==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-AUG-12 4GVR . COMPND 2 MOLECULE: METHENYLTETRAHYDROMETHANOPTERIN CYCLOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR V.UPADHYAY,U.DEMMER,E.WARKENTIN,J.MOLL,S.SHIMA,U.ERMLER . 945 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 695 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 76 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 4.1 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 6 4 0 7 4 0 0 9 0 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 3 0 6 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 2 3 6 6 0 0 3 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 0 0 3 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 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 0 116 0, 0.0 2,-0.6 0, 0.0 335,-0.1 0.000 360.0 360.0 360.0 149.9 -32.7 35.2 -1.9 2 2 A L - 0 0 10 334,-0.1 2,-0.8 335,-0.0 3,-0.1 -0.932 360.0-153.8-103.5 120.5 -33.6 34.5 1.7 3 3 A S > - 0 0 9 -2,-0.6 4,-2.9 1,-0.2 5,-0.3 -0.851 6.9-166.7 -98.2 105.8 -36.4 36.8 3.0 4 4 A V H > S+ 0 0 0 -2,-0.8 4,-2.1 1,-0.2 5,-0.2 0.846 89.4 50.2 -61.1 -31.1 -36.1 37.2 6.7 5 5 A N H > S+ 0 0 0 106,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.937 112.5 44.7 -74.4 -42.3 -39.5 38.9 6.9 6 6 A E H > S+ 0 0 99 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.955 116.6 46.3 -68.3 -41.7 -41.3 36.2 4.9 7 7 A I H X S+ 0 0 30 -4,-2.9 4,-1.0 1,-0.2 3,-0.3 0.929 115.6 45.7 -65.4 -43.2 -39.6 33.3 6.8 8 8 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 3,-0.3 0.874 104.7 62.3 -68.4 -34.4 -40.3 34.9 10.2 9 9 A A H X S+ 0 0 12 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.879 99.2 55.9 -59.0 -34.7 -44.0 35.7 9.2 10 10 A E H X S+ 0 0 133 -4,-1.3 4,-1.7 -3,-0.3 -1,-0.2 0.868 107.7 48.3 -63.8 -38.8 -44.6 32.0 8.9 11 11 A I H X S+ 0 0 23 -4,-1.0 4,-2.3 -3,-0.3 -2,-0.2 0.917 110.1 51.4 -70.6 -36.6 -43.4 31.4 12.4 12 12 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.937 107.4 53.2 -63.1 -45.8 -45.6 34.3 13.7 13 13 A E H X S+ 0 0 81 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.861 107.9 51.5 -55.2 -40.4 -48.6 32.7 12.0 14 14 A D H >< S+ 0 0 85 -4,-1.7 3,-1.1 2,-0.2 4,-0.5 0.917 107.1 52.8 -60.6 -46.1 -47.7 29.4 13.8 15 15 A M H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.900 104.3 57.5 -55.1 -39.7 -47.7 31.3 17.2 16 16 A L H >< S+ 0 0 32 -4,-2.1 3,-0.5 1,-0.3 -1,-0.3 0.746 101.9 55.8 -65.3 -20.9 -51.1 32.6 16.3 17 17 A D T << S+ 0 0 108 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.491 114.5 37.4 -83.6 -18.2 -52.4 29.0 16.0 18 18 A Y T <> S+ 0 0 122 -3,-1.5 4,-2.5 -4,-0.5 -1,-0.2 -0.129 70.9 138.1-126.7 41.2 -51.3 28.1 19.5 19 19 A E H <>>S+ 0 0 47 -3,-0.5 5,-2.3 1,-0.2 4,-1.0 0.923 75.9 44.0 -61.8 -40.5 -52.0 31.2 21.6 20 20 A E H 45S+ 0 0 98 2,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.898 114.5 48.4 -73.0 -42.4 -53.4 29.5 24.6 21 21 A E H 45S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.872 117.6 43.8 -59.8 -41.0 -50.8 26.7 24.7 22 22 A L H <5S- 0 0 11 -4,-2.5 26,-0.3 -7,-0.2 -2,-0.2 0.634 108.0-128.3 -85.7 -7.0 -48.2 29.3 24.4 23 23 A R T <5 + 0 0 87 -4,-1.0 21,-2.2 -3,-0.4 2,-0.2 0.873 66.6 123.7 60.7 44.5 -49.8 31.7 26.9 24 24 A I < - 0 0 11 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.736 46.4-151.6-124.5 170.3 -49.7 34.7 24.5 25 25 A E E -A 37 0A 113 12,-1.8 12,-3.4 -2,-0.2 2,-0.3 -0.970 5.9-162.6-149.7 129.8 -52.4 36.9 23.2 26 26 A S E -A 36 0A 39 -2,-0.3 2,-0.4 10,-0.3 10,-0.2 -0.801 0.6-163.3-109.5 157.2 -52.7 38.9 19.9 27 27 A K E -A 35 0A 137 8,-1.8 8,-3.1 -2,-0.3 2,-0.6 -0.990 16.9-138.0-135.7 136.9 -55.0 41.8 18.8 28 28 A K E -A 34 0A 141 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.871 29.1-139.5 -88.0 118.3 -55.7 43.0 15.3 29 29 A L > - 0 0 10 4,-3.2 3,-2.0 -2,-0.6 117,-0.0 -0.266 26.8 -99.2 -75.1 169.0 -55.6 46.8 15.4 30 30 A E T 3 S+ 0 0 182 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.759 126.6 51.6 -66.6 -20.9 -58.1 49.0 13.5 31 31 A N T 3 S- 0 0 35 2,-0.1 -1,-0.3 130,-0.1 -2,-0.0 0.374 124.1-105.2 -92.8 1.7 -55.5 49.5 10.7 32 32 A G S < S+ 0 0 12 -3,-2.0 -2,-0.1 1,-0.3 130,-0.1 0.267 72.6 141.2 99.6 -9.9 -55.0 45.7 10.5 33 33 A A - 0 0 0 -5,-0.1 -4,-3.2 130,-0.1 2,-0.6 -0.343 46.6-134.4 -65.1 147.8 -51.6 45.5 12.2 34 34 A I E -Ab 28 165A 21 130,-2.5 132,-2.4 -6,-0.2 2,-0.6 -0.917 16.2-166.4-112.7 120.6 -51.2 42.5 14.5 35 35 A V E -Ab 27 166A 8 -8,-3.1 -8,-1.8 -2,-0.6 2,-0.7 -0.928 5.3-160.8-107.7 116.7 -49.8 43.0 17.9 36 36 A V E -Ab 26 167A 0 130,-3.7 132,-2.1 -2,-0.6 2,-0.7 -0.842 8.3-149.2-101.6 107.1 -48.7 39.7 19.6 37 37 A D E +Ab 25 168A 4 -12,-3.4 -12,-1.8 -2,-0.7 7,-0.2 -0.682 22.3 171.6 -78.6 112.7 -48.4 40.1 23.4 38 38 A C S S- 0 0 0 130,-3.3 137,-0.3 -2,-0.7 7,-0.2 0.269 77.0 -18.0-105.2 7.4 -45.7 37.7 24.5 39 39 A G S S+ 0 0 9 129,-0.4 130,-0.2 -14,-0.1 -2,-0.1 0.494 103.8 94.6 170.4 14.4 -45.3 38.9 28.1 40 40 A V S S+ 0 0 33 128,-0.4 129,-0.1 1,-0.1 -3,-0.0 0.974 115.1 0.2 -81.9 -59.4 -46.7 42.3 28.9 41 41 A N S S+ 0 0 124 -16,-0.1 -1,-0.1 102,-0.0 -4,-0.0 0.203 132.6 58.3-113.7 12.0 -50.2 41.3 30.2 42 42 A V S S- 0 0 23 -17,-0.1 -18,-0.1 1,-0.0 -17,-0.1 -0.908 83.4-119.5-136.0 161.3 -49.8 37.5 29.7 43 43 A P - 0 0 65 0, 0.0 131,-0.6 0, 0.0 132,-0.3 0.806 39.0-159.8 -74.0 -25.9 -47.3 35.0 31.1 44 44 A G - 0 0 0 -21,-2.2 2,-0.3 -7,-0.2 -5,-0.1 -0.259 13.2-123.0 55.7-163.4 -45.7 33.8 27.8 45 45 A S > - 0 0 2 -7,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.972 22.2 -93.7-162.4 165.7 -43.9 30.5 27.9 46 46 A Y H > S+ 0 0 2 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.942 126.3 47.5 -54.9 -47.5 -40.5 28.7 27.1 47 47 A D H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.890 108.0 52.9 -72.0 -28.9 -41.7 27.9 23.6 48 48 A A H > S+ 0 0 0 -26,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.904 109.5 52.8 -66.8 -34.6 -43.0 31.4 23.0 49 49 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.916 109.2 47.6 -61.8 -51.8 -39.5 32.5 24.0 50 50 A I H X S+ 0 0 11 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.922 113.6 47.0 -53.0 -50.7 -38.0 30.1 21.5 51 51 A M H X S+ 0 0 32 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.881 109.5 53.2 -67.7 -37.0 -40.3 31.3 18.7 52 52 A Y H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.934 111.9 47.0 -59.9 -43.1 -39.6 35.0 19.5 53 53 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.894 110.8 50.5 -62.6 -45.3 -35.9 34.2 19.2 54 54 A Q H <>S+ 0 0 50 -4,-2.8 5,-2.7 1,-0.2 6,-0.3 0.912 111.9 49.1 -60.9 -43.6 -36.3 32.3 15.9 55 55 A V H ><5S+ 0 0 0 -4,-2.6 3,-1.9 3,-0.2 -2,-0.2 0.915 108.2 52.8 -59.4 -48.1 -38.3 35.3 14.6 56 56 A C H 3<5S+ 0 0 0 -4,-2.5 54,-0.2 1,-0.3 -1,-0.2 0.856 107.8 52.6 -53.9 -38.5 -35.6 37.7 15.7 57 57 A M T ><5S- 0 0 0 -4,-2.1 3,-1.9 35,-0.2 -1,-0.3 0.235 118.5-114.6 -85.7 16.5 -33.1 35.6 13.8 58 58 A G T < 5 - 0 0 0 -3,-1.9 -3,-0.2 1,-0.3 -50,-0.2 0.752 62.0 -69.6 58.7 25.9 -35.3 35.8 10.6 59 59 A G T 3 S-F 73 0B 2 3,-2.5 3,-2.3 -2,-0.3 -2,-0.0 -0.990 95.5 -18.0-122.8 124.0 -23.7 25.0 36.6 71 71 A N T 3 S- 0 0 123 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.908 130.1 -55.7 43.5 45.0 -21.9 23.8 39.7 72 72 A D T 3 S+ 0 0 85 1,-0.2 -1,-0.3 860,-0.0 844,-0.0 0.181 110.4 123.1 78.6 -13.9 -24.8 21.3 40.1 73 73 A V E < -F 70 0B 4 -3,-2.3 -3,-2.5 1,-0.1 -1,-0.2 -0.642 63.9-124.3 -79.8 126.5 -27.5 24.0 40.1 74 74 A P E +F 69 0B 0 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.498 37.0 166.7 -80.5 135.5 -30.0 23.2 37.3 75 75 A F E -F 68 0B 0 -7,-2.6 -7,-2.3 -2,-0.2 2,-0.4 -0.981 37.6-115.7-135.7 149.9 -30.8 25.9 34.7 76 76 A A E -F 67 0B 2 135,-0.3 135,-3.6 -2,-0.3 2,-0.4 -0.747 38.9-162.1 -77.8 140.9 -32.6 25.9 31.4 77 77 A F E -FG 66 210B 1 -11,-3.2 -11,-2.2 -2,-0.4 2,-0.5 -0.941 18.5-130.2-125.5 145.9 -30.1 26.8 28.6 78 78 A V E -FG 65 209B 0 131,-3.1 131,-2.3 -2,-0.4 2,-0.4 -0.792 22.2-174.3 -83.0 131.5 -30.5 28.1 25.1 79 79 A T E +FG 64 208B 6 -15,-2.4 -15,-2.7 -2,-0.5 2,-0.3 -0.997 20.9 155.9-119.7 132.0 -28.5 26.0 22.5 80 80 A E E -FG 63 207B 0 127,-2.2 127,-2.7 -2,-0.4 2,-0.3 -0.990 19.9-176.6-151.4 158.5 -28.6 27.6 19.0 81 81 A Y E -FG 62 206B 8 -19,-1.7 -19,-2.8 -2,-0.3 2,-0.3 -0.988 1.8-172.1-157.2 161.2 -26.7 27.7 15.7 82 82 A T E - G 0 205B 3 123,-2.5 123,-2.1 -2,-0.3 -21,-0.1 -0.973 24.0-158.0-157.1 140.3 -26.9 29.4 12.3 83 83 A D S S+ 0 0 11 -23,-0.4 -22,-0.1 -2,-0.3 3,-0.1 0.108 97.5 57.8-102.5 16.2 -25.1 29.2 9.0 84 84 A H > + 0 0 15 -24,-0.4 4,-3.1 121,-0.1 5,-0.4 -0.364 63.0 151.0-132.2 56.7 -26.2 32.8 8.2 85 85 A P H >> + 0 0 2 0, 0.0 4,-2.0 0, 0.0 5,-0.8 0.847 68.1 52.1 -64.9 -33.4 -24.8 34.7 11.1 86 86 A A H >>S+ 0 0 16 116,-0.3 5,-2.1 113,-0.2 4,-1.4 0.958 120.7 33.7 -62.8 -49.4 -24.3 38.1 9.3 87 87 A I H 4>S+ 0 0 33 3,-0.2 5,-0.5 4,-0.2 6,-0.2 0.969 123.0 45.2 -69.2 -52.3 -27.9 38.2 8.1 88 88 A A H <>S+ 0 0 0 -4,-3.1 5,-2.7 3,-0.2 -2,-0.2 0.880 127.9 25.1 -58.7 -41.4 -29.6 36.4 11.1 89 89 A C H <>S+ 0 0 0 -4,-2.0 5,-2.4 -5,-0.4 -3,-0.2 0.870 135.1 25.2 -98.1 -43.0 -27.7 38.3 13.8 90 90 A L T < -C 104 0A 15 3,-1.9 3,-2.7 -2,-0.4 2,-0.5 -0.915 69.1 -68.2-133.9 99.1 -43.2 58.0 17.6 102 102 A D T 3 S- 0 0 119 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.368 124.6 -5.9 51.4-102.3 -44.0 61.2 19.6 103 103 A K T 3 S+ 0 0 209 -2,-0.5 -1,-0.3 -3,-0.1 2,-0.3 0.546 114.4 93.4 -95.1 -15.0 -44.0 59.7 23.1 104 104 A Y E < +C 101 0A 28 -3,-2.7 -3,-1.9 2,-0.0 2,-0.3 -0.618 49.5 177.0 -75.7 140.1 -43.5 55.9 22.4 105 105 A F E +C 100 0A 111 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.971 9.4 148.7-142.0 135.4 -40.0 54.6 22.4 106 106 A A E -C 99 0A 3 -7,-1.8 -7,-2.7 -2,-0.3 2,-0.5 -0.961 44.4-117.2-153.2 149.7 -38.7 51.1 22.0 107 107 A M E -C 98 0A 62 33,-0.4 33,-1.0 -2,-0.3 2,-0.4 -0.790 36.2-140.8 -83.0 131.7 -35.7 49.5 20.6 108 108 A G E -CD 97 139A 0 -11,-3.4 -11,-2.0 -2,-0.5 -12,-0.4 -0.818 21.5-179.9-101.4 134.1 -36.7 47.3 17.6 109 109 A S E + D 0 138A 3 29,-2.9 29,-2.6 -2,-0.4 3,-0.3 -0.846 37.1 40.3-119.3 159.8 -35.2 43.9 16.9 110 110 A G S > S- 0 0 0 -18,-2.7 3,-2.0 -16,-0.3 4,-0.3 -0.354 96.9 -29.7 104.7-172.3 -35.9 41.5 14.0 111 111 A P T > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.766 115.2 70.7 -66.6 -26.4 -36.7 41.1 10.3 112 112 A A T >> S+ 0 0 0 24,-2.8 4,-2.5 1,-0.3 3,-1.8 0.798 87.5 69.5 -58.8 -29.4 -38.4 44.5 9.8 113 113 A R H <>>S+ 0 0 2 -3,-2.0 4,-1.7 23,-0.3 5,-1.5 0.839 92.0 58.5 -51.4 -40.4 -34.9 46.1 10.3 114 114 A A H <45S+ 0 0 0 -3,-2.0 16,-2.2 -4,-0.3 -1,-0.3 0.455 110.9 41.9 -75.0 -4.8 -33.9 44.6 6.9 115 115 A L H <45S+ 0 0 23 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.2 0.730 119.5 40.4-102.3 -48.6 -36.8 46.5 5.2 116 116 A A H <5S- 0 0 14 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.687 104.0-132.3 -71.8 -17.4 -36.4 49.9 7.0 117 117 A L T <5 - 0 0 49 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.1 0.987 30.5-157.9 58.3 63.6 -32.6 49.5 6.8 118 118 A K S > S- 0 0 58 0, 0.0 4,-0.8 0, 0.0 3,-0.5 0.595 86.1-144.5 -85.0 163.3 -29.2 51.4 10.9 120 120 A K H >> S+ 0 0 128 1,-0.2 4,-1.0 2,-0.2 3,-0.7 0.891 93.6 54.9 -53.8 -48.1 -28.1 52.2 7.3 121 121 A K H 3> S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.764 97.2 64.8 -64.2 -30.6 -24.4 51.2 7.6 122 122 A T H <> S+ 0 0 26 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.902 101.8 48.3 -61.2 -44.4 -25.2 47.6 8.8 123 123 A Y H S+ 0 0 10 -4,-0.8 5,-1.4 -3,-0.7 4,-1.1 0.820 111.7 49.9 -71.7 -30.4 -26.9 46.6 5.5 124 124 A E H <5S+ 0 0 106 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.893 110.3 50.0 -68.3 -42.1 -24.0 48.0 3.5 125 125 A R H <5S+ 0 0 86 -4,-2.1 75,-0.2 1,-0.2 -2,-0.2 0.852 121.9 32.9 -71.3 -36.8 -21.4 46.1 5.6 126 126 A I H <5S- 0 0 14 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.563 102.2-131.9 -96.5 -8.1 -23.2 42.7 5.3 127 127 A E T <5 + 0 0 149 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.938 60.5 127.0 56.6 56.0 -24.6 43.4 1.7 128 128 A Y < + 0 0 19 -5,-1.4 2,-0.3 -6,-0.1 -1,-0.2 -0.996 27.9 165.8-141.6 141.2 -28.2 42.4 2.5 129 129 A E - 0 0 108 -2,-0.3 2,-0.2 -5,-0.0 -14,-0.2 -0.924 29.3-131.2-147.6 135.6 -31.6 44.0 2.0 130 130 A D - 0 0 2 -16,-2.2 2,-0.4 -2,-0.3 -127,-0.1 -0.503 9.7-159.5 -84.9 155.3 -34.9 42.2 2.3 131 131 A D + 0 0 115 -2,-0.2 2,-0.3 0, 0.0 -16,-0.1 -0.956 40.4 124.0-130.3 108.1 -37.7 42.5 -0.3 132 132 A A - 0 0 19 -2,-0.4 -2,-0.0 -127,-0.1 -128,-0.0 -0.971 58.3-135.7-155.4 157.2 -41.0 41.6 1.1 133 133 A D S S+ 0 0 123 -2,-0.3 2,-0.3 26,-0.1 27,-0.3 0.067 89.1 69.8-107.1 27.7 -44.5 43.0 1.6 134 134 A V - 0 0 22 25,-0.1 2,-0.4 23,-0.1 30,-0.2 -0.957 65.7-160.9-130.9 147.1 -44.8 41.8 5.2 135 135 A A E - e 0 164A 0 28,-2.2 30,-2.6 -2,-0.3 2,-0.5 -0.999 3.5-167.7-131.6 137.7 -42.8 43.2 8.1 136 136 A V E + e 0 165A 0 -2,-0.4 -24,-2.8 28,-0.2 2,-0.3 -0.982 9.9 178.8-128.3 118.1 -42.1 41.5 11.4 137 137 A I E - e 0 166A 0 28,-2.7 30,-2.6 -2,-0.5 2,-0.4 -0.880 16.7-150.3-117.5 151.2 -40.6 43.4 14.4 138 138 A A E -De 109 167A 0 -29,-2.6 -29,-2.9 -2,-0.3 2,-0.4 -0.988 15.8-164.6-120.5 132.5 -39.8 42.3 18.0 139 139 A L E -De 108 168A 0 28,-3.3 30,-2.0 -2,-0.4 2,-0.8 -0.941 17.1-150.4-121.0 131.8 -40.0 44.9 20.8 140 140 A E E + e 0 169A 71 -33,-1.0 -33,-0.4 -2,-0.4 2,-0.3 -0.909 53.2 120.9-100.0 110.9 -38.6 44.7 24.3 141 141 A A - 0 0 16 28,-1.1 -2,-0.1 -2,-0.8 -35,-0.1 -0.981 66.6-132.2-167.3 153.1 -41.1 46.8 26.2 142 142 A N S S+ 0 0 100 -2,-0.3 2,-0.3 28,-0.1 -2,-0.0 0.114 93.3 63.0-104.5 17.8 -43.5 46.8 29.1 143 143 A Q S S- 0 0 127 26,-0.1 26,-0.1 -102,-0.0 -103,-0.0 -0.990 82.6-123.0-139.8 142.6 -46.2 48.6 26.9 144 144 A L - 0 0 64 -2,-0.3 2,-0.2 24,-0.1 -2,-0.1 -0.703 32.0-112.7 -85.8 140.8 -47.9 47.4 23.8 145 145 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 21,-0.1 -0.482 31.3-144.3 -74.4 143.7 -47.6 49.5 20.6 146 146 A D > - 0 0 85 -2,-0.2 4,-2.5 -117,-0.0 3,-0.3 -0.218 35.8 -79.5 -96.8-176.1 -50.8 51.2 19.3 147 147 A E H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.895 127.7 52.4 -53.0 -49.1 -52.1 52.0 15.8 148 148 A K H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.878 110.7 47.0 -57.5 -41.4 -49.9 55.1 15.4 149 149 A V H > S+ 0 0 3 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.955 114.4 47.1 -64.3 -46.9 -46.7 53.2 16.3 150 150 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.866 109.7 53.9 -66.5 -35.3 -47.6 50.3 14.0 151 151 A E H X S+ 0 0 50 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.890 109.1 49.2 -57.8 -44.2 -48.4 52.8 11.2 152 152 A F H X S+ 0 0 65 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.946 110.7 48.8 -64.6 -49.5 -45.0 54.4 11.6 153 153 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.925 112.4 49.5 -57.3 -45.2 -43.2 51.0 11.5 154 154 A A H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.8 0.941 110.9 48.2 -61.8 -47.1 -45.1 50.0 8.3 155 155 A K H ><5S+ 0 0 142 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.911 111.1 51.5 -60.0 -40.3 -44.4 53.3 6.5 156 156 A E H 3<5S+ 0 0 72 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.848 114.4 43.2 -66.0 -36.8 -40.7 53.0 7.4 157 157 A C H 3<5S- 0 0 6 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.466 109.7-123.5 -79.4 -7.6 -40.7 49.4 6.0 158 158 A D T <<5S+ 0 0 151 -3,-0.8 2,-0.3 -4,-0.8 -3,-0.2 0.877 71.3 125.3 59.5 42.6 -42.7 50.4 2.9 159 159 A V S - 0 0 84 -27,-0.3 3,-2.5 -2,-0.3 -9,-0.0 -0.535 33.4-119.5 -68.6 141.2 -49.2 48.3 4.3 161 161 A P G > S+ 0 0 19 0, 0.0 3,-1.3 0, 0.0 -127,-0.2 0.782 113.3 66.5 -53.6 -29.9 -50.1 48.4 8.0 162 162 A E G 3 S+ 0 0 126 1,-0.2 -130,-0.1 -129,-0.1 -128,-0.0 0.740 100.6 52.3 -59.3 -22.0 -52.3 45.3 7.5 163 163 A N G < S+ 0 0 67 -3,-2.5 -28,-2.2 -130,-0.1 2,-0.4 0.041 87.8 100.5-107.5 27.7 -49.1 43.4 6.7 164 164 A V E < - e 0 135A 0 -3,-1.3 -130,-2.5 -30,-0.2 2,-0.4 -0.938 47.3-170.3-115.0 136.5 -47.1 44.3 9.9 165 165 A Y E -be 34 136A 27 -30,-2.6 -28,-2.7 -2,-0.4 2,-0.4 -0.960 1.9-165.7-120.0 140.5 -46.6 42.0 12.9 166 166 A A E -be 35 137A 0 -132,-2.4 -130,-3.7 -2,-0.4 2,-0.5 -0.997 6.3-161.3-126.2 129.0 -45.1 42.9 16.3 167 167 A L E -be 36 138A 0 -30,-2.6 -28,-3.3 -2,-0.4 2,-0.4 -0.908 19.4-172.1 -97.5 136.3 -44.0 40.6 19.0 168 168 A V E +be 37 139A 0 -132,-2.1 -130,-3.3 -2,-0.5 -129,-0.4 -0.990 17.3 150.4-136.7 133.6 -43.7 42.3 22.4 169 169 A A E - e 0 140A 0 -30,-2.0 -28,-1.1 -2,-0.4 -27,-0.1 -0.967 37.7-117.8-152.8 142.8 -42.3 41.2 25.8 170 170 A P - 0 0 11 0, 0.0 6,-0.4 0, 0.0 -28,-0.1 -0.339 31.9-109.6 -75.4 162.9 -40.6 43.0 28.8 171 171 A T S S+ 0 0 14 1,-0.2 2,-1.4 5,-0.1 9,-0.1 0.917 113.4 59.7 -56.3 -43.8 -37.1 42.3 29.9 172 172 A A S S+ 0 0 24 4,-0.1 2,-0.3 42,-0.1 -1,-0.2 -0.718 89.5 88.1 -91.2 87.2 -38.4 40.7 33.1 173 173 A S S > S- 0 0 11 -2,-1.4 4,-2.8 -4,-0.1 5,-0.2 -0.936 88.8-101.4-168.8 161.6 -40.5 37.9 31.6 174 174 A I H > S+ 0 0 13 -131,-0.6 4,-2.6 -2,-0.3 5,-0.2 0.910 125.3 48.3 -62.4 -40.6 -39.9 34.3 30.5 175 175 A V H > S+ 0 0 0 -132,-0.3 4,-3.0 -137,-0.3 5,-0.3 0.919 110.0 53.6 -68.6 -36.7 -39.8 35.3 26.9 176 176 A G H > S+ 0 0 0 -6,-0.4 4,-2.2 2,-0.2 5,-0.3 0.940 111.3 45.4 -56.6 -48.1 -37.4 38.2 27.8 177 177 A S H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 35,-0.4 0.941 116.8 44.0 -65.0 -41.8 -35.0 35.7 29.5 178 178 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.958 115.0 46.5 -69.0 -48.7 -35.2 33.2 26.7 179 179 A Q H < S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.843 112.7 50.7 -66.1 -35.2 -34.8 35.7 23.8 180 180 A I H >< S+ 0 0 9 -4,-2.2 3,-2.0 -5,-0.3 -1,-0.2 0.956 113.9 41.7 -70.4 -48.3 -31.9 37.6 25.4 181 181 A S H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.817 105.6 68.6 -65.6 -26.6 -29.8 34.5 26.2 182 182 A G T 3< S+ 0 0 0 -4,-1.8 3,-0.3 -5,-0.3 -1,-0.3 0.544 86.7 69.9 -65.9 -2.6 -30.9 33.5 22.6 183 183 A R T <> + 0 0 14 -3,-2.0 4,-2.9 1,-0.2 -1,-0.3 0.271 63.5 111.8 -94.4 14.0 -28.7 36.4 21.5 184 184 A I H <> S+ 0 0 0 -3,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.880 80.4 41.9 -61.3 -43.7 -25.5 34.5 22.4 185 185 A V H > S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.2 3,-0.4 0.952 113.8 54.8 -61.8 -48.3 -24.4 34.1 18.8 186 186 A Q H > S+ 0 0 9 -4,-0.3 4,-3.6 1,-0.2 5,-0.3 0.874 101.4 57.0 -50.5 -49.7 -25.4 37.7 18.0 187 187 A T H X S+ 0 0 13 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.911 110.5 45.3 -51.6 -43.5 -23.2 39.1 20.8 188 188 A A H X S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.4 -2,-0.2 0.945 115.6 44.9 -61.2 -55.2 -20.2 37.4 19.3 189 189 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.924 115.7 46.8 -57.2 -51.7 -21.0 38.5 15.7 190 190 A F H X S+ 0 0 64 -4,-3.6 4,-2.6 2,-0.2 -1,-0.2 0.890 112.5 49.0 -60.1 -46.2 -21.8 42.1 16.7 191 191 A K H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.3 6,-0.2 0.950 109.7 53.5 -60.1 -46.8 -18.7 42.4 18.9 192 192 A M H <>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 -2,-0.2 0.891 112.0 43.8 -53.2 -44.8 -16.5 41.1 16.0 193 193 A N H ><5S+ 0 0 40 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.919 110.0 57.1 -70.3 -41.8 -17.9 43.7 13.6 194 194 A E H 3<5S+ 0 0 65 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.808 105.3 50.3 -50.4 -39.0 -17.5 46.4 16.3 195 195 A I T 3<5S- 0 0 35 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.357 129.8 -92.9 -90.0 6.9 -13.7 45.7 16.7 196 196 A G T < 5S+ 0 0 53 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.361 78.2 139.9 104.9 -4.4 -13.2 45.9 12.9 197 197 A Y < - 0 0 6 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.584 58.8-115.0 -74.9 130.1 -13.6 42.3 11.8 198 198 A D > - 0 0 42 -2,-0.3 3,-2.3 1,-0.2 4,-0.2 -0.469 18.3-154.2 -65.9 113.2 -15.5 41.9 8.5 199 199 A P G > S+ 0 0 1 0, 0.0 3,-1.3 0, 0.0 -113,-0.2 0.696 90.7 72.9 -69.4 -9.4 -18.7 39.9 9.3 200 200 A K G 3 S+ 0 0 65 1,-0.2 -2,-0.1 -75,-0.2 -74,-0.0 0.630 88.8 62.6 -73.5 -10.9 -18.8 38.7 5.7 201 201 A L G < S+ 0 0 44 -3,-2.3 39,-2.6 38,-0.1 2,-0.5 0.557 81.6 101.1 -83.2 -8.0 -15.8 36.4 6.7 202 202 A I E < - H 0 239B 13 -3,-1.3 -116,-0.3 -4,-0.2 37,-0.3 -0.666 47.2-179.1 -89.2 125.4 -18.0 34.6 9.3 203 203 A V E - 0 0 29 35,-2.8 2,-0.3 -2,-0.5 36,-0.2 0.899 60.2 -28.2 -89.7 -45.6 -19.2 31.3 8.0 204 204 A S E - H 0 238B 2 34,-1.4 34,-2.2 -120,-0.1 -1,-0.3 -0.981 49.8-149.4-164.3 166.9 -21.3 30.1 11.0 205 205 A G E -GH 82 237B 0 -123,-2.1 -123,-2.5 -2,-0.3 2,-0.3 -0.991 4.1-170.2-151.5 148.1 -21.8 30.2 14.7 206 206 A A E -GH 81 236B 0 30,-2.0 30,-3.2 -2,-0.3 2,-0.3 -0.994 17.8-177.2-142.1 132.3 -23.1 27.9 17.5 207 207 A G E -GH 80 235B 0 -127,-2.7 -127,-2.2 -2,-0.3 2,-0.3 -0.951 20.6-161.9-140.5 149.4 -23.8 29.1 21.0 208 208 A R E +GH 79 234B 14 26,-2.3 26,-2.0 -2,-0.3 -129,-0.2 -0.987 20.7 162.7-128.5 143.5 -24.9 27.9 24.5 209 209 A C E -G 78 0B 0 -131,-2.3 -131,-3.1 -2,-0.3 24,-0.2 -0.916 36.1-115.7-163.0 130.0 -26.1 30.3 27.2 210 210 A P E -G 77 0B 0 0, 0.0 2,-0.5 0, 0.0 -133,-0.3 -0.400 32.5-118.5 -66.0 148.8 -28.1 29.8 30.4 211 211 A I - 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0 0 8 -2,-0.8 -35,-0.1 28,-0.8 3,-0.1 -0.951 59.9-140.1-147.4 155.3 -49.0 -2.9 33.4 774 142 C N S S+ 0 0 109 -2,-0.3 2,-0.3 28,-0.1 -36,-0.1 0.250 94.1 52.9-102.8 6.9 -47.2 -6.2 32.6 775 143 C Q S S- 0 0 123 -38,-0.2 -1,-0.1 26,-0.1 26,-0.1 -0.997 90.3-112.9-144.5 137.0 -50.4 -7.3 30.7 776 144 C L - 0 0 58 -2,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.488 38.3-109.8 -71.3 137.7 -52.4 -5.7 28.0 777 145 C P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.445 32.7-148.2 -68.5 135.8 -56.0 -4.5 28.9 778 146 C D > - 0 0 87 -2,-0.2 4,-2.4 -117,-0.0 3,-0.3 -0.309 36.7 -79.5 -93.2-178.2 -58.9 -6.5 27.5 779 147 C E H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 128.1 51.0 -44.9 -48.3 -62.5 -5.4 26.4 780 148 C K H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 110.2 47.8 -65.6 -40.4 -63.8 -5.5 30.0 781 149 C V H > S+ 0 0 3 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.914 114.2 46.8 -64.6 -42.5 -60.9 -3.3 31.4 782 150 C M H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.852 108.8 55.3 -70.8 -34.3 -61.4 -0.8 28.6 783 151 C E H X S+ 0 0 83 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.911 108.9 48.8 -60.2 -45.7 -65.2 -0.8 29.1 784 152 C F H X S+ 0 0 68 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.948 112.2 46.7 -60.9 -50.0 -64.5 0.1 32.8 785 153 C I H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.942 113.5 50.1 -57.6 -46.0 -62.1 2.9 31.8 786 154 C A H X>S+ 0 0 1 -4,-3.0 5,-2.5 2,-0.2 4,-0.5 0.917 111.6 47.0 -56.6 -46.2 -64.7 4.2 29.2 787 155 C K H ><5S+ 0 0 165 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.920 110.6 52.2 -69.8 -41.0 -67.6 4.2 31.7 788 156 C E H 3<5S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.797 114.3 43.4 -62.6 -29.9 -65.5 6.0 34.4 789 157 C C H 3<5S- 0 0 6 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.404 109.4-123.6 -91.1 -3.4 -64.6 8.7 31.9 790 158 C D T <<5S+ 0 0 154 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.892 71.6 125.6 56.8 44.3 -68.2 9.0 30.5 791 159 C V S - 0 0 79 -27,-0.3 3,-2.5 -2,-0.3 -9,-0.0 -0.661 33.9-119.4 -75.4 139.5 -68.0 5.5 24.6 793 161 C P G > S+ 0 0 16 0, 0.0 3,-1.9 0, 0.0 -127,-0.3 0.808 112.8 65.7 -52.4 -30.8 -65.4 2.6 24.5 794 162 C E G 3 S+ 0 0 123 1,-0.3 -130,-0.1 -131,-0.2 -2,-0.0 0.544 99.4 54.5 -66.5 -9.6 -64.8 3.3 20.8 795 163 C N G < S+ 0 0 65 -3,-2.5 -28,-2.5 -130,-0.0 2,-0.5 0.044 88.7 103.1-113.5 22.8 -63.4 6.6 21.8 796 164 C V E < - g 0 767F 1 -3,-1.9 -130,-2.9 -30,-0.2 2,-0.4 -0.924 45.8-173.1-110.4 130.3 -60.9 5.3 24.2 797 165 C Y E -dg 666 768F 28 -30,-2.8 -28,-3.0 -2,-0.5 2,-0.4 -0.968 3.4-170.9-109.4 135.4 -57.1 5.0 23.6 798 166 C A E -dg 667 769F 0 -132,-2.6 -130,-3.4 -2,-0.4 2,-0.4 -0.994 9.9-159.8-123.5 132.5 -54.7 3.2 26.0 799 167 C L E -dg 668 770F 0 -30,-2.7 -28,-3.7 -2,-0.4 2,-0.4 -0.888 21.1-169.2 -96.3 141.3 -50.9 3.2 25.8 800 168 C V E +dg 669 771F 0 -132,-2.0 -130,-3.2 -2,-0.4 -128,-0.4 -0.997 19.0 148.6-139.2 130.1 -49.4 0.3 27.8 801 169 C A E - g 0 772F 0 -30,-1.8 -28,-0.8 -2,-0.4 4,-0.1 -0.946 37.4-121.2-152.9 154.0 -45.8 -0.6 28.9 802 170 C P - 0 0 13 0, 0.0 6,-0.3 0, 0.0 -28,-0.1 -0.315 34.1-105.8 -86.4 167.6 -44.3 -2.5 31.9 803 171 C T S S+ 0 0 15 1,-0.2 2,-1.4 5,-0.1 9,-0.1 0.913 113.3 61.4 -58.9 -44.2 -41.8 -0.8 34.3 804 172 C A S S+ 0 0 24 4,-0.1 2,-0.3 42,-0.1 -1,-0.2 -0.673 87.6 89.2 -88.7 82.9 -38.8 -2.9 32.8 805 173 C S S > S- 0 0 9 -2,-1.4 4,-3.1 -4,-0.1 5,-0.2 -0.940 88.0-105.0-161.9 163.3 -38.9 -1.7 29.2 806 174 C I H > S+ 0 0 13 -131,-0.5 4,-2.7 -2,-0.3 5,-0.2 0.916 124.0 48.9 -61.6 -41.8 -37.3 1.2 27.3 807 175 C V H > S+ 0 0 0 -132,-0.4 4,-3.2 -137,-0.3 5,-0.3 0.941 110.4 51.3 -60.2 -46.1 -40.7 3.0 27.2 808 176 C G H > S+ 0 0 0 -6,-0.3 4,-2.3 1,-0.2 5,-0.3 0.953 112.2 46.4 -59.1 -48.3 -41.0 2.4 31.0 809 177 C S H X S+ 0 0 1 -4,-3.1 4,-2.1 1,-0.2 35,-0.4 0.906 115.6 44.7 -57.4 -49.2 -37.5 3.9 31.6 810 178 C V H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.939 115.0 48.2 -57.6 -52.9 -38.0 6.9 29.4 811 179 C Q H < S+ 0 0 0 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.853 111.1 48.3 -64.7 -30.2 -41.5 7.7 30.7 812 180 C I H >< S+ 0 0 9 -4,-2.3 3,-2.1 -5,-0.3 -1,-0.2 0.945 113.2 46.2 -78.4 -39.8 -40.6 7.4 34.4 813 181 C S H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.846 103.4 68.8 -65.4 -27.9 -37.5 9.6 34.0 814 182 C G T 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.3 4,-0.3 0.460 86.5 68.6 -56.4 -12.3 -40.0 11.8 32.0 815 183 C R T <> + 0 0 13 -3,-2.1 4,-3.1 1,-0.2 -1,-0.3 0.241 64.2 111.6 -93.0 15.6 -41.8 12.5 35.4 816 184 C I H <> S+ 0 0 0 -3,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.926 82.9 39.0 -62.7 -49.2 -38.9 14.6 36.7 817 185 C V H >> S+ 0 0 0 -3,-0.2 4,-2.4 1,-0.2 3,-0.7 0.967 115.6 55.8 -59.1 -48.5 -40.8 17.9 36.7 818 186 C Q H 3> S+ 0 0 9 -4,-0.3 4,-3.6 1,-0.2 5,-0.3 0.880 101.9 55.4 -47.2 -45.8 -44.0 16.0 37.9 819 187 C T H 3X S+ 0 0 13 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.882 109.7 46.6 -62.6 -31.8 -42.2 14.6 40.9 820 188 C A H S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.2 3,-0.5 0.958 111.7 43.7 -51.2 -55.2 -44.7 20.6 46.4 825 193 C N H ><5S+ 0 0 40 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.911 109.3 56.2 -59.1 -43.6 -48.4 20.0 46.7 826 194 C E H 3<5S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.809 106.1 51.2 -59.5 -28.8 -48.0 17.2 49.1 827 195 C I T 3<5S- 0 0 38 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.435 129.5 -95.8 -92.8 2.7 -46.0 19.4 51.6 828 196 C G T < 5S+ 0 0 53 -3,-1.5 2,-0.4 -4,-0.4 -3,-0.2 0.364 77.5 139.4 106.3 0.2 -48.8 22.1 51.3 829 197 C Y < - 0 0 6 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.626 59.5-114.5 -78.7 127.9 -47.6 24.5 48.7 830 198 C D > - 0 0 39 -2,-0.4 3,-2.2 1,-0.2 4,-0.2 -0.426 17.3-153.0 -67.6 114.7 -50.5 25.6 46.3 831 199 C P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -113,-0.2 0.716 90.9 73.9 -62.0 -20.8 -49.6 24.2 42.8 832 200 C K G 3 S+ 0 0 64 -75,-0.3 -2,-0.1 1,-0.3 -114,-0.0 0.670 89.4 60.5 -61.6 -17.3 -51.6 27.2 41.3 833 201 C L G < S+ 0 0 47 -3,-2.2 39,-2.9 38,-0.1 2,-0.6 0.494 82.2 100.7 -84.4 -9.5 -48.6 29.4 42.3 834 202 C I E < - O 0 871C 13 -3,-1.6 -116,-0.3 37,-0.2 37,-0.3 -0.717 48.3-176.7 -85.4 123.8 -46.3 27.4 40.1 835 203 C V E - 0 0 34 35,-2.6 2,-0.3 -2,-0.6 36,-0.2 0.884 59.7 -28.0 -84.8 -44.8 -45.6 29.2 36.8 836 204 C S E - O 0 870C 1 34,-1.3 34,-2.1 -120,-0.1 2,-0.3 -0.937 51.0-150.9-166.5 166.7 -43.4 26.6 34.9 837 205 C G E -NO 714 869C 0 -123,-1.9 -123,-2.4 -2,-0.3 2,-0.4 -0.977 4.6-170.3-152.6 145.5 -40.8 23.8 35.4 838 206 C A E +NO 713 868C 0 30,-2.5 30,-2.7 -2,-0.3 2,-0.3 -0.996 17.6 177.9-137.6 137.0 -37.9 22.5 33.5 839 207 C G E -NO 712 867C 0 -127,-3.5 -127,-2.2 -2,-0.4 2,-0.4 -0.964 22.6-157.7-148.7 159.2 -36.0 19.3 34.3 840 208 C R E +NO 711 866C 17 26,-2.4 26,-2.7 -2,-0.3 -129,-0.2 -0.994 19.6 164.4-132.2 144.8 -33.3 16.8 33.4 841 209 C C E -N 710 0C 0 -131,-2.3 -131,-2.9 -2,-0.4 24,-0.2 -0.924 35.7-113.6-162.3 131.9 -33.0 13.2 34.5 842 210 C P E -N 709 0C 0 0, 0.0 2,-0.6 0, 0.0 -133,-0.3 -0.337 33.1-119.5 -67.8 148.5 -31.0 10.2 33.3 843 211 C I - 0 0 5 -135,-3.4 -135,-0.3 -30,-0.1 -33,-0.1 -0.793 33.2-118.4 -87.8 121.8 -32.9 7.3 31.7 844 212 C S - 0 0 3 -2,-0.6 -35,-0.1 -35,-0.4 13,-0.1 -0.346 21.8-113.0 -60.2 137.9 -32.4 4.1 33.7 845 213 C P - 0 0 2 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.273 45.4 -97.1 -49.8 154.8 -30.8 1.0 32.1 846 214 C I - 0 0 20 -236,-0.1 2,-0.1 -42,-0.1 -237,-0.1 -0.764 44.9-152.2 -82.6 117.4 -33.4 -1.8 31.8 847 215 C L - 0 0 5 -2,-0.6 -238,-0.2 2,-0.2 -237,-0.1 -0.315 29.9 -91.7 -87.1 179.9 -33.0 -4.1 34.8 848 216 C E S S+ 0 0 74 -240,-0.3 2,-0.3 -2,-0.1 -239,-0.1 0.504 98.2 4.6 -81.7 -9.0 -33.8 -7.8 34.9 849 217 C N S > S- 0 0 71 -240,-0.1 4,-2.5 1,-0.0 5,-0.2 -0.962 80.2 -94.2-161.9 170.2 -37.5 -7.6 36.1 850 218 C D H > S+ 0 0 51 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.759 119.1 56.2 -61.0 -34.7 -40.3 -5.0 37.0 851 219 C L H > S+ 0 0 55 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.959 111.5 41.3 -62.2 -55.4 -39.3 -5.0 40.7 852 220 C K H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.907 115.2 52.5 -53.4 -47.1 -35.7 -4.0 40.1 853 221 C A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.3 5,-0.4 0.852 101.8 58.7 -63.5 -33.8 -36.9 -1.5 37.4 854 222 C M H X S+ 0 0 46 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.3 0.918 110.7 46.2 -58.7 -41.4 -39.3 0.1 39.9 855 223 C G H X S+ 0 0 1 -4,-1.4 4,-2.5 -3,-0.3 38,-0.4 0.967 115.1 40.5 -63.1 -57.7 -36.2 0.7 41.9 856 224 C S H X S+ 0 0 1 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.833 114.9 52.0 -69.1 -32.7 -33.8 2.1 39.3 857 225 C T H X S+ 0 0 2 -4,-2.4 4,-0.9 -5,-0.3 -1,-0.2 0.939 113.4 44.0 -69.3 -46.6 -36.5 4.2 37.5 858 226 C N H >X S+ 0 0 30 -4,-1.5 4,-2.4 -5,-0.4 3,-0.6 0.920 111.9 54.4 -59.6 -43.3 -37.5 5.9 40.8 859 227 C D H 3X>S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 5,-0.5 0.792 94.7 69.5 -65.6 -31.9 -33.8 6.3 41.8 860 228 C S H 3X5S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 -1,-0.3 0.956 112.5 29.4 -48.7 -50.4 -33.1 8.2 38.5 861 229 C M H - 0 0 79 -2,-0.1 3,-2.5 1,-0.1 4,-0.1 -0.982 23.4-132.7-141.7 130.4 -42.5 29.6 50.9 876 244 C E G > S+ 0 0 125 -2,-0.4 3,-2.0 1,-0.3 4,-0.2 0.746 100.9 76.2 -54.3 -24.6 -39.6 28.4 53.2 877 245 C I G > S+ 0 0 59 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.683 73.5 81.4 -63.1 -18.1 -41.3 25.0 53.3 878 246 C L G X S+ 0 0 0 -3,-2.5 3,-1.7 1,-0.3 -1,-0.3 0.659 70.7 80.0 -68.0 -10.9 -39.9 24.3 49.8 879 247 C K G < S+ 0 0 82 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.742 87.8 58.8 -58.5 -22.1 -36.6 23.4 51.4 880 248 C N G < S+ 0 0 58 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.359 78.7 93.2 -92.8 8.5 -38.3 20.1 52.1 881 249 C V < + 0 0 0 -3,-1.7 -1,-0.2 3,-0.1 -2,-0.1 0.949 63.9 86.5 -66.5 -45.3 -39.0 19.3 48.4 882 250 C P S > S- 0 0 0 0, 0.0 3,-1.8 0, 0.0 33,-0.2 -0.101 81.7-125.0 -66.8 153.7 -35.8 17.2 47.7 883 251 C S G > S+ 0 0 0 31,-2.3 3,-3.3 1,-0.3 6,-0.3 0.896 104.5 72.6 -58.6 -37.2 -35.8 13.5 48.4 884 252 C C G 3 S+ 0 0 38 31,-0.3 -1,-0.3 1,-0.3 27,-0.1 0.616 85.9 65.6 -57.8 -12.0 -32.7 13.9 50.7 885 253 C T G < S+ 0 0 64 -3,-1.8 2,-0.3 25,-0.2 -1,-0.3 0.400 83.8 101.2 -86.6 0.7 -34.9 15.5 53.3 886 254 C S S X S- 0 0 10 -3,-3.3 3,-1.5 24,-0.1 -3,-0.0 -0.653 77.5-132.6 -86.0 139.3 -36.7 12.2 53.7 887 255 C R T 3 S+ 0 0 190 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.768 108.6 52.6 -53.9 -27.4 -36.0 9.9 56.6 888 256 C D T > S+ 0 0 48 -5,-0.1 3,-0.6 20,-0.1 -1,-0.2 0.455 83.1 116.5 -92.8 -2.8 -35.8 7.0 54.1 889 257 C Y T < + 0 0 38 -3,-1.5 -5,-0.0 -6,-0.3 22,-0.0 -0.352 45.1 64.7 -63.8 140.8 -33.3 8.6 51.7 890 258 C G T 3 S+ 0 0 36 1,-0.5 -1,-0.2 -2,-0.1 -2,-0.0 0.074 82.6 58.5 144.0 -32.2 -29.9 7.0 51.2 891 259 C K S < S- 0 0 94 -3,-0.6 -1,-0.5 1,-0.1 5,-0.1 -0.811 94.9 -72.7-117.8 165.0 -30.0 3.6 49.5 892 260 C P >> - 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