 29 0A 25 -2,-2.2 2,-0.3 -37,-0.2 -35,-0.2 -0.998 26.5 156.9-140.3 136.1 42.0 1.0 73.0 66 62 A R E -c 30 0A 81 -37,-1.3 -35,-2.5 -2,-0.4 2,-0.3 -0.954 24.9-134.9-151.1 167.2 41.2 3.1 76.1 67 63 A A E +c 31 0A 6 -2,-0.3 2,-0.3 -28,-0.2 -35,-0.2 -0.823 18.0 178.4-126.1 161.8 40.7 6.8 76.8 68 64 A T E -c 32 0A 16 -37,-2.5 -35,-1.8 -2,-0.3 -2,-0.0 -0.986 33.5-148.1-159.2 156.8 41.9 9.1 79.4 69 65 A T S S+ 0 0 50 -2,-0.3 2,-0.7 -37,-0.2 -37,-0.1 0.341 77.7 103.0-103.6 -1.6 41.7 12.8 80.4 70 66 A D > - 0 0 77 1,-0.1 4,-2.9 2,-0.0 5,-0.1 -0.744 55.9-165.3 -92.8 115.8 45.1 12.4 81.8 71 67 A K H > S+ 0 0 76 -2,-0.7 4,-2.4 1,-0.2 5,-0.3 0.774 88.4 49.1 -64.2 -37.5 47.9 13.9 79.6 72 68 A H H > S+ 0 0 114 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.929 114.0 46.2 -69.4 -42.7 50.8 12.2 81.3 73 69 A D H 4 S+ 0 0 42 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.942 115.7 47.9 -64.2 -46.1 49.1 8.8 81.1 74 70 A A H < S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.939 119.9 33.1 -64.0 -47.2 48.2 9.4 77.5 75 71 A Y H >< S+ 0 0 1 -4,-2.4 3,-2.1 -5,-0.1 -1,-0.2 0.741 85.5 105.0 -86.0 -27.4 51.5 10.6 76.1 76 72 A R T 3< S+ 0 0 109 -4,-2.0 3,-0.1 -5,-0.3 36,-0.1 -0.343 95.8 4.4 -62.9 140.6 54.2 8.9 78.0 77 73 A N T 3 S+ 0 0 122 1,-0.2 -71,-0.3 2,-0.1 -1,-0.3 0.396 90.5 149.9 67.9 2.1 55.9 6.1 76.0 78 74 A A < - 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0 0 9 -2,-0.3 3,-0.1 75,-0.1 -34,-0.0 -0.890 35.0 -84.5-134.8 163.2 46.2 23.5 59.2 124 120 A P > - 0 0 34 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.337 55.3 -88.0 -68.3 152.7 47.4 26.4 57.0 125 121 A V T 3 S+ 0 0 51 1,-0.3 70,-0.1 2,-0.1 71,-0.1 -0.460 118.5 21.6 -62.7 125.1 49.9 25.9 54.2 126 122 A G T 3> S+ 0 0 13 -2,-0.2 4,-2.2 68,-0.2 -1,-0.3 0.273 87.2 122.4 99.9 -9.6 53.4 26.2 55.7 127 123 A F H <> S+ 0 0 13 -3,-2.1 4,-3.0 1,-0.2 5,-0.3 0.922 71.8 45.2 -51.9 -49.9 52.2 25.5 59.3 128 124 A T H > S+ 0 0 0 -4,-0.3 4,-2.3 2,-0.2 5,-0.2 0.941 112.8 47.7 -67.6 -48.1 54.4 22.5 60.1 129 125 A R H > S+ 0 0 160 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 116.3 48.8 -56.7 -41.4 57.7 23.9 58.7 130 126 A D H X S+ 0 0 75 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.941 111.1 45.6 -66.3 -45.6 56.9 27.1 60.7 131 127 A I H X S+ 0 0 2 -4,-3.0 4,-2.9 1,-0.2 6,-0.3 0.896 110.7 54.8 -69.3 -34.3 56.1 25.5 64.1 132 128 A K H X>S+ 0 0 43 -4,-2.3 5,-1.8 -5,-0.3 4,-1.1 0.929 113.6 41.3 -61.2 -47.9 59.1 23.3 63.9 133 129 A E H <5S+ 0 0 155 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.881 114.9 51.7 -66.2 -42.6 61.4 26.3 63.4 134 130 A R H <5S+ 0 0 143 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.964 119.6 33.8 -63.3 -47.8 59.6 28.4 66.0 135 131 A L H <5S- 0 0 75 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.601 104.7-124.6 -84.3 -9.3 59.8 25.8 68.7 136 132 A G T <5 + 0 0 67 -4,-1.1 2,-0.2 -5,-0.3 -3,-0.2 0.842 68.6 126.4 67.1 35.5 63.1 24.4 67.7 137 133 A I < - 0 0 28 -5,-1.8 -1,-0.2 -6,-0.3 3,-0.1 -0.733 46.5-165.5-120.6 167.5 61.7 20.8 67.4 138 134 A D + 0 0 104 -2,-0.2 2,-1.2 -3,-0.1 -1,-0.1 0.523 63.1 93.7-129.9 -6.4 61.7 18.2 64.7 139 135 A N + 0 0 34 -26,-0.1 -22,-2.7 -7,-0.1 2,-0.4 -0.286 60.9 100.6 -90.0 51.0 59.1 15.6 65.7 140 136 A V E +e 117 0A 1 -2,-1.2 2,-0.4 -24,-0.2 -22,-0.2 -0.995 41.0 173.1-138.7 129.0 56.1 17.0 63.8 141 137 A I E -e 118 0A 2 -24,-2.3 -22,-3.4 -2,-0.4 2,-0.4 -0.994 22.3-136.5-134.7 141.2 54.8 15.7 60.5 142 138 A F E +e 119 0A 10 -2,-0.4 23,-3.1 23,-0.4 -22,-0.2 -0.812 20.4 176.4-100.1 140.4 51.6 16.6 58.6 143 139 A S - 0 0 0 -24,-2.5 21,-0.2 -2,-0.4 55,-0.0 -0.953 26.8-128.8-138.8 115.9 49.4 14.0 57.0 144 140 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 19,-0.4 -0.265 14.3-141.2 -63.5 152.4 46.1 15.0 55.3 145 141 A E - 0 0 17 -25,-0.3 17,-0.1 17,-0.1 -130,-0.0 -0.933 13.9-172.8-112.5 138.4 42.8 13.2 56.2 146 142 A F + 0 0 50 -2,-0.4 2,-0.2 15,-0.1 14,-0.1 -0.132 38.5 138.4-120.0 33.7 40.4 12.5 53.3 147 143 A L - 0 0 15 12,-0.0 2,-0.5 9,-0.0 5,-0.2 -0.556 48.3-137.9 -89.2 146.4 37.5 11.3 55.5 148 144 A R > - 0 0 141 3,-0.4 3,-2.8 -2,-0.2 7,-0.2 -0.901 31.6-112.3-100.0 127.5 33.8 12.0 55.2 149 145 A E T 3 S+ 0 0 147 -2,-0.5 -98,-0.1 1,-0.3 -1,-0.0 -0.316 107.3 29.5 -55.3 130.2 32.1 12.7 58.5 150 146 A G T 3 S+ 0 0 27 -100,-0.2 -98,-0.5 -99,-0.0 -1,-0.3 0.138 125.1 47.8 103.7 -21.0 29.7 9.9 59.1 151 147 A R S <> S+ 0 0 77 -3,-2.8 4,-2.6 -100,-0.1 -3,-0.4 -0.152 73.0 128.4-138.9 34.2 31.8 7.3 57.2 152 148 A A H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.914 76.4 39.7 -65.2 -47.1 35.1 8.2 58.9 153 149 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.914 114.7 55.0 -70.0 -37.3 36.2 4.8 59.9 154 150 A Y H > S+ 0 0 83 1,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.922 107.2 51.1 -57.8 -44.0 34.9 3.4 56.6 155 151 A D H < S+ 0 0 17 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.811 110.3 47.8 -66.8 -28.1 37.1 5.8 54.8 156 152 A N H < S+ 0 0 18 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.767 111.6 50.6 -80.5 -25.8 40.2 4.8 56.7 157 153 A L H < S+ 0 0 3 -4,-2.2 27,-2.5 1,-0.2 26,-2.0 0.729 127.3 25.7 -78.2 -21.2 39.5 1.1 56.1 158 154 A H S < S+ 0 0 58 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 -0.433 88.2 176.8-137.3 58.9 39.1 2.0 52.3 159 155 A P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.323 35.9-138.5 -71.9 150.5 41.2 5.1 51.7 160 156 A S S S- 0 0 60 1,-0.3 2,-0.3 -14,-0.1 -4,-0.0 0.907 83.1 -33.8 -64.8 -46.6 41.7 6.7 48.3 161 157 A R - 0 0 82 26,-0.1 2,-0.4 2,-0.0 -1,-0.3 -0.967 54.8-120.0-164.1 170.1 45.4 7.2 49.3 162 158 A I E -g 189 0C 9 26,-2.1 28,-3.0 -2,-0.3 2,-0.5 -0.994 25.1-173.9-122.7 128.6 47.7 7.8 52.2 163 159 A V E -g 190 0C 4 -2,-0.4 2,-0.5 -19,-0.4 28,-0.2 -0.994 3.5-173.5-125.0 125.8 49.9 10.9 52.1 164 160 A I E -g 191 0C 0 26,-2.2 28,-2.1 -2,-0.5 2,-1.4 -0.985 22.9-139.0-117.7 125.7 52.6 11.5 54.8 165 161 A G S S+ 0 0 3 -23,-3.1 -23,-0.4 -2,-0.5 2,-0.3 -0.111 78.3 71.1 -80.2 39.3 54.3 14.9 54.6 166 162 A E - 0 0 30 -2,-1.4 2,-0.9 27,-0.2 27,-0.2 -0.960 68.1-143.7-148.7 137.5 57.8 13.6 55.4 167 163 A R + 0 0 170 -2,-0.3 2,-0.3 24,-0.1 3,-0.1 -0.807 62.2 97.3-102.0 92.6 60.2 11.5 53.3 168 164 A S S > S- 0 0 43 -2,-0.9 4,-1.9 1,-0.1 5,-0.1 -0.971 84.8 -93.3-161.8 173.6 61.9 9.3 55.9 169 165 A A H > S+ 0 0 65 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.887 120.5 52.8 -65.0 -43.0 61.9 5.9 57.5 170 166 A R H > S+ 0 0 49 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.802 108.7 50.7 -69.3 -25.2 59.7 7.0 60.4 171 167 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.905 110.6 49.3 -72.8 -42.2 57.1 8.4 58.0 172 168 A E H X S+ 0 0 94 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.889 108.9 53.2 -61.8 -38.6 57.1 5.0 56.1 173 169 A R H X S+ 0 0 92 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.891 110.5 47.0 -63.7 -39.7 56.7 3.2 59.4 174 170 A F H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.907 108.9 53.2 -70.0 -41.7 53.6 5.3 60.2 175 171 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.922 105.5 57.2 -57.7 -39.6 52.1 4.8 56.7 176 172 A D H X S+ 0 0 68 -4,-2.2 4,-2.7 1,-0.3 -1,-0.2 0.908 102.0 54.4 -59.0 -41.1 52.5 1.0 57.4 177 173 A L H X S+ 0 0 1 -4,-1.4 4,-1.2 1,-0.2 -1,-0.3 0.891 108.2 49.2 -59.5 -38.7 50.4 1.3 60.5 178 174 A L H X S+ 0 0 6 -4,-1.5 4,-0.6 -3,-0.3 -1,-0.2 0.841 114.3 44.7 -69.7 -34.6 47.6 2.8 58.5 179 175 A K H < S+ 0 0 66 -4,-1.9 3,-0.4 2,-0.2 -2,-0.2 0.840 104.9 62.0 -80.0 -31.7 47.7 0.1 55.8 180 176 A E H < S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.875 108.9 42.1 -60.4 -37.3 47.9 -2.7 58.3 181 177 A G H < S+ 0 0 7 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.651 96.6 100.6 -86.9 -12.8 44.6 -1.9 59.7 182 178 A A < - 0 0 9 -4,-0.6 -25,-0.2 -3,-0.4 -24,-0.1 -0.275 61.5-149.7 -71.1 155.8 42.8 -1.2 56.4 183 179 A I S S+ 0 0 93 -26,-2.0 -25,-0.2 2,-0.1 -1,-0.1 0.872 81.4 80.8 -88.4 -48.1 40.5 -3.6 54.5 184 180 A K S S- 0 0 75 -27,-2.5 3,-0.3 1,-0.1 2,-0.2 -0.279 74.7-148.8 -57.7 138.4 41.6 -2.2 51.2 185 181 A Q S S+ 0 0 144 1,-0.2 -2,-0.1 -27,-0.1 -1,-0.1 -0.607 71.2 29.6-105.0 165.6 44.9 -3.7 49.9 186 182 A D S S- 0 0 158 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.866 75.7-171.2 56.2 40.2 47.4 -2.0 47.8 187 183 A I - 0 0 9 -3,-0.3 -1,-0.2 1,-0.1 -26,-0.1 -0.478 29.4-113.8 -67.9 125.4 46.6 1.5 49.0 188 184 A P - 0 0 76 0, 0.0 -26,-2.1 0, 0.0 2,-0.4 -0.395 39.8-166.0 -58.0 134.4 48.5 4.2 46.9 189 185 A T E -g 162 0C 41 -28,-0.2 2,-0.4 -2,-0.1 -26,-0.2 -0.986 9.1-171.6-132.4 128.1 50.9 5.8 49.3 190 186 A L E -g 163 0C 93 -28,-3.0 -26,-2.2 -2,-0.4 2,-0.5 -0.969 10.0-159.2-126.5 132.4 52.8 9.1 48.7 191 187 A F E +g 164 0C 48 -2,-0.4 2,-0.2 -28,-0.2 -26,-0.2 -0.942 25.0 164.5-109.1 123.9 55.6 10.7 50.7 192 188 A T - 0 0 19 -28,-2.1 2,-0.1 -2,-0.5 -2,-0.0 -0.737 40.7 -91.5-127.5 177.6 56.1 14.4 50.2 193 189 A D > - 0 0 92 -2,-0.2 4,-1.7 -27,-0.2 -27,-0.2 -0.359 52.3 -95.2 -83.6 176.8 57.9 17.2 51.9 194 190 A S H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 -68,-0.2 0.923 114.9 40.8 -64.8 -55.5 56.0 19.2 54.5 195 191 A T H > S+ 0 0 23 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.895 112.5 57.9 -65.8 -36.4 54.5 22.3 52.9 196 192 A E H >> S+ 0 0 114 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.898 105.4 50.7 -58.7 -43.5 53.5 20.3 49.7 197 193 A A H >X S+ 0 0 0 -4,-1.7 3,-0.7 1,-0.2 4,-0.5 0.914 106.2 54.6 -62.2 -41.9 51.4 17.9 51.8 198 194 A E H 3< S+ 0 0 8 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.743 107.0 52.3 -65.0 -18.2 49.6 20.8 53.5 199 195 A A H S+ 0 0 9 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.932 114.6 42.3 -63.2 -43.6 43.2 22.9 49.2 203 199 A F H X S+ 0 0 97 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.873 117.0 47.7 -72.3 -33.3 44.1 22.2 45.6 204 200 A A H X S+ 0 0 35 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.946 115.1 43.6 -71.0 -48.3 42.0 19.1 45.5 205 201 A N H X S+ 0 0 27 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.880 112.8 52.8 -63.6 -36.1 38.9 20.7 47.0 206 202 A T H X S+ 0 0 4 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.856 106.1 54.1 -68.8 -32.0 39.3 23.8 44.9 207 203 A Y H X S+ 0 0 134 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.908 108.1 49.9 -66.8 -42.2 39.4 21.6 41.7 208 204 A L H X S+ 0 0 48 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.887 110.7 48.8 -63.5 -39.0 36.2 20.0 42.8 209 205 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.900 110.5 53.1 -64.3 -38.4 34.6 23.4 43.3 210 206 A L H X S+ 0 0 59 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.944 108.3 48.9 -60.6 -44.4 36.0 24.4 39.9 211 207 A R H X S+ 0 0 32 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.939 112.7 46.9 -64.0 -47.8 34.3 21.4 38.3 212 208 A V H X S+ 0 0 22 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.934 113.2 49.7 -57.7 -45.6 31.0 22.1 39.9 213 209 A A H X S+ 0 0 5 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.891 110.4 51.2 -62.4 -36.6 31.3 25.8 38.9 214 210 A Y H X S+ 0 0 142 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.968 111.3 44.7 -68.1 -51.6 32.1 24.8 35.3 215 211 A F H X S+ 0 0 6 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.829 112.1 55.9 -62.6 -29.5 29.1 22.5 34.9 216 212 A N H X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.862 107.4 47.5 -67.9 -36.1 27.0 25.2 36.6 217 213 A E H X S+ 0 0 100 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.858 109.1 53.5 -72.5 -33.4 28.1 27.7 34.0 218 214 A L H X S+ 0 0 24 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.942 110.5 49.0 -63.3 -40.0 27.3 25.2 31.3 219 215 A D H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.872 106.5 54.4 -65.7 -37.8 23.9 24.9 32.9 220 216 A S H X S+ 0 0 18 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.930 110.6 47.8 -59.3 -45.6 23.4 28.8 33.0 221 217 A Y H X S+ 0 0 130 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.948 110.6 50.6 -60.6 -51.2 24.1 28.8 29.2 222 218 A A H X>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 4,-0.5 0.918 112.3 47.1 -55.7 -45.5 21.6 25.9 28.6 223 219 A E H ><5S+ 0 0 50 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.958 114.5 46.0 -64.3 -47.0 18.8 27.6 30.5 224 220 A S H 3<5S+ 0 0 75 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.814 116.4 44.7 -70.9 -21.8 19.4 30.9 28.8 225 221 A Q H 3<5S- 0 0 112 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.401 111.7-115.3-100.2 6.5 19.6 29.4 25.4 226 222 A G T <<5 + 0 0 71 -3,-1.3 2,-0.2 -4,-0.5 -3,-0.2 0.822 67.5 142.8 68.2 31.0 16.6 27.1 25.8 227 223 A L < - 0 0 84 -5,-2.9 2,-0.8 -6,-0.2 -1,-0.2 -0.660 60.9-104.1-107.8 160.4 18.7 23.9 25.6 228 224 A N > - 0 0 80 -2,-0.2 4,-1.6 1,-0.2 3,-0.2 -0.716 29.0-164.9 -85.4 109.0 18.5 20.5 27.4 229 225 A S H > S+ 0 0 7 -2,-0.8 4,-2.9 1,-0.2 5,-0.3 0.883 84.8 56.8 -64.2 -39.6 21.4 20.7 29.9 230 226 A K H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.865 103.4 54.0 -62.8 -36.9 21.3 16.9 30.5 231 227 A Q H > S+ 0 0 140 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.925 113.5 42.5 -64.6 -42.2 21.8 16.1 26.8 232 228 A I H X S+ 0 0 57 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.938 115.8 47.4 -69.1 -46.8 24.9 18.3 26.7 233 229 A I H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.923 112.2 48.8 -64.0 -43.5 26.4 17.1 30.1 234 230 A E H X S+ 0 0 95 -4,-2.6 4,-1.0 -5,-0.3 -1,-0.2 0.918 112.7 48.9 -64.5 -38.5 25.9 13.5 29.4 235 231 A G H < S+ 0 0 50 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.883 114.5 45.0 -66.4 -36.2 27.5 13.9 26.0 236 232 A V H >< S+ 0 0 46 -4,-2.4 3,-1.9 1,-0.2 7,-0.2 0.933 111.6 51.8 -70.0 -46.2 30.4 15.8 27.4 237 233 A C H 3< S+ 0 0 1 -4,-3.2 6,-0.3 1,-0.3 -1,-0.2 0.616 90.1 75.4 -74.6 -7.6 30.9 13.4 30.3 238 234 A L T 3< S+ 0 0 130 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.1 0.543 73.0 98.0 -76.2 -8.7 31.0 10.3 28.1 239 235 A D S X> S- 0 0 44 -3,-1.9 4,-2.9 1,-0.1 3,-2.3 -0.749 76.4-146.1 -73.6 119.1 34.6 11.6 27.3 240 236 A P T 34 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.715 95.4 65.9 -66.6 -12.6 36.6 9.4 29.7 241 237 A R T 34 S+ 0 0 216 1,-0.1 -4,-0.1 2,-0.1 -3,-0.1 0.609 115.9 30.1 -79.2 -5.1 39.2 12.1 30.2 242 238 A I T <4 S- 0 0 63 -3,-2.3 3,-0.3 -6,-0.2 -5,-0.1 0.719 97.1-165.8-117.9 -48.6 36.3 14.1 31.9 243 239 A G < - 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