==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 12-JUL-06 2HNE . COMPND 2 MOLECULE: L-FUCONATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,W.S.YEW,J.A.GERLT,S.C.ALMO,S.K.BURLE . 1725 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1213 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 7.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 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 . 79 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 189 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 612 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 5 6 10 6 1 14 5 8 0 4 0 12 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 18 4 0 4 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 . 15 5 0 0 0 0 1 3 4 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 . 1 4 4 0 1 0 3 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 0 185 0, 0.0 2,-0.1 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 105.1 117.9 -17.3 70.6 2 2 A R - 0 0 85 69,-0.1 70,-2.2 32,-0.1 71,-0.5 -0.386 360.0-177.2 -67.8 143.1 118.5 -13.8 72.0 3 3 A T B -A 71 0A 33 68,-0.3 32,-1.1 69,-0.1 2,-0.6 -0.919 36.4 -94.7-137.9 163.2 117.2 -13.2 75.5 4 4 A I E -B 34 0B 1 66,-2.6 65,-3.3 63,-0.3 30,-0.3 -0.710 38.5-179.6 -79.5 120.3 117.0 -10.4 78.1 5 5 A I E + 0 0 94 28,-2.0 2,-0.3 -2,-0.6 29,-0.2 0.608 59.4 5.3 -98.4 -14.6 120.0 -10.8 80.2 6 6 A A E -B 33 0B 35 27,-1.1 27,-2.9 61,-0.1 2,-0.6 -0.953 45.2-149.1-169.9 148.4 119.5 -7.9 82.6 7 7 A L E -B 32 0B 16 -2,-0.3 2,-0.3 25,-0.2 25,-0.2 -0.864 31.0-168.0-119.1 90.0 117.2 -5.1 83.7 8 8 A E E -B 31 0B 70 23,-1.7 23,-2.5 -2,-0.6 2,-0.4 -0.633 3.6-157.5 -86.5 142.2 119.5 -2.4 85.0 9 9 A T E -B 30 0B 43 -2,-0.3 2,-0.4 21,-0.2 21,-0.2 -0.942 3.8-163.7-118.5 137.5 118.1 0.6 86.9 10 10 A H E -B 29 0B 40 19,-2.5 19,-2.9 -2,-0.4 2,-1.1 -0.983 15.9-145.6-126.8 128.2 119.7 4.0 87.3 11 11 A D E +B 28 0B 20 -2,-0.4 406,-3.2 406,-0.3 2,-0.5 -0.783 31.1 178.7 -88.8 98.4 118.9 6.6 89.8 12 12 A V E +BC 27 416B 0 15,-2.3 15,-3.0 -2,-1.1 2,-0.4 -0.921 4.4 178.1-108.6 124.3 119.5 9.8 87.7 13 13 A R E -B 26 0B 33 402,-2.2 13,-0.3 -2,-0.5 12,-0.1 -0.988 16.1-152.7-131.0 131.9 118.9 13.2 89.3 14 14 A F - 0 0 5 11,-3.5 2,-2.4 -2,-0.4 3,-0.3 -0.863 21.0-132.3-103.7 128.4 119.4 16.7 87.8 15 15 A P > + 0 0 3 0, 0.0 3,-2.7 0, 0.0 4,-0.3 -0.059 55.5 144.0 -69.2 40.8 120.1 19.6 90.1 16 16 A T G > + 0 0 29 -2,-2.4 3,-0.6 1,-0.3 8,-0.1 0.573 58.4 73.2 -58.6 -9.4 117.4 21.6 88.2 17 17 A S G 3 S+ 0 0 41 -3,-0.3 -1,-0.3 1,-0.2 7,-0.1 0.672 91.2 56.0 -79.5 -16.6 116.5 23.2 91.5 18 18 A R G < 0 0 85 -3,-2.7 921,-0.3 1,-0.1 924,-0.2 0.462 360.0 360.0 -91.6 -4.6 119.7 25.3 91.3 19 19 A E < 0 0 115 -3,-0.6 -1,-0.1 -4,-0.3 922,-0.0 -0.902 360.0 360.0-109.3 360.0 118.8 26.7 87.9 20 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 21 28 A P 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-135.8 107.9 24.1 94.5 22 29 A D - 0 0 90 27,-0.0 2,-0.2 2,-0.0 -5,-0.1 -0.552 360.0-174.0-113.9 67.1 111.6 23.3 93.9 23 30 A P - 0 0 36 0, 0.0 2,-0.9 0, 0.0 27,-0.2 -0.387 17.4-154.5 -65.6 130.3 111.6 20.1 91.8 24 31 A D - 0 0 29 25,-1.4 -10,-0.1 -2,-0.2 24,-0.1 -0.855 29.2-129.9-103.5 92.2 114.9 18.4 91.1 25 32 A Y + 0 0 48 -2,-0.9 -11,-3.5 24,-0.2 -9,-0.3 -0.121 39.7 166.3 -45.9 132.6 114.0 16.6 87.9 26 33 A S E -BD 13 48B 0 22,-2.7 22,-1.8 -13,-0.3 2,-0.3 -0.891 22.2-150.9-143.2 171.7 115.0 12.9 88.1 27 34 A A E -BD 12 47B 0 -15,-3.0 -15,-2.3 -2,-0.3 2,-1.2 -0.983 20.2-136.7-151.9 137.2 114.4 9.7 86.3 28 35 A A E -BD 11 46B 2 18,-2.4 18,-1.4 -2,-0.3 2,-0.5 -0.852 38.9-151.2 -91.4 100.2 114.4 6.0 87.2 29 36 A Y E -BD 10 45B 10 -19,-2.9 -19,-2.5 -2,-1.2 2,-0.4 -0.682 12.6-165.5 -81.3 121.1 116.4 5.0 84.1 30 37 A V E -BD 9 44B 0 14,-2.9 14,-2.4 -2,-0.5 2,-0.4 -0.906 7.0-172.9-113.3 134.9 115.6 1.5 83.0 31 38 A V E -BD 8 43B 1 -23,-2.5 -23,-1.7 -2,-0.4 2,-0.8 -0.991 13.4-154.8-130.2 129.1 117.6 -0.6 80.5 32 39 A L E -BD 7 42B 0 10,-3.0 10,-1.9 -2,-0.4 2,-0.2 -0.884 22.2-160.8-102.9 102.7 116.6 -3.9 79.0 33 40 A R E -BD 6 41B 77 -27,-2.9 -28,-2.0 -2,-0.8 -27,-1.1 -0.611 10.0-176.1 -88.7 146.8 119.9 -5.7 78.1 34 41 A T E -B 4 0B 18 6,-0.7 -30,-0.2 -30,-0.3 6,-0.1 -0.832 35.2-125.5-133.2 170.9 120.1 -8.6 75.6 35 42 A D S S+ 0 0 87 -32,-1.1 3,-0.1 -2,-0.3 -31,-0.1 0.153 82.8 92.4-103.7 16.8 122.8 -10.9 74.2 36 43 A G S S- 0 0 25 1,-0.3 -2,-0.1 4,-0.3 -33,-0.0 0.197 91.1 -14.9 -87.9-149.6 122.0 -10.1 70.6 37 44 A A S > S- 0 0 74 1,-0.2 3,-4.1 2,-0.1 -1,-0.3 -0.281 73.9-113.3 -53.0 132.3 123.5 -7.4 68.4 38 45 A E T 3 S+ 0 0 174 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.1 0.749 117.7 57.6 -38.4 -32.4 125.5 -5.0 70.5 39 46 A D T 3 S+ 0 0 120 1,-0.0 2,-0.9 80,-0.0 -1,-0.3 0.483 80.5 106.9 -82.4 -2.9 122.9 -2.3 69.6 40 47 A L < + 0 0 28 -3,-4.1 -6,-0.7 -6,-0.1 2,-0.3 -0.680 42.1 116.4 -88.1 107.2 119.9 -4.3 70.9 41 48 A A E -D 33 0B 0 -2,-0.9 2,-0.4 -8,-0.2 -8,-0.2 -0.970 53.0-129.2-161.2 150.5 118.6 -2.9 74.2 42 49 A G E -D 32 0B 0 -10,-1.9 -10,-3.0 -2,-0.3 2,-0.4 -0.892 22.2-159.2-107.9 138.5 115.3 -1.3 75.3 43 50 A Y E +D 31 0B 15 -2,-0.4 2,-0.3 69,-0.3 -12,-0.2 -0.940 19.8 151.8-120.7 141.3 115.4 2.0 77.2 44 51 A G E -D 30 0B 1 -14,-2.4 -14,-2.9 -2,-0.4 2,-0.3 -0.952 16.1-165.0-154.2 171.7 112.7 3.5 79.4 45 52 A L E -D 29 0B 1 -2,-0.3 2,-0.5 -16,-0.2 -16,-0.2 -0.982 18.8-139.5-164.5 152.8 112.2 5.8 82.4 46 53 A V E -D 28 0B 1 -18,-1.4 -18,-2.4 -2,-0.3 2,-0.6 -0.961 31.4-129.5-113.1 129.7 109.9 7.0 85.1 47 54 A F E +D 27 0B 12 -2,-0.5 2,-0.2 -20,-0.2 -20,-0.2 -0.741 35.4 167.7 -86.7 122.7 109.9 10.8 85.7 48 55 A T E -D 26 0B 0 -22,-1.8 -22,-2.7 -2,-0.6 4,-0.1 -0.761 34.6-133.5-123.7 167.3 110.4 11.7 89.4 49 56 A I - 0 0 10 2,-0.4 -25,-1.4 477,-0.3 2,-0.7 -0.144 59.6 -79.3-121.9 43.0 111.2 15.1 91.0 50 57 A G S > S+ 0 0 4 -27,-0.2 3,-2.2 476,-0.1 4,-0.3 -0.879 108.0 68.8 108.9-107.2 113.9 14.3 93.5 51 58 A R T 3 S+ 0 0 108 -2,-0.7 -2,-0.4 1,-0.3 -25,-0.1 -0.266 107.5 26.1 -51.3 128.2 112.7 12.8 96.8 52 59 A G T 3> S+ 0 0 5 -4,-0.1 4,-2.4 445,-0.1 -1,-0.3 0.322 80.2 112.5 100.4 -9.5 111.4 9.3 96.0 53 60 A N H <> S+ 0 0 0 -3,-2.2 4,-1.9 1,-0.2 -2,-0.1 0.850 80.4 55.6 -65.3 -29.0 113.5 8.5 92.9 54 61 A D H > S+ 0 0 75 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.891 108.3 45.2 -68.7 -40.4 115.2 5.9 95.0 55 62 A V H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.881 112.4 52.8 -70.1 -35.7 112.0 4.2 96.0 56 63 A Q H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.863 109.1 49.9 -65.8 -35.2 110.9 4.4 92.3 57 64 A T H X S+ 0 0 18 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.896 107.8 52.4 -70.1 -40.2 114.1 2.7 91.3 58 65 A A H X S+ 0 0 34 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.900 108.5 52.4 -60.9 -41.0 113.7 -0.1 93.9 59 66 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.916 111.7 44.8 -61.6 -45.5 110.2 -0.7 92.4 60 67 A V H >< S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.923 111.4 52.9 -65.4 -44.3 111.6 -1.0 88.9 61 68 A A H >< S+ 0 0 43 -4,-2.9 3,-1.4 1,-0.3 4,-0.2 0.772 97.1 68.4 -62.5 -25.5 114.5 -3.2 90.1 62 69 A A T 3< S+ 0 0 24 -4,-1.5 -1,-0.3 1,-0.2 3,-0.2 0.538 90.9 63.4 -72.0 -4.9 111.9 -5.5 91.7 63 70 A L T X> S+ 0 0 0 -3,-1.8 3,-1.1 1,-0.2 4,-0.9 0.513 71.5 97.7 -96.6 -5.9 110.7 -6.5 88.3 64 71 A A H X> S+ 0 0 28 -3,-1.4 4,-3.0 1,-0.3 3,-1.4 0.887 77.4 57.7 -48.0 -50.4 113.9 -8.1 87.2 65 72 A E H 34 S+ 0 0 164 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.825 104.4 53.3 -52.2 -36.0 112.7 -11.6 88.0 66 73 A H H <4 S+ 0 0 28 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.743 122.1 27.3 -72.7 -23.3 109.8 -11.2 85.7 67 74 A V H X< S+ 0 0 0 -3,-1.4 3,-2.0 -4,-0.9 -63,-0.3 0.787 89.2 95.9-112.7 -34.6 112.0 -10.2 82.7 68 75 A V T 3< S+ 0 0 61 -4,-3.0 -63,-0.2 1,-0.3 3,-0.1 -0.415 94.5 24.0 -63.3 129.9 115.5 -11.7 83.0 69 76 A G T 3 S+ 0 0 58 -65,-3.3 -1,-0.3 1,-0.3 2,-0.2 0.223 88.6 135.9 100.6 -14.2 115.7 -14.8 80.9 70 77 A L < - 0 0 21 -3,-2.0 -66,-2.6 -66,-0.2 -1,-0.3 -0.455 61.9-111.1 -71.5 139.5 112.8 -14.0 78.6 71 78 A S B > -A 3 0A 21 -68,-0.2 4,-2.0 -2,-0.2 -68,-0.3 -0.509 20.1-141.1 -68.7 130.6 113.2 -14.7 74.9 72 79 A V H > S+ 0 0 2 -70,-2.2 4,-2.9 -2,-0.2 5,-0.3 0.904 100.4 50.6 -61.8 -43.3 113.4 -11.4 73.0 73 80 A D H > S+ 0 0 82 -71,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.889 108.5 52.4 -63.8 -37.9 111.4 -12.6 70.1 74 81 A K H > S+ 0 0 129 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.922 113.3 45.1 -62.9 -43.1 108.6 -13.9 72.4 75 82 A V H >< S+ 0 0 4 -4,-2.0 3,-0.7 1,-0.2 7,-0.3 0.972 116.4 43.5 -62.7 -56.5 108.5 -10.5 74.0 76 83 A I H 3< S+ 0 0 38 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.761 111.8 55.8 -61.8 -27.5 108.5 -8.5 70.8 77 84 A A H 3< S+ 0 0 85 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.762 122.0 24.4 -77.8 -27.3 106.0 -10.9 69.2 78 85 A D S+ 0 0 11 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.814 80.3 59.3 -60.3 -30.7 103.9 -7.1 73.8 80 87 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 105.9 44.8 -64.4 -46.3 100.4 -7.5 75.2 81 88 A A H > S+ 0 0 37 -3,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.875 112.7 53.8 -65.5 -36.2 101.2 -10.8 76.9 82 89 A F H X S+ 0 0 4 -4,-2.0 4,-1.0 -7,-0.3 3,-0.3 0.930 109.4 46.1 -64.9 -46.9 104.4 -9.2 78.2 83 90 A A H >X S+ 0 0 5 -4,-2.4 4,-2.9 1,-0.2 3,-0.9 0.942 112.9 51.3 -60.9 -45.4 102.7 -6.2 79.8 84 91 A R H 3X S+ 0 0 66 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.744 97.9 65.0 -66.4 -20.9 100.1 -8.5 81.3 85 92 A R H 3< S+ 0 0 93 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.855 114.3 34.9 -66.9 -31.9 102.8 -10.8 82.8 86 93 A L H X< S+ 0 0 1 -4,-1.0 3,-1.2 -3,-0.9 -2,-0.2 0.913 120.4 45.3 -85.0 -50.6 103.6 -7.7 84.9 87 94 A T H 3< S+ 0 0 14 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.772 110.8 55.8 -67.3 -26.8 100.1 -6.2 85.4 88 95 A N T 3< S+ 0 0 81 -4,-2.1 2,-1.1 -5,-0.2 -1,-0.2 0.400 71.2 114.5 -87.6 1.2 98.6 -9.6 86.3 89 96 A D <> - 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0 0 54 -2,-0.2 4,-2.8 1,-0.1 3,-0.3 -0.421 30.2-107.5 -75.8 157.2 97.8 -4.4 61.9 134 141 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.849 123.4 50.4 -50.7 -35.3 94.5 -3.6 63.7 135 142 A E H > S+ 0 0 72 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.886 109.8 47.8 -71.3 -41.4 94.6 -7.1 65.1 136 143 A Q H 4 S+ 0 0 99 -3,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.893 115.0 47.3 -65.7 -39.9 98.2 -6.7 66.4 137 144 A L H >< S+ 0 0 8 -4,-2.8 3,-2.1 1,-0.2 4,-0.5 0.969 110.5 49.7 -65.6 -54.7 97.3 -3.4 67.9 138 145 A V H >< S+ 0 0 1 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.811 103.3 62.6 -56.9 -31.8 94.1 -4.5 69.6 139 146 A D T 3< S+ 0 0 70 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.600 94.1 62.0 -72.6 -9.2 95.9 -7.5 71.2 140 147 A T T < S+ 0 0 10 -3,-2.1 2,-0.2 -4,-0.3 -1,-0.2 0.664 89.8 86.9 -89.2 -14.8 98.2 -5.3 73.2 141 148 A I S < S- 0 0 6 -3,-1.0 2,-0.8 -4,-0.5 185,-0.1 -0.605 74.8-130.5 -93.5 148.0 95.5 -3.7 75.2 142 149 A D - 0 0 29 -2,-0.2 -3,-0.1 183,-0.1 -2,-0.0 -0.824 20.3-174.6 -93.0 106.4 93.9 -4.9 78.4 143 150 A F >> + 0 0 37 -2,-0.8 3,-2.2 2,-0.1 4,-0.8 0.501 41.9 123.8 -82.0 -3.8 90.1 -4.8 77.9 144 151 A R T 34 S+ 0 0 38 1,-0.3 -2,-0.1 2,-0.2 537,-0.1 -0.351 82.1 10.8 -58.6 135.5 89.3 -5.8 81.4 145 152 A Y T 34 S+ 0 0 2 1,-0.1 -1,-0.3 155,-0.0 -2,-0.1 0.479 117.7 78.3 72.8 5.5 87.1 -3.1 83.1 146 153 A L T X> + 0 0 0 -3,-2.2 4,-3.4 4,-0.1 3,-3.2 0.560 54.0 99.3-118.0 -11.0 86.4 -1.5 79.7 147 154 A S T 3< S+ 0 0 48 -4,-0.8 4,-0.1 1,-0.3 -1,-0.1 0.696 80.6 60.5 -51.7 -21.9 83.8 -3.7 78.1 148 155 A D T 34 S+ 0 0 62 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.608 123.6 17.8 -82.5 -10.2 81.1 -1.3 79.1 149 156 A A T <4 S+ 0 0 4 -3,-3.2 2,-0.3 1,-0.2 -2,-0.2 0.589 134.1 23.5-129.9 -26.9 82.7 1.5 77.1 150 157 A L < - 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0 0 32 -3,-2.0 -73,-2.5 -73,-0.2 2,-0.4 -0.388 67.3-103.4 -72.1 149.2 111.0 15.9 115.5 506 78 B S B > -P 431 0G 2 808,-0.4 4,-2.1 -75,-0.2 -75,-0.2 -0.610 20.9-145.6 -74.8 123.8 109.8 16.7 119.0 507 79 B V H > S+ 0 0 0 -77,-1.6 4,-2.5 -2,-0.4 5,-0.3 0.916 102.0 51.5 -53.1 -46.4 107.6 13.9 120.3 508 80 B D H > S+ 0 0 60 -78,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.887 108.2 51.5 -59.7 -40.5 105.5 16.4 122.1 509 81 B K H > S+ 0 0 73 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.874 112.1 47.1 -65.9 -37.7 105.1 18.5 118.9 510 82 B V H >< S+ 0 0 4 -4,-2.1 3,-1.3 2,-0.2 7,-0.3 0.977 115.1 42.1 -67.0 -58.5 103.9 15.4 117.0 511 83 B I H 3< S+ 0 0 29 -4,-2.5 3,-0.5 1,-0.3 -2,-0.2 0.788 109.5 60.1 -60.3 -31.5 101.4 14.1 119.5 512 84 B A H 3< S+ 0 0 86 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.678 119.8 23.7 -73.1 -17.5 100.1 17.6 120.2 513 85 B D S+ 0 0 12 -3,-0.5 4,-2.2 1,-0.2 5,-0.2 0.784 80.4 62.0 -62.7 -26.1 98.4 14.9 114.6 515 87 B G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 107.0 42.5 -64.9 -44.6 96.7 17.0 111.9 516 88 B A H > S+ 0 0 36 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.897 112.4 53.4 -68.5 -41.9 99.9 18.9 111.2 517 89 B F H X S+ 0 0 3 -4,-2.0 4,-1.1 -7,-0.3 -2,-0.2 0.932 110.7 46.8 -59.1 -46.5 102.2 15.8 111.3 518 90 B A H >X S+ 0 0 5 -4,-2.2 4,-2.9 1,-0.2 3,-0.7 0.930 112.3 50.2 -61.6 -45.5 100.0 14.1 108.8 519 91 B R H 3X S+ 0 0 78 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.817 99.4 65.5 -64.0 -30.6 100.0 17.1 106.5 520 92 B R H 3< S+ 0 0 93 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.888 114.8 31.2 -57.6 -39.4 103.8 17.4 106.8 521 93 B L H X< S+ 0 0 0 -4,-1.1 3,-1.2 -3,-0.7 -2,-0.2 0.913 121.3 48.7 -84.1 -49.7 103.9 14.1 104.9 522 94 B T H 3< S+ 0 0 17 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.889 112.2 48.8 -59.1 -42.9 100.8 14.4 102.7 523 95 B N T 3< S+ 0 0 78 -4,-2.9 2,-0.6 -5,-0.2 -1,-0.2 0.400 77.2 120.9 -81.7 2.3 101.6 17.9 101.5 524 96 B D X> - 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0 0 47 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.326 29.0-109.6 -70.8 157.4 86.8 17.0 121.7 569 141 B P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.876 123.0 52.1 -55.2 -33.5 84.9 17.5 118.5 570 142 B E H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 924,-0.1 0.957 108.6 47.5 -65.8 -52.4 87.2 20.5 117.9 571 143 B Q H 4 S+ 0 0 88 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.815 112.5 51.7 -59.4 -33.1 90.4 18.4 118.4 572 144 B L H >< S+ 0 0 8 -4,-2.4 3,-2.3 1,-0.2 4,-0.5 0.972 107.9 48.6 -68.5 -54.7 89.0 15.7 116.1 573 145 B V H >< S+ 0 0 1 -4,-2.2 3,-1.3 1,-0.3 -2,-0.2 0.835 103.2 63.1 -55.1 -35.6 88.1 18.0 113.2 574 146 B D T 3< S+ 0 0 27 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.551 96.5 61.2 -70.2 -3.6 91.6 19.6 113.3 575 147 B T T < S+ 0 0 10 -3,-2.3 2,-0.3 -4,-0.1 -1,-0.2 0.655 92.5 80.6 -94.9 -16.6 93.1 16.2 112.5 576 148 B I S < S- 0 0 8 -3,-1.3 2,-1.0 -4,-0.5 185,-0.1 -0.624 75.3-126.8-101.1 155.2 91.5 15.8 109.1 577 149 B D - 0 0 32 -2,-0.3 -3,-0.1 1,-0.1 -2,-0.0 -0.794 22.0-177.1 -93.6 97.6 92.2 17.2 105.7 578 150 B F >> + 0 0 33 -2,-1.0 3,-1.8 -5,-0.1 4,-0.7 0.435 42.3 123.7 -76.2 1.8 89.0 18.8 104.4 579 151 B R T 34 S+ 0 0 79 1,-0.3 -2,-0.1 2,-0.2 -333,-0.1 -0.441 79.2 13.6 -66.3 135.1 90.5 19.6 101.1 580 152 B Y T 34 S+ 0 0 2 -2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.517 116.7 79.5 74.8 9.5 88.5 18.1 98.1 581 153 B L T X> + 0 0 0 -3,-1.8 4,-3.5 4,-0.1 3,-3.1 0.509 51.3 101.2-120.3 -10.8 85.6 17.4 100.5 582 154 B S T 3< S+ 0 0 48 -4,-0.7 4,-0.2 1,-0.3 -3,-0.1 0.699 80.6 59.2 -54.2 -18.3 83.8 20.8 100.9 583 155 B D T 34 S+ 0 0 66 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.495 124.8 17.2 -89.2 -0.3 81.1 19.7 98.5 584 156 B A T <4 S+ 0 0 4 -3,-3.1 2,-0.3 1,-0.1 -2,-0.2 0.554 136.0 21.8-135.0 -38.8 80.2 16.7 100.6 585 157 B L < - 0 0 0 -4,-3.5 -2,-0.2 -7,-0.1 2,-0.1 -0.857 66.0-171.0-142.2 104.8 81.6 17.2 104.1 586 158 B T > - 0 0 44 -2,-0.3 4,-1.6 -4,-0.2 5,-0.1 -0.461 38.5-107.4 -87.9 165.9 82.5 20.7 105.4 587 159 B R H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.895 121.2 46.5 -61.0 -41.4 84.3 21.3 108.6 588 160 B D H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.807 107.8 56.9 -71.9 -28.5 81.2 22.7 110.4 589 161 B E H > S+ 0 0 77 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.836 108.2 48.7 -69.1 -31.3 79.1 19.7 109.1 590 162 B A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.882 107.8 52.9 -74.1 -41.4 81.6 17.4 110.7 591 163 B L H X S+ 0 0 4 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.853 104.2 57.1 -63.0 -35.5 81.5 19.3 114.0 592 164 B A H X S+ 0 0 44 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.931 108.7 46.9 -61.0 -44.7 77.7 19.0 114.1 593 165 B I H X S+ 0 0 35 -4,-1.2 4,-0.8 1,-0.2 -2,-0.2 0.948 115.1 44.6 -61.4 -50.8 78.0 15.2 113.8 594 166 B L H < S+ 0 0 3 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.743 113.6 50.6 -68.3 -25.1 80.7 15.0 116.6 595 167 B R H < S+ 0 0 111 -4,-2.1 3,-0.3 2,-0.2 -1,-0.2 0.823 105.2 53.5 -83.0 -34.0 78.9 17.3 118.9 596 168 B D H < S+ 0 0 124 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.711 114.5 45.6 -72.1 -17.5 75.5 15.6 118.8 597 169 B A S < S+ 0 0 5 -4,-0.8 4,-0.2 202,-0.2 -1,-0.2 0.558 90.1 82.5-100.8 -11.9 77.3 12.4 119.7 598 170 B Q S > S+ 0 0 79 -4,-0.5 3,-1.4 -3,-0.3 4,-0.4 0.897 86.3 56.9 -62.0 -41.3 79.5 13.8 122.5 599 171 B P T 3 S+ 0 0 99 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.893 110.6 42.5 -58.2 -42.3 76.7 13.6 125.2 600 172 B Q T 3> S+ 0 0 93 -4,-0.3 4,-2.3 1,-0.2 5,-0.3 0.313 85.2 100.1 -88.5 9.9 76.1 9.8 124.7 601 173 B R H <> S+ 0 0 21 -3,-1.4 4,-2.0 -4,-0.2 -1,-0.2 0.906 81.2 50.3 -61.5 -41.3 79.8 9.0 124.5 602 174 B A H > S+ 0 0 80 -3,-0.5 4,-1.2 -4,-0.4 -1,-0.2 0.914 111.9 46.5 -62.4 -46.7 80.0 7.8 128.1 603 175 B A H >> S+ 0 0 61 -4,-0.3 4,-2.5 1,-0.2 3,-0.8 0.956 113.7 47.1 -61.7 -53.0 77.0 5.5 127.8 604 176 B R H 3X S+ 0 0 41 -4,-2.3 4,-2.8 1,-0.3 -1,-0.2 0.857 106.4 59.2 -59.3 -34.4 78.1 3.9 124.5 605 177 B T H 3X S+ 0 0 32 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.3 0.843 108.2 46.9 -62.2 -32.1 81.6 3.5 126.0 606 178 B A H + 0 0 0 193,-1.8 3,-1.4 -2,-0.4 4,-0.4 0.473 63.5 97.7-108.9 -11.4 86.0 -15.0 106.3 619 191 B S E 3 S+ 0 0 17 192,-0.6 3,-0.4 1,-0.3 -169,-0.1 0.755 81.4 52.8 -54.4 -29.0 88.1 -18.0 107.4 620 192 B P E 3 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 14,-0.2 0.790 106.2 57.3 -79.1 -19.8 85.6 -20.6 106.1 621 193 B G E < + x 0 647K 0 -3,-1.4 27,-2.3 25,-0.6 -2,-0.2 0.360 61.0 131.7 -97.4 5.4 85.4 -19.0 102.7 622 194 B W > - 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0 0 2 -391,-0.4 -25,-2.0 2,-0.3 2,-0.5 0.027 61.8 -75.4-118.2 32.5 116.8 34.7 117.1 1351 57 D G S > S+ 0 0 2 -27,-0.2 3,-2.2 -392,-0.1 4,-0.2 -0.932 104.3 60.1 126.3-114.6 119.4 32.2 115.8 1352 58 D R T 3 S+ 0 0 87 -2,-0.5 -2,-0.3 1,-0.3 -27,-0.1 -0.254 107.6 33.5 -53.1 139.1 121.6 32.9 112.8 1353 59 D G T 3> S+ 0 0 4 -4,-0.1 4,-2.5 -423,-0.1 3,-0.3 0.195 80.8 110.6 97.8 -16.9 123.7 36.0 113.5 1354 60 D N H <> S+ 0 0 0 -3,-2.2 4,-1.7 1,-0.3 -2,-0.1 0.787 78.2 55.3 -62.3 -25.8 124.1 35.5 117.2 1355 61 D D H > S+ 0 0 72 -4,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.882 107.3 48.6 -73.0 -37.2 127.7 34.7 116.6 1356 62 D V H > S+ 0 0 3 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.932 112.3 48.7 -65.1 -45.2 128.1 38.1 114.9 1357 63 D Q H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.831 110.4 51.9 -63.3 -34.3 126.3 39.8 117.8 1358 64 D T H X S+ 0 0 17 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.897 108.3 50.3 -70.1 -39.7 128.6 37.9 120.2 1359 65 D A H X S+ 0 0 36 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.882 106.1 57.3 -64.4 -38.1 131.7 39.1 118.3 1360 66 D A H < S+ 0 0 0 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.898 110.1 43.2 -59.9 -42.5 130.4 42.7 118.5 1361 67 D V H >< S+ 0 0 0 -4,-1.5 3,-1.8 1,-0.2 -1,-0.2 0.915 110.3 55.3 -69.4 -44.1 130.2 42.5 122.2 1362 68 D A H >< S+ 0 0 40 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.794 98.8 64.3 -59.6 -27.9 133.6 40.8 122.6 1363 69 D A T 3< S+ 0 0 32 -4,-1.6 3,-0.5 1,-0.3 -1,-0.3 0.684 89.8 66.8 -70.5 -17.7 135.1 43.7 120.6 1364 70 D L T X> S+ 0 0 2 -3,-1.8 4,-1.0 -4,-0.3 3,-1.0 0.428 72.0 99.0 -83.5 2.5 134.2 46.1 123.3 1365 71 D A H X> S+ 0 0 22 -3,-1.4 4,-2.8 1,-0.2 3,-0.7 0.887 74.6 56.6 -56.4 -46.1 136.7 44.5 125.7 1366 72 D E H 34 S+ 0 0 162 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.753 105.7 54.7 -60.2 -23.5 139.5 47.0 125.2 1367 73 D H H <4 S+ 0 0 35 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.804 120.5 25.5 -79.7 -31.0 137.1 49.7 126.3 1368 74 D V H X< S+ 0 0 0 -4,-1.0 3,-1.6 -3,-0.7 2,-0.3 0.784 89.7 98.2-107.2 -33.9 136.1 48.2 129.6 1369 75 D V T 3< S+ 0 0 54 -4,-2.8 -68,-0.2 1,-0.2 3,-0.1 -0.428 92.5 23.9 -64.1 121.7 138.9 45.9 130.9 1370 76 D G T 3 S+ 0 0 53 -70,-2.6 -1,-0.2 1,-0.4 -69,-0.1 -0.047 86.6 130.9 115.3 -30.8 140.9 47.8 133.5 1371 77 D L < - 0 0 37 -3,-1.6 -71,-2.7 -72,-0.1 -1,-0.4 -0.168 64.8-108.6 -55.5 147.8 138.3 50.4 134.5 1372 78 D S B > -T 1299 0S 22 -73,-0.2 4,-2.1 1,-0.1 -73,-0.3 -0.653 18.4-141.0 -80.2 134.4 137.8 50.8 138.2 1373 79 D V H > S+ 0 0 1 -75,-2.5 4,-2.9 -2,-0.3 5,-0.4 0.948 101.9 51.7 -59.5 -51.9 134.5 49.5 139.4 1374 80 D D H > S+ 0 0 60 -76,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.880 109.9 51.7 -52.3 -41.5 133.9 52.3 141.9 1375 81 D K H > S+ 0 0 150 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.935 113.8 42.2 -62.7 -48.8 134.5 54.8 139.0 1376 82 D V H >< S+ 0 0 6 -4,-2.1 3,-1.3 2,-0.2 7,-0.3 0.961 113.8 49.2 -63.3 -55.8 132.1 53.1 136.7 1377 83 D I H 3< S+ 0 0 30 -4,-2.9 3,-0.5 1,-0.3 -1,-0.2 0.826 109.9 55.3 -54.5 -33.8 129.3 52.5 139.2 1378 84 D A H 3< S+ 0 0 84 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 0.737 120.3 27.0 -73.5 -23.9 129.6 56.1 140.3 1379 85 D D S+ 0 0 9 -3,-0.5 4,-2.1 1,-0.2 5,-0.2 0.788 81.3 61.2 -59.1 -24.6 127.0 55.2 134.5 1381 87 D G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 106.4 41.3 -67.6 -47.9 126.6 58.3 132.3 1382 88 D A H > S+ 0 0 36 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.887 113.0 56.7 -66.6 -37.2 130.3 58.6 131.6 1383 89 D F H X S+ 0 0 4 -4,-2.2 4,-0.8 -7,-0.3 -2,-0.2 0.928 110.6 42.6 -58.3 -49.5 130.6 54.9 131.2 1384 90 D A H >X S+ 0 0 7 -4,-2.1 4,-3.2 1,-0.2 3,-0.8 0.911 112.8 52.3 -64.3 -46.2 128.0 54.7 128.5 1385 91 D R H 3X S+ 0 0 65 -4,-2.2 4,-2.9 1,-0.3 -1,-0.2 0.842 97.8 66.6 -60.6 -32.9 129.3 57.8 126.7 1386 92 D R H 3< S+ 0 0 112 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.893 115.0 30.3 -53.9 -39.1 132.8 56.2 126.7 1387 93 D L H X< S+ 0 0 1 -4,-0.8 3,-1.2 -3,-0.8 -2,-0.2 0.894 121.0 48.7 -85.9 -49.1 131.3 53.6 124.3 1388 94 D T H 3< S+ 0 0 19 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.809 110.2 53.2 -65.5 -29.4 128.6 55.6 122.5 1389 95 D N T 3< S+ 0 0 71 -4,-2.9 2,-1.0 -5,-0.3 -1,-0.3 0.447 73.2 116.7 -86.0 -1.1 131.0 58.5 121.8 1390 96 D D <> - 0 0 18 -3,-1.2 4,-2.5 1,-0.2 3,-0.2 -0.579 55.4-158.1 -68.0 106.2 133.6 56.2 120.1 1391 97 D S H > S+ 0 0 8 -2,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.810 88.5 53.0 -58.5 -32.3 133.4 57.8 116.6 1392 98 D Q H > S+ 0 0 2 2,-0.2 4,-0.6 1,-0.2 -475,-0.3 0.899 111.7 44.0 -72.8 -37.4 134.8 54.7 115.0 1393 99 D L H >4 S+ 0 0 11 -3,-0.2 3,-0.8 1,-0.2 -2,-0.2 0.849 108.8 60.9 -72.1 -31.9 132.2 52.4 116.6 1394 100 D R H >< S+ 0 0 11 -4,-2.5 3,-2.4 1,-0.2 -2,-0.2 0.880 93.0 64.5 -60.5 -38.2 129.6 55.1 115.7 1395 101 D W H 3< S+ 0 0 16 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.830 92.9 61.2 -56.2 -33.3 130.4 54.6 112.0 1396 102 D L T << S- 0 0 0 -3,-0.8 -427,-0.6 -4,-0.6 7,-0.3 0.482 135.0 -27.0 -73.2 0.1 129.1 51.0 112.2 1397 103 D G < - 0 0 3 -3,-2.4 -429,-0.3 -429,-0.2 -2,-0.1 0.328 59.9-126.3-126.1-101.5 125.8 52.6 113.2 1398 104 D P S S- 0 0 3 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.556 88.3 -31.8 -90.0 148.2 125.4 55.1 114.5 1399 105 D E S S+ 0 0 13 1,-0.1 2,-0.3 -11,-0.1 224,-0.1 0.888 119.3 86.4 51.1 48.9 123.3 54.1 117.5 1400 106 D K S > S+ 0 0 1 -6,-0.1 4,-0.8 222,-0.1 -431,-0.3 -0.966 70.6 8.4-168.7 153.3 121.5 51.3 115.6 1401 107 D G H > S- 0 0 3 -437,-0.3 4,-2.4 -2,-0.3 5,-0.2 -0.138 108.2 -19.1 71.4-164.7 121.9 47.6 114.7 1402 108 D V H > S+ 0 0 1 -439,-0.6 4,-2.3 -435,-0.3 -1,-0.2 0.880 133.4 48.9 -43.6 -58.4 124.5 45.1 115.9 1403 109 D M H > S+ 0 0 3 -7,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.899 113.0 47.7 -56.2 -43.6 127.1 47.5 117.2 1404 110 D H H X S+ 0 0 6 -4,-0.8 4,-2.7 -3,-0.2 -1,-0.2 0.905 110.9 50.1 -66.5 -41.3 124.6 49.5 119.2 1405 111 D M H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.879 108.0 54.4 -64.4 -37.2 122.9 46.5 120.8 1406 112 D A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.944 110.5 46.0 -59.3 -48.8 126.3 45.2 121.8 1407 113 D I H X S+ 0 0 7 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.918 109.8 54.3 -60.0 -45.7 127.1 48.5 123.5 1408 114 D G H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 217,-0.3 0.900 106.7 53.1 -56.3 -39.3 123.6 48.4 125.1 1409 115 D A H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.920 110.2 45.7 -62.5 -45.0 124.4 44.9 126.5 1410 116 D V H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.858 112.9 50.9 -67.3 -36.0 127.7 46.1 128.1 1411 117 D I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.923 109.1 50.9 -67.1 -43.7 126.0 49.2 129.5 1412 118 D N H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.920 107.7 53.2 -59.1 -42.6 123.2 47.0 131.0 1413 119 D A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -69,-0.2 0.886 106.7 52.9 -59.0 -39.4 125.9 44.8 132.6 1414 120 D A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.876 109.5 48.4 -64.9 -37.6 127.4 47.9 134.2 1415 121 D W H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.872 109.4 52.1 -69.4 -37.0 124.0 48.8 135.6 1416 122 D D H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.933 110.3 50.1 -62.6 -43.0 123.6 45.2 136.9 1417 123 D L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.932 109.9 50.2 -58.7 -48.7 127.1 45.6 138.5 1418 124 D A H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.891 111.2 47.6 -59.0 -43.5 126.0 48.9 140.1 1419 125 D A H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 4,-0.4 0.908 111.2 50.1 -65.8 -44.5 122.8 47.5 141.6 1420 126 D R H ><5S+ 0 0 32 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.901 109.3 52.6 -60.8 -40.6 124.5 44.4 143.0 1421 127 D A H 3<5S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.808 111.5 45.6 -65.4 -29.8 127.1 46.7 144.6 1422 128 D A T 3<5S- 0 0 41 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.462 112.6-126.3 -90.4 -0.7 124.3 48.7 146.2 1423 129 D N T < 5S+ 0 0 121 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.905 70.2 120.0 55.4 45.6 122.7 45.4 147.2 1424 130 D K S > -x 1703 0U 2 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.538 46.3-107.6 -71.8 147.4 117.3 45.1 142.6 1426 132 D L H 3> S+ 0 0 0 277,-2.4 4,-2.8 1,-0.2 5,-0.3 0.855 115.5 58.3 -44.6 -49.3 117.8 47.3 139.6 1427 133 D W H 3> S+ 0 0 2 276,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.890 111.4 42.2 -53.5 -39.9 114.3 49.0 139.8 1428 134 D R H <> S+ 0 0 77 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.870 111.7 54.9 -73.4 -35.6 115.0 50.2 143.3 1429 135 D F H < S+ 0 0 18 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.900 115.4 40.0 -61.8 -40.5 118.6 51.2 142.4 1430 136 D I H >< S+ 0 0 4 -4,-2.8 3,-1.4 -5,-0.2 -2,-0.2 0.941 116.7 47.6 -72.1 -51.4 117.2 53.4 139.5 1431 137 D A H 3< S+ 0 0 1 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.668 110.5 53.5 -67.5 -17.3 114.2 54.7 141.4 1432 138 D E T 3< S+ 0 0 69 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.2 0.321 83.3 103.2-103.1 9.8 116.2 55.6 144.4 1433 139 D L S < S- 0 0 23 -3,-1.4 -3,-0.0 1,-0.1 -4,-0.0 -0.597 82.0-102.7 -84.6 152.8 118.8 57.7 142.6 1434 140 D T > - 0 0 55 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.364 30.8-108.1 -72.7 157.4 118.4 61.5 143.0 1435 141 D P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.875 121.7 51.4 -52.0 -39.1 116.9 63.4 140.0 1436 142 D E H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.930 108.8 48.5 -64.6 -48.2 120.4 64.9 139.3 1437 143 D Q H > S+ 0 0 96 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.887 112.8 50.4 -59.1 -40.3 122.1 61.5 139.3 1438 144 D L H >X S+ 0 0 10 -4,-2.5 3,-1.7 1,-0.2 4,-0.7 0.974 110.8 46.5 -61.6 -57.8 119.4 60.2 137.0 1439 145 D V H >< S+ 0 0 2 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.812 103.5 64.1 -56.1 -34.1 119.7 63.0 134.5 1440 146 D D H 3< S+ 0 0 68 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.758 99.1 55.4 -65.1 -21.6 123.5 62.8 134.5 1441 147 D T H << S+ 0 0 8 -3,-1.7 -1,-0.2 -4,-0.7 -2,-0.2 0.778 92.6 87.7 -82.3 -25.1 123.2 59.3 133.0 1442 148 D I S << S- 0 0 6 -4,-0.7 2,-0.8 -3,-0.6 185,-0.1 -0.457 72.9-132.6 -82.0 147.5 121.1 60.3 130.0 1443 149 D D - 0 0 35 -2,-0.2 -3,-0.1 1,-0.1 -1,-0.1 -0.865 20.1-176.3 -96.8 106.6 122.4 61.6 126.6 1444 150 D F >> + 0 0 37 -2,-0.8 3,-2.1 -5,-0.1 4,-0.7 0.522 40.4 124.1 -83.9 -5.9 120.4 64.7 125.7 1445 151 D R T 34 S+ 0 0 37 1,-0.3 -2,-0.1 2,-0.2 -331,-0.1 -0.296 80.9 11.9 -56.0 137.2 122.1 65.1 122.3 1446 152 D Y T 34 S+ 0 0 1 -333,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.543 117.2 77.5 69.7 10.6 119.4 65.3 119.5 1447 153 D L T X> + 0 0 0 -3,-2.1 3,-3.5 4,-0.1 4,-3.2 0.520 53.0 103.4-122.5 -9.5 116.6 65.7 122.1 1448 154 D S T 3< S+ 0 0 44 -4,-0.7 4,-0.1 1,-0.3 -3,-0.1 0.705 79.9 59.2 -48.9 -24.2 116.9 69.4 123.1 1449 155 D D T 34 S+ 0 0 62 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.486 123.8 18.5 -84.6 -3.0 113.9 70.1 120.9 1450 156 D A T <4 S+ 0 0 2 -3,-3.5 2,-0.3 1,-0.1 -2,-0.2 0.555 134.1 22.1-135.5 -30.5 111.7 67.7 122.8 1451 157 D L < - 0 0 0 -4,-3.2 2,-0.2 -7,-0.2 -1,-0.1 -0.811 62.3-171.6-150.2 104.7 113.3 67.0 126.2 1452 158 D T > - 0 0 42 -2,-0.3 4,-2.4 -4,-0.1 5,-0.2 -0.518 40.2-111.0 -89.2 161.8 115.8 69.3 127.8 1453 159 D R H > S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.849 120.7 56.2 -62.1 -30.2 117.7 68.2 131.0 1454 160 D D H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 107.4 45.8 -67.2 -43.4 115.7 70.9 132.8 1455 161 D E H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.901 112.4 53.0 -66.1 -38.3 112.4 69.4 131.7 1456 162 D A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.956 109.0 48.6 -59.3 -52.2 113.7 66.0 132.6 1457 163 D L H X S+ 0 0 9 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.898 108.0 55.2 -53.9 -45.7 114.6 67.2 136.1 1458 164 D A H X S+ 0 0 46 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.902 108.5 47.2 -57.0 -45.3 111.2 68.8 136.6 1459 165 D I H X S+ 0 0 36 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.932 114.8 46.7 -62.9 -45.3 109.4 65.5 135.8 1460 166 D L H X S+ 0 0 3 -4,-2.3 4,-1.0 1,-0.2 3,-0.2 0.830 112.3 50.5 -66.9 -32.7 111.7 63.6 138.2 1461 167 D R H < S+ 0 0 118 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 104.7 55.4 -75.8 -33.9 111.3 66.2 141.0 1462 168 D D H < S+ 0 0 130 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.678 113.3 44.3 -71.6 -15.6 107.5 66.2 140.9 1463 169 D A H >< S+ 0 0 6 -4,-0.7 3,-1.2 202,-0.2 4,-0.5 0.657 89.5 85.4-100.6 -20.3 107.6 62.5 141.4 1464 170 D Q G >X S+ 0 0 84 -4,-1.0 3,-1.5 1,-0.3 4,-0.5 0.878 84.4 57.6 -49.8 -46.0 110.2 62.3 144.2 1465 171 D P G 34 S+ 0 0 91 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.797 110.9 43.0 -56.7 -31.2 107.7 62.9 147.0 1466 172 D Q G <> S+ 0 0 82 -3,-1.2 4,-2.6 1,-0.2 5,-0.2 0.349 86.3 94.0 -99.4 5.0 105.6 59.9 146.0 1467 173 D R H <> S+ 0 0 24 -3,-1.5 4,-2.1 -4,-0.5 5,-0.2 0.939 84.6 51.5 -61.7 -47.4 108.5 57.5 145.4 1468 174 D A H X S+ 0 0 80 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.945 114.4 42.8 -54.7 -51.8 108.4 56.1 148.9 1469 175 D A H > S+ 0 0 62 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.882 113.2 50.8 -64.4 -41.6 104.6 55.4 148.7 1470 176 D R H X S+ 0 0 42 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.811 105.7 57.6 -68.8 -27.3 104.7 54.0 145.2 1471 177 D T H X S+ 0 0 23 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.966 108.5 45.5 -64.4 -50.7 107.5 51.7 146.2 1472 178 D A H X S+ 0 0 59 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.903 113.1 50.6 -58.1 -43.8 105.3 50.2 148.9 1473 179 D T H X S+ 0 0 49 -4,-2.2 4,-2.4 1,-0.2 5,-0.4 0.909 111.7 47.4 -61.3 -43.2 102.3 50.0 146.5 1474 180 D L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 224,-0.4 0.873 111.4 49.9 -67.3 -38.3 104.5 48.2 143.9 1475 181 D I H < S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.775 115.9 45.4 -71.6 -24.3 105.9 45.8 146.5 1476 182 D E H < S+ 0 0 147 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.835 127.7 18.8 -87.7 -36.9 102.3 45.0 147.7 1477 183 D Q H < S- 0 0 85 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.638 90.8-139.3-113.0 -16.9 100.4 44.6 144.4 1478 184 D G < - 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