==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-AUG-12 4GQS . COMPND 2 MOLECULE: CYTOCHROME P450 2C19; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.L.REYNALD,S.SANSEN,C.D.STOUT,E.F.JOHNSON . 1834 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 83096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1265 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 6.0 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 . 7 0.4 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 . 3 0.2 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 . 76 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 236 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 750 40.9 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 7 6 1 3 6 0 1 2 4 0 15 3 4 6 6 0 0 0 0 1 1 0 1 1 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 . 16 8 1 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 4 0 2 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 29 A L 0 0 86 0, 0.0 352,-0.1 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 136.9 -83.0 17.8 -14.6 2 30 A P - 0 0 7 0, 0.0 36,-0.2 0, 0.0 35,-0.2 -0.239 360.0-101.6 -62.5 152.6 -79.3 17.6 -15.7 3 31 A P + 0 0 48 0, 0.0 35,-3.6 0, 0.0 30,-0.1 -0.022 53.0 143.2 -67.1 178.1 -76.8 20.0 -14.1 4 32 A G - 0 0 26 33,-0.2 35,-0.1 28,-0.1 2,-0.1 -0.877 51.8 -50.8 161.9 167.1 -75.5 23.1 -15.8 5 33 A P - 0 0 10 0, 0.0 35,-0.1 0, 0.0 11,-0.1 -0.364 61.6-107.6 -63.2 136.9 -74.4 26.8 -15.5 6 34 A T - 0 0 98 1,-0.1 2,-0.4 -2,-0.1 33,-0.0 -0.476 38.2-129.0 -65.9 132.0 -77.0 29.0 -13.7 7 35 A P - 0 0 53 0, 0.0 6,-0.2 0, 0.0 5,-0.1 -0.701 13.6-124.7 -90.7 134.2 -78.6 31.2 -16.3 8 36 A L B > -A 12 0A 45 4,-1.8 4,-1.1 -2,-0.4 6,-0.1 -0.250 36.6 -94.1 -68.0 161.6 -78.8 35.0 -15.8 9 37 A P T 4 S- 0 0 133 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.847 108.7 -0.3 -43.2 -58.1 -82.3 36.8 -16.0 10 38 A V T 4 S+ 0 0 111 2,-0.1 32,-0.3 1,-0.0 -2,-0.0 0.760 132.6 50.4-110.3 -33.6 -82.4 37.8 -19.7 11 39 A I T >4 S- 0 0 72 1,-0.2 3,-2.1 30,-0.1 4,-0.1 0.513 83.3-169.1 -85.1 -4.8 -79.2 36.7 -21.4 12 40 A G B 3< -A 8 0A 8 -4,-1.1 -4,-1.8 1,-0.3 3,-0.4 -0.230 63.5 -23.5 54.8-135.1 -79.5 33.2 -20.1 13 41 A N T > S+ 0 0 0 27,-3.1 3,-2.5 -6,-0.2 4,-0.3 0.214 101.8 116.5 -93.3 13.2 -76.4 31.0 -20.5 14 42 A I G X + 0 0 86 -3,-2.1 3,-2.3 1,-0.3 -1,-0.2 0.858 66.9 62.5 -49.2 -42.9 -75.2 33.2 -23.4 15 43 A L G 3 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.512 99.2 58.0 -64.6 -2.5 -72.1 34.3 -21.5 16 44 A Q G < S+ 0 0 49 -3,-2.5 2,-0.4 -11,-0.1 -1,-0.3 0.481 96.2 77.2-102.7 -7.3 -71.0 30.6 -21.5 17 45 A I < - 0 0 28 -3,-2.3 2,-1.1 -4,-0.3 5,-0.1 -0.893 65.6-150.9-111.6 134.1 -71.1 30.4 -25.3 18 46 A D > - 0 0 75 -2,-0.4 3,-3.8 3,-0.3 7,-0.2 -0.794 14.0-158.3 -99.9 88.7 -68.4 31.7 -27.7 19 47 A I G > S+ 0 0 90 -2,-1.1 3,-0.6 1,-0.3 -1,-0.2 0.694 86.3 72.2 -40.0 -28.5 -70.7 32.4 -30.7 20 48 A K G 3 S+ 0 0 157 1,-0.3 -1,-0.3 2,-0.1 427,-0.1 0.631 121.4 9.6 -66.5 -11.6 -67.6 32.2 -32.9 21 49 A D G <> + 0 0 54 -3,-3.8 4,-1.9 425,-0.1 -3,-0.3 -0.381 66.4 172.9-168.2 77.0 -67.6 28.4 -32.3 22 50 A V H <> S+ 0 0 36 -3,-0.6 4,-2.1 2,-0.2 5,-0.2 0.938 81.9 57.8 -54.5 -51.3 -70.7 27.1 -30.5 23 51 A S H >> S+ 0 0 8 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.933 107.3 44.7 -43.1 -65.5 -69.6 23.5 -31.0 24 52 A K H 3> S+ 0 0 103 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.865 108.8 60.1 -49.1 -41.7 -66.3 24.0 -29.2 25 53 A S H 3X S+ 0 0 10 -4,-1.9 4,-1.8 -7,-0.2 -1,-0.3 0.910 104.0 48.5 -55.1 -46.9 -68.2 25.9 -26.5 26 54 A L H < S+ 0 0 29 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.879 110.2 53.2 -61.1 -37.3 -65.6 22.8 -23.0 29 57 A L H >X S+ 0 0 8 -4,-1.8 4,-2.2 1,-0.2 3,-1.4 0.810 100.6 59.9 -67.3 -30.6 -68.8 22.8 -20.9 30 58 A S H 3X S+ 0 0 19 -4,-1.6 4,-1.5 -3,-0.3 -1,-0.2 0.767 90.7 70.7 -68.3 -24.2 -68.9 19.0 -20.9 31 59 A K H << S+ 0 0 95 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.358 112.6 29.1 -73.1 7.5 -65.6 19.1 -19.2 32 60 A I H <4 S+ 0 0 34 -3,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.599 129.9 30.5-130.6 -49.2 -67.5 20.4 -16.2 33 61 A Y H < S- 0 0 58 -4,-2.2 3,-0.5 1,-0.3 -3,-0.2 0.334 102.9-127.5-100.2 5.1 -71.1 19.1 -16.2 34 62 A G < - 0 0 25 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 -0.311 50.8 -38.3 83.5-167.8 -70.3 15.8 -17.9 35 63 A P S S+ 0 0 56 0, 0.0 15,-3.0 0, 0.0 2,-0.4 0.600 130.2 48.0 -70.8 -13.9 -71.9 14.2 -21.1 36 64 A V E +B 49 0B 5 -3,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.944 69.9 143.5-135.8 114.3 -75.4 15.5 -20.0 37 65 A F E -B 48 0B 0 11,-1.3 11,-2.9 -2,-0.4 2,-0.3 -0.979 38.7-118.6-147.1 158.2 -76.1 19.0 -19.0 38 66 A T E -B 47 0B 7 -35,-3.6 2,-0.3 -2,-0.3 9,-0.2 -0.686 25.6-176.4-100.3 151.7 -78.8 21.7 -19.2 39 67 A L E -B 46 0B 0 7,-2.7 7,-2.8 -2,-0.3 2,-0.4 -0.968 14.8-143.0-143.0 157.0 -78.6 25.1 -20.8 40 68 A Y E +B 45 0B 73 -2,-0.3 -27,-3.1 5,-0.2 2,-0.4 -0.982 19.8 167.9-129.7 125.3 -80.9 28.2 -21.2 41 69 A F E > -B 44 0B 31 3,-2.6 3,-2.8 -2,-0.4 2,-0.2 -0.985 66.7 -42.2-135.9 122.3 -81.1 30.4 -24.3 42 70 A G T 3 S- 0 0 36 -2,-0.4 149,-0.2 1,-0.3 148,-0.1 -0.438 122.7 -29.9 60.5-123.0 -83.9 33.0 -24.7 43 71 A L T 3 S+ 0 0 132 147,-1.8 2,-0.6 -2,-0.2 -1,-0.3 0.264 119.3 103.2-106.9 8.0 -87.1 31.2 -23.6 44 72 A E E < -B 41 0B 26 -3,-2.8 -3,-2.6 313,-0.0 2,-0.4 -0.839 53.5-162.2-102.7 119.3 -85.7 27.8 -24.7 45 73 A R E -B 40 0B 90 -2,-0.6 313,-0.8 -5,-0.2 2,-0.3 -0.749 19.4-176.3 -92.0 140.5 -84.3 25.3 -22.2 46 74 A M E -Bc 39 358B 11 -7,-2.8 -7,-2.7 -2,-0.4 2,-0.5 -0.992 25.3-141.7-144.8 151.6 -82.1 22.6 -23.7 47 75 A V E -Bc 38 359B 0 311,-2.3 313,-2.2 -2,-0.3 2,-0.5 -0.946 20.0-147.6-112.7 122.0 -80.2 19.4 -22.8 48 76 A V E -Bc 37 360B 0 -11,-2.9 -11,-1.3 -2,-0.5 2,-0.7 -0.768 3.1-157.2 -93.5 129.1 -76.8 18.8 -24.4 49 77 A L E +Bc 36 361B 0 311,-2.7 313,-2.3 -2,-0.5 2,-0.5 -0.893 19.0 177.1-106.6 105.0 -75.8 15.2 -25.1 50 78 A H + 0 0 26 -15,-3.0 4,-0.3 -2,-0.7 313,-0.1 -0.933 42.5 36.9-114.6 128.3 -72.0 15.1 -25.4 51 79 A G S > S- 0 0 20 -2,-0.5 4,-2.0 311,-0.5 3,-0.2 0.233 84.8 -96.4 106.7 131.6 -70.0 11.9 -25.9 52 80 A Y H > S+ 0 0 35 313,-0.3 4,-2.6 1,-0.2 5,-0.3 0.853 116.9 62.4 -42.0 -50.1 -70.8 8.8 -28.0 53 81 A E H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.929 110.9 33.8 -42.9 -68.4 -72.2 7.0 -25.0 54 82 A V H > S+ 0 0 0 -4,-0.3 4,-0.8 -3,-0.2 -1,-0.2 0.809 115.2 59.6 -61.9 -31.8 -75.1 9.3 -24.2 55 83 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.876 112.2 37.9 -64.6 -44.9 -75.6 10.0 -27.9 56 84 A K H X>S+ 0 0 59 -4,-2.6 4,-1.7 -3,-0.4 5,-1.5 0.861 111.1 57.9 -68.1 -42.9 -76.3 6.4 -28.8 57 85 A E H <>S+ 0 0 60 -4,-2.3 5,-1.0 -5,-0.3 -2,-0.2 0.697 120.4 33.1 -63.5 -19.0 -78.2 5.6 -25.6 58 86 A A H <5S+ 0 0 0 -4,-0.8 8,-0.4 -5,-0.2 -2,-0.2 0.866 123.5 36.7-101.4 -60.6 -80.5 8.4 -26.8 59 87 A L H <5S+ 0 0 4 -4,-2.5 345,-0.5 -5,-0.2 -3,-0.2 0.873 133.4 23.2 -62.7 -39.7 -80.7 8.4 -30.6 60 88 A I T ><5S+ 0 0 90 -4,-1.7 3,-2.4 -5,-0.3 4,-0.2 0.916 128.1 33.4 -93.9 -79.4 -80.6 4.7 -30.9 61 89 A D T 3 >4 S+ 0 0 81 -3,-0.3 3,-0.9 1,-0.2 -1,-0.2 0.819 109.8 50.8 -56.1 -36.2 -88.6 6.8 -30.3 65 93 A E G <4 S+ 0 0 50 -3,-0.6 278,-2.5 1,-0.2 279,-0.4 0.815 116.2 41.5 -73.4 -28.9 -88.4 9.2 -27.4 66 94 A F G << S+ 0 0 4 -4,-1.6 -1,-0.2 -3,-0.6 275,-0.2 0.084 86.7 98.9-103.3 22.4 -85.7 11.2 -29.1 67 95 A S < + 0 0 7 -3,-0.9 -1,-0.2 -5,-0.1 275,-0.1 0.493 59.5 105.5 -85.7 -4.2 -87.4 11.1 -32.5 68 96 A G E S-D 341 0B 5 273,-1.3 273,-1.2 -3,-0.4 2,-0.4 -0.409 72.8-117.9 -78.9 154.2 -89.0 14.6 -32.0 69 97 A R E -D 340 0B 22 271,-0.3 271,-0.3 18,-0.2 3,-0.1 -0.757 33.3-108.7 -92.9 134.1 -87.8 17.7 -33.7 70 98 A G - 0 0 0 269,-3.2 2,-0.2 -2,-0.4 271,-0.2 -0.167 46.6 -83.9 -58.1 152.5 -86.4 20.6 -31.6 71 99 A H - 0 0 82 269,-0.3 -1,-0.1 285,-0.2 269,-0.0 -0.399 49.6-177.4 -61.6 124.6 -88.5 23.7 -31.2 72 100 A F > - 0 0 24 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.892 17.3-175.4-130.2 101.5 -87.9 26.0 -34.2 73 101 A P T 4 S+ 0 0 12 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.851 91.1 48.5 -62.2 -33.6 -89.7 29.4 -34.2 74 102 A L T >> S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 3,-0.7 0.947 113.3 44.0 -70.8 -51.6 -88.3 30.1 -37.6 75 103 A A H 3>>S+ 0 0 5 1,-0.2 4,-3.1 2,-0.2 5,-0.8 0.886 112.6 51.9 -62.1 -41.9 -89.2 26.7 -39.2 76 104 A E H 3<5S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.641 109.0 53.2 -70.9 -14.1 -92.7 26.7 -37.7 77 105 A R H <45S+ 0 0 108 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.802 117.9 34.0 -87.4 -34.5 -93.2 30.2 -39.1 78 106 A A H <5S+ 0 0 12 -4,-1.6 -2,-0.2 -3,-0.1 -3,-0.2 0.810 134.9 22.1 -90.8 -35.4 -92.3 29.2 -42.7 79 107 A N T ><5S- 0 0 9 -4,-3.1 3,-1.1 -5,-0.2 -3,-0.2 0.773 80.2-150.4-103.0 -34.7 -93.6 25.7 -42.8 80 108 A R T 3 S+ 0 0 7 177,-0.2 3,-1.5 178,-0.1 12,-0.1 0.815 108.9 59.7-105.9 -59.1 -90.2 16.5 -43.4 85 113 A V T 3 S+ 0 0 30 1,-0.3 -2,-0.1 177,-0.1 -3,-0.0 0.752 123.6 21.1 -45.0 -36.0 -87.3 18.3 -41.7 86 114 A F T 3 S+ 0 0 38 -4,-0.3 -1,-0.3 -11,-0.1 -14,-0.1 0.180 97.9 109.4-125.3 20.0 -89.5 20.0 -39.2 87 115 A S < - 0 0 2 -3,-1.5 2,-0.3 4,-0.1 -18,-0.2 -0.329 43.1-170.6 -87.4 174.7 -92.7 17.9 -39.0 88 116 A N >> + 0 0 71 -7,-0.3 4,-1.0 -20,-0.1 3,-0.5 -0.957 39.8 14.9-156.9 173.3 -93.8 15.7 -36.1 89 117 A G H >> S- 0 0 54 -2,-0.3 4,-1.7 1,-0.2 3,-0.7 -0.158 122.8 -16.6 55.6-148.7 -96.2 13.1 -34.9 90 118 A K H 3> S+ 0 0 166 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 137.5 60.2 -51.9 -47.0 -98.3 11.3 -37.6 91 119 A R H <> S+ 0 0 68 -3,-0.5 4,-1.9 1,-0.2 5,-0.3 0.853 107.0 46.0 -50.8 -41.7 -97.4 14.0 -40.1 92 120 A W H < S+ 0 0 24 -4,-2.2 3,-1.4 -5,-0.2 -2,-0.2 0.878 113.4 54.9 -67.1 -43.7 -89.1 4.7 -50.4 102 130 A T H 3< S+ 0 0 9 -4,-2.7 5,-0.2 -5,-0.3 -2,-0.2 0.780 108.9 52.7 -62.3 -26.3 -89.8 7.1 -53.3 103 131 A L T 3< S+ 0 0 29 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.503 81.0 120.8 -89.3 -4.7 -86.1 8.0 -53.0 104 132 A R S X S- 0 0 65 -3,-1.4 3,-2.8 1,-0.1 4,-0.2 -0.200 87.3 -96.9 -55.6 153.1 -84.9 4.4 -53.3 105 133 A N T 3 S+ 0 0 60 1,-0.3 8,-1.8 2,-0.1 9,-0.2 0.804 125.8 18.5 -42.9 -37.2 -82.6 3.8 -56.2 106 134 A F T 3 S+ 0 0 45 6,-0.2 3,-0.4 643,-0.1 -1,-0.3 -0.166 92.2 115.0-128.2 39.1 -85.7 2.5 -58.2 107 135 A G S < S+ 0 0 14 -3,-2.8 -2,-0.1 1,-0.2 -3,-0.1 0.377 77.9 41.0 -91.2 4.9 -88.5 4.0 -56.1 108 136 A M S S- 0 0 3 1,-0.4 -1,-0.2 -4,-0.2 3,-0.2 -0.311 116.4 -46.0-150.2 62.5 -89.8 6.4 -58.7 109 137 A G S S- 0 0 3 -3,-0.4 -1,-0.4 641,-0.2 124,-0.1 -0.432 79.2 -55.3 108.2 176.9 -89.9 4.9 -62.2 110 138 A K S S+ 0 0 108 122,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.832 111.4 83.5 -64.2 -34.6 -87.8 2.9 -64.7 111 139 A R S S- 0 0 75 -3,-0.2 -3,-0.2 1,-0.1 5,-0.0 -0.622 78.8-137.8 -78.2 120.4 -85.0 5.5 -64.4 112 140 A S > - 0 0 18 -2,-0.5 4,-0.6 1,-0.1 -6,-0.2 -0.215 17.0-117.6 -71.9 165.2 -82.8 4.9 -61.3 113 141 A I H >> S+ 0 0 7 -8,-1.8 4,-1.6 1,-0.2 3,-1.1 0.905 114.0 58.7 -68.9 -42.7 -81.5 7.6 -59.1 114 142 A E H 3> S+ 0 0 23 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.786 95.3 64.3 -57.9 -30.0 -77.9 6.8 -60.0 115 143 A D H 3> S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.858 103.9 47.5 -63.3 -34.8 -78.7 7.5 -63.6 116 144 A R H <>S+ 0 0 0 -4,-1.8 3,-0.6 -5,-0.2 5,-0.5 0.832 101.8 55.8 -61.7 -32.6 -64.8 21.8 -65.4 129 157 A R H ><5S+ 0 0 99 -4,-1.5 3,-2.7 1,-0.2 -1,-0.2 0.883 96.6 64.6 -66.6 -38.0 -63.2 21.5 -68.8 130 158 A K H 3<5S+ 0 0 113 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.794 86.6 69.8 -55.2 -30.4 -64.6 24.9 -69.8 131 159 A T T X<5S- 0 0 21 -4,-0.8 3,-2.0 -3,-0.6 -1,-0.3 0.697 99.1-143.0 -61.8 -15.8 -62.4 26.5 -67.2 132 160 A K T < 5 - 0 0 179 -3,-2.7 -2,-0.1 1,-0.3 -3,-0.1 0.831 57.7 -64.9 54.8 37.1 -59.6 25.5 -69.6 133 161 A A T 3 - 0 0 48 -2,-0.3 3,-0.8 319,-0.2 4,-0.5 -0.889 19.2-162.0-103.2 111.2 -63.4 29.0 -57.7 138 166 A P T 3> + 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.527 69.0 99.3 -68.4 -5.7 -65.2 25.6 -57.6 139 167 A T T 34 S+ 0 0 53 1,-0.2 4,-0.2 2,-0.2 140,-0.1 0.894 86.7 38.5 -48.2 -50.4 -67.8 27.1 -55.2 140 168 A F T X> S+ 0 0 107 -3,-0.8 3,-1.8 2,-0.2 4,-1.8 0.980 119.0 44.1 -67.5 -59.4 -70.4 27.8 -58.0 141 169 A I H 3> S+ 0 0 25 -4,-0.5 4,-1.6 1,-0.3 3,-0.3 0.920 111.4 53.6 -52.5 -50.9 -69.9 24.7 -60.1 142 170 A L H 3< S+ 0 0 1 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.556 110.6 51.2 -63.9 -6.2 -69.8 22.3 -57.1 143 171 A G H <> S+ 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1,-0.2 5,-0.2 0.953 113.5 47.2 -61.2 -51.4 -89.9 -43.8 -59.5 669 237 B L H X S+ 0 0 31 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.858 111.8 54.8 -58.0 -34.4 -93.6 -43.3 -60.1 670 238 B A H X S+ 0 0 45 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.977 111.8 39.8 -62.8 -57.8 -94.1 -46.9 -58.9 671 239 B F H X S+ 0 0 112 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.843 117.0 52.9 -60.2 -33.8 -92.3 -46.4 -55.6 672 240 B M H X S+ 0 0 7 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.898 111.7 43.9 -68.9 -41.8 -94.0 -43.0 -55.3 673 241 B E H X S+ 0 0 40 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.885 110.9 54.8 -70.4 -39.9 -97.4 -44.5 -55.8 674 242 B S H X S+ 0 0 67 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.867 108.7 48.7 -61.7 -37.0 -96.7 -47.4 -53.5 675 243 B D H X S+ 0 0 79 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.813 107.6 54.4 -72.7 -30.2 -95.8 -44.9 -50.7 676 244 B I H X S+ 0 0 8 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.826 106.9 52.5 -70.4 -30.4 -99.0 -43.0 -51.4 677 245 B L H X S+ 0 0 73 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.889 105.8 53.0 -70.0 -40.4 -100.8 -46.3 -50.9 678 246 B 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46.1-133.8-167.4 175.8 -110.4 -41.6 -39.4 688 256 B D > - 0 0 68 3,-0.3 3,-2.3 -2,-0.3 5,-0.1 -0.837 7.2-154.2-149.8 105.8 -113.7 -39.9 -38.8 689 257 B I T 3 S+ 0 0 100 -2,-0.3 -1,-0.1 1,-0.3 12,-0.0 0.654 98.5 59.8 -53.2 -15.4 -116.4 -39.7 -41.5 690 258 B N T 3 S+ 0 0 125 1,-0.2 -1,-0.3 -3,-0.0 11,-0.0 0.705 110.7 36.0 -88.1 -22.1 -117.6 -36.5 -39.8 691 259 B N S < S- 0 0 75 -3,-2.3 2,-0.7 -117,-0.0 -3,-0.3 -0.861 73.1-147.0-139.1 104.1 -114.4 -34.6 -40.2 692 260 B P - 0 0 30 0, 0.0 -117,-0.4 0, 0.0 -3,-0.1 -0.557 7.9-166.9 -70.9 108.7 -112.2 -34.9 -43.3 693 261 B R - 0 0 71 -2,-0.7 2,-0.2 -119,-0.1 -117,-0.1 0.869 65.2 -39.2 -63.2 -37.9 -108.5 -34.5 -42.2 694 262 B D S > S- 0 0 0 -121,-0.1 4,-2.3 -75,-0.1 5,-0.2 -0.869 85.9 -50.3-165.4-164.5 -107.4 -34.0 -45.7 695 263 B F H > S+ 0 0 0 -77,-3.3 4,-2.3 -2,-0.2 -76,-0.2 0.922 126.8 52.3 -51.9 -54.7 -107.8 -35.2 -49.3 696 264 B I H > S+ 0 0 1 -77,-1.0 4,-3.1 1,-0.2 5,-0.3 0.902 110.7 49.3 -51.2 -46.5 -107.5 -39.0 -48.6 697 265 B D H > S+ 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10.2 -32.7 1558 209 D S S < S+ 0 0 34 -4,-2.8 267,-0.3 -5,-0.2 -1,-0.2 0.793 85.2 109.8 -53.0 -30.0 -9.8 13.6 -33.9 1559 210 D T S >> S- 0 0 40 -5,-0.3 4,-1.5 -4,-0.3 3,-0.7 -0.175 79.0-128.1 -49.6 135.8 -6.8 11.7 -35.1 1560 211 D P H 3> S+ 0 0 75 0, 0.0 4,-1.5 0, 0.0 5,-0.3 0.748 105.5 68.1 -60.4 -22.9 -6.7 11.6 -39.0 1561 212 D W H 3> S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 3,-0.1 0.927 110.6 30.7 -63.0 -46.4 -6.2 7.8 -38.7 1562 213 D I H <4 S+ 0 0 6 -3,-0.7 -1,-0.2 -6,-0.4 4,-0.2 0.628 111.9 68.3 -86.2 -14.6 -9.8 7.3 -37.4 1563 214 D Q H < S+ 0 0 32 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.820 117.0 23.7 -71.8 -31.0 -10.9 10.3 -39.3 1564 215 D I H >X S+ 0 0 62 -4,-1.5 3,-1.2 -5,-0.1 4,-0.9 0.711 113.5 66.7-103.7 -30.5 -10.4 8.3 -42.5 1565 216 D C T 3< S+ 0 0 13 -4,-1.8 7,-0.3 -5,-0.3 -2,-0.1 0.401 92.8 66.2 -73.3 5.2 -10.6 4.8 -41.2 1566 217 D N T 34 S+ 0 0 21 -4,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.709 92.5 58.7 -95.3 -26.5 -14.3 5.5 -40.5 1567 218 D N T <4 S+ 0 0 37 -3,-1.2 -137,-0.3 1,-0.2 -138,-0.3 0.942 107.6 48.2 -65.8 -48.4 -15.1 5.8 -44.2 1568 219 D F S X S- 0 0 56 -4,-0.9 4,-0.6 1,-0.2 3,-0.3 -0.841 71.3-165.2 -99.3 105.3 -13.9 2.3 -44.9 1569 220 D P H >> S+ 0 0 77 0, 0.0 4,-1.8 0, 0.0 3,-0.9 0.877 87.3 55.1 -54.5 -43.9 -15.5 -0.1 -42.3 1570 221 D T H 3>>S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 5,-0.9 0.879 92.8 70.5 -59.5 -41.4 -13.0 -3.0 -43.1 1571 222 D I H 345S+ 0 0 32 -3,-0.3 4,-0.3 1,-0.3 -1,-0.2 0.807 115.0 25.7 -46.4 -36.8 -10.0 -0.8 -42.5 1572 223 D I H <<5S+ 0 0 14 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.657 115.3 65.0-102.1 -22.1 -10.8 -0.8 -38.8 1573 224 D D H <5S+ 0 0 71 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.818 123.7 11.8 -71.2 -32.5 -12.7 -4.1 -38.7 1574 225 D Y T <5S+ 0 0 91 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.716 116.7 70.3-115.3 -35.2 -9.7 -6.3 -39.7 1575 226 D F S - 0 0 31 -5,-0.1 3,-1.5 -15,-0.0 4,-0.3 -0.972 68.7 -51.8 178.2-168.3 -4.7 0.5 -34.9 1578 229 D T T 3 S+ 0 0 75 -2,-0.3 4,-0.3 1,-0.2 -19,-0.1 0.116 119.4 72.7 -78.5 24.8 -5.2 3.3 -32.4 1579 230 D H T 3> S+ 0 0 10 2,-0.1 4,-1.4 3,-0.1 -1,-0.2 0.549 76.4 73.7-110.6 -16.6 -8.9 2.7 -32.5 1580 231 D N H <> S+ 0 0 81 -3,-1.5 4,-0.7 1,-0.2 -2,-0.1 0.795 97.5 50.8 -67.3 -28.8 -8.9 -0.6 -30.6 1581 232 D K H > S+ 0 0 94 -4,-0.3 4,-3.3 2,-0.2 5,-0.2 0.874 100.9 59.6 -77.7 -39.5 -8.2 1.4 -27.4 1582 233 D L H > S+ 0 0 4 -4,-0.3 4,-2.8 1,-0.3 5,-0.2 0.922 110.0 43.8 -54.2 -45.7 -11.1 3.8 -27.9 1583 234 D L H X S+ 0 0 68 -4,-1.4 4,-1.0 1,-0.2 -1,-0.3 0.783 114.8 51.5 -68.8 -26.9 -13.5 0.9 -27.9 1584 235 D K H X S+ 0 0 124 -4,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.831 111.2 46.7 -77.6 -34.8 -11.5 -0.5 -25.0 1585 236 D N H X S+ 0 0 2 -4,-3.3 4,-3.8 2,-0.2 5,-0.3 0.938 112.4 47.7 -72.1 -49.3 -11.8 2.8 -23.1 1586 237 D L H X S+ 0 0 27 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.2 0.834 114.6 50.8 -60.4 -31.1 -15.5 3.2 -23.7 1587 238 D A H X S+ 0 0 43 -4,-1.0 4,-2.8 -5,-0.2 3,-0.4 0.982 114.4 39.5 -68.9 -60.0 -15.8 -0.4 -22.6 1588 239 D F H X S+ 0 0 116 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.920 116.6 51.5 -54.9 -46.4 -13.8 -0.0 -19.4 1589 240 D M H X S+ 0 0 11 -4,-3.8 4,-0.9 1,-0.2 -1,-0.3 0.811 110.8 51.5 -60.5 -29.6 -15.6 3.3 -18.8 1590 241 D E H >X S+ 0 0 23 -4,-1.0 4,-1.2 -3,-0.4 3,-0.9 0.955 103.3 54.9 -71.5 -53.7 -18.8 1.5 -19.4 1591 242 D S H >X S+ 0 0 70 -4,-2.8 3,-1.1 1,-0.3 4,-0.8 0.900 106.3 52.9 -45.7 -50.1 -18.1 -1.3 -16.8 1592 243 D D H >X S+ 0 0 92 -4,-1.9 4,-1.1 1,-0.3 3,-0.7 0.841 102.1 59.4 -56.9 -35.8 -17.5 1.3 -14.1 1593 244 D I H X S+ 0 0 43 -4,-1.1 4,-2.8 1,-0.2 3,-0.8 0.922 111.5 57.3 -51.7 -51.7 -23.0 2.9 -9.6 1597 248 D V H 3X S+ 0 0 0 -4,-1.6 4,-1.0 1,-0.3 -1,-0.2 0.909 107.9 47.2 -47.0 -50.8 -26.2 1.7 -11.3 1598 249 D K H 3X S+ 0 0 86 -4,-2.0 4,-0.7 1,-0.2 -1,-0.3 0.791 112.1 52.6 -63.4 -28.3 -26.2 -1.5 -9.1 1599 250 D E H XX S+ 0 0 87 -4,-1.4 3,-1.6 -3,-0.8 4,-1.6 0.958 106.4 48.3 -72.4 -53.1 -25.5 0.7 -6.1 1600 251 D H H 3< S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.725 107.0 63.8 -58.2 -18.8 -28.4 3.1 -6.5 1601 252 D Q H 3< S+ 0 0 87 -4,-1.0 -1,-0.3 -5,-0.4 -2,-0.2 0.808 100.8 48.5 -74.4 -32.8 -30.3 -0.2 -7.0 1602 253 D E H << S+ 0 0 159 -3,-1.6 -2,-0.2 -4,-0.7 -1,-0.1 0.955 121.9 31.3 -72.8 -53.6 -29.5 -1.3 -3.4 1603 254 D S S < S+ 0 0 73 -4,-1.6 -1,-0.2 2,-0.0 -2,-0.2 0.252 89.4 147.8 -89.2 11.7 -30.6 1.9 -1.7 1604 255 D M - 0 0 46 -5,-0.3 2,-0.4 1,-0.1 -3,-0.1 -0.260 22.9-179.7 -53.4 123.5 -33.2 2.6 -4.3 1605 256 D D > - 0 0 74 3,-0.3 3,-1.8 1,-0.1 -1,-0.1 -0.827 17.2-159.0-130.8 91.5 -36.2 4.3 -2.9 1606 257 D I T 3 S+ 0 0 113 -2,-0.4 -1,-0.1 1,-0.3 12,-0.1 0.758 88.2 68.0 -37.9 -37.3 -38.8 5.0 -5.6 1607 258 D N T 3 S+ 0 0 122 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.915 114.1 20.6 -53.8 -48.8 -40.3 7.7 -3.4 1608 259 D N S < S- 0 0 122 -3,-1.8 2,-0.5 6,-0.0 -3,-0.3 -0.924 75.2-148.9-131.4 109.7 -37.3 10.0 -3.8 1609 260 D P - 0 0 63 0, 0.0 -3,-0.1 0, 0.0 3,-0.0 -0.628 1.4-160.0 -78.3 121.2 -34.8 9.6 -6.7 1610 261 D R - 0 0 55 -2,-0.5 2,-0.2 -10,-0.1 3,-0.0 0.868 66.5 -22.8 -67.9 -38.2 -31.3 10.6 -5.8 1611 262 D D S > S- 0 0 11 1,-0.1 4,-1.6 -11,-0.0 -79,-0.1 -0.836 83.1 -63.8-155.2-168.5 -30.1 11.1 -9.4 1612 263 D F H > S+ 0 0 11 -82,-1.1 4,-2.1 -81,-0.6 3,-0.4 0.934 125.5 53.5 -54.0 -52.7 -30.6 10.3 -13.1 1613 264 D I H > S+ 0 0 3 -82,-1.2 4,-3.0 1,-0.2 -1,-0.2 0.895 104.7 55.1 -51.4 -47.0 -29.8 6.6 -12.7 1614 265 D D H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.886 107.3 49.7 -57.0 -41.9 -32.5 6.3 -10.0 1615 266 D C H >X S+ 0 0 37 -4,-1.6 4,-2.9 -3,-0.4 3,-1.0 0.983 114.6 42.6 -60.5 -57.7 -35.1 7.7 -12.3 1616 267 D F H 3X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.3 -2,-0.2 0.871 112.9 56.3 -54.4 -37.3 -34.2 5.3 -15.1 1617 268 D L H 3< S+ 0 0 13 -4,-3.0 4,-0.4 -5,-0.3 -1,-0.3 0.807 110.4 44.0 -65.3 -31.1 -33.9 2.7 -12.4 1618 269 D I H XX S+ 0 0 19 -4,-1.7 4,-1.5 -3,-1.0 3,-1.4 0.924 112.4 49.6 -79.0 -49.0 -37.5 3.4 -11.4 1619 270 D K H 3< S+ 0 0 80 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.887 103.5 63.4 -55.8 -40.3 -38.9 3.5 -14.9 1620 271 D M T 3< S+ 0 0 38 -4,-2.4 3,-0.5 -5,-0.3 -1,-0.3 0.779 103.6 48.7 -55.2 -29.9 -37.1 0.2 -15.6 1621 272 D E T X4 S+ 0 0 109 -3,-1.4 3,-1.2 -4,-0.4 4,-0.3 0.894 103.4 56.4 -79.3 -43.4 -39.4 -1.4 -12.9 1622 273 D K T 3< S+ 0 0 143 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.293 115.6 41.9 -73.2 12.8 -42.7 -0.0 -14.2 1623 274 D E T > S+ 0 0 47 -3,-0.5 3,-0.8 -4,-0.1 6,-0.3 0.348 76.4 105.9-136.8 -1.9 -41.9 -1.7 -17.5 1624 275 D K T < S+ 0 0 142 -3,-1.2 -2,-0.1 1,-0.3 -3,-0.1 0.815 86.7 49.6 -51.6 -32.8 -40.4 -5.0 -16.4 1625 276 D Q T 3 S+ 0 0 186 -4,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.812 99.3 82.0 -76.1 -30.9 -43.6 -6.7 -17.6 1626 277 D N < - 0 0 63 -3,-0.8 3,-0.1 1,-0.1 -3,-0.1 -0.504 59.3-167.8 -75.4 142.4 -43.4 -4.8 -20.9 1627 278 D Q S S+ 0 0 163 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.1 0.518 83.1 64.2-107.0 -10.2 -41.1 -6.3 -23.5 1628 279 D Q S S+ 0 0 143 -5,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.211 75.4 130.7 -95.8 13.3 -41.1 -3.3 -25.9 1629 280 D S - 0 0 21 -6,-0.3 3,-0.0 1,-0.1 -6,-0.0 -0.533 44.2-167.1 -74.1 127.4 -39.3 -1.3 -23.2 1630 281 D E S S+ 0 0 29 -2,-0.3 2,-1.0 1,-0.2 -1,-0.1 0.338 70.4 95.4 -91.0 4.6 -36.2 0.6 -24.3 1631 282 D F + 0 0 9 -12,-0.1 2,-0.2 4,-0.1 -1,-0.2 -0.516 53.4 138.7 -97.1 65.5 -35.5 1.1 -20.6 1632 283 D T > - 0 0 45 -2,-1.0 4,-1.7 1,-0.1 5,-0.1 -0.566 69.9-106.8-102.0 168.9 -33.1 -1.7 -20.0 1633 284 D I H > S+ 0 0 47 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.764 120.7 59.9 -65.7 -22.7 -29.9 -1.8 -17.9 1634 285 D E H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.969 104.8 44.0 -68.3 -55.7 -28.1 -1.9 -21.3 1635 286 D N H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.818 111.9 58.1 -59.3 -31.6 -29.5 1.4 -22.6 1636 287 D L H X S+ 0 0 3 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.980 106.6 43.3 -63.2 -59.7 -28.8 2.9 -19.2 1637 288 D V H X S+ 0 0 11 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.872 119.6 44.7 -55.1 -40.8 -25.1 2.3 -19.1 1638 289 D I H X S+ 0 0 11 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.896 109.3 55.0 -72.2 -41.1 -24.7 3.4 -22.7 1639 290 D T H X S+ 0 0 2 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.912 110.0 48.8 -57.4 -43.0 -26.9 6.4 -22.3 1640 291 D A H X S+ 0 0 6 -4,-2.5 4,-3.6 1,-0.2 5,-0.3 0.981 108.1 50.8 -60.0 -60.2 -24.7 7.5 -19.5 1641 292 D A H X S+ 0 0 13 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.815 112.2 52.1 -47.9 -33.8 -21.4 7.0 -21.4 1642 293 D D H >X S+ 0 0 18 -4,-1.9 4,-3.4 2,-0.2 3,-1.2 0.985 114.4 36.8 -68.3 -60.9 -23.0 9.1 -24.1 1643 294 D L H 3X S+ 0 0 34 -4,-2.5 4,-1.0 1,-0.3 5,-0.3 0.861 114.7 58.0 -60.2 -36.6 -24.1 12.1 -22.1 1644 295 D L H 3< S+ 0 0 3 -4,-3.6 4,-0.4 -5,-0.3 -1,-0.3 0.683 118.9 31.1 -68.1 -17.9 -20.9 11.8 -20.0 1645 296 D G H S+ 0 0 9 -4,-0.4 4,-1.9 -5,-0.3 5,-0.2 0.985 111.6 33.2 -58.6 -71.0 -17.4 17.1 -21.2 1649 300 D E H X S+ 0 0 33 -4,-0.6 4,-1.9 1,-0.2 5,-0.2 0.824 118.7 56.2 -58.8 -34.6 -15.1 17.9 -24.2 1650 301 D T H > S+ 0 0 51 -5,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.989 112.1 35.0 -64.0 -64.9 -17.8 20.0 -25.9 1651 302 D T H X S+ 0 0 8 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.849 118.4 57.3 -59.6 -35.0 -18.5 22.7 -23.2 1652 303 D S H >X S+ 0 0 7 -4,-1.9 4,-1.8 -5,-0.4 3,-1.5 0.993 102.5 47.8 -58.7 -70.7 -14.9 22.6 -22.1 1653 304 D T H 3X S+ 0 0 1 -4,-1.9 4,-1.1 1,-0.3 -1,-0.2 0.755 108.0 60.2 -43.9 -30.3 -13.1 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