==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JUL-12 4G19 . COMPND 2 MOLECULE: GLUTATHIONE TRANSFERASE GTE1; . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR C.DIDIERJEAN,F.FAVIER,P.PROSPER . 1002 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 716 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 26 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 427 42.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 3.1 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 0 0 0 3 5 0 0 6 1 7 4 4 0 4 1 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 . 0 4 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A A 0 0 114 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.3 -32.7 40.6 145.7 2 3 A Q - 0 0 120 1,-0.1 77,-0.2 35,-0.0 35,-0.1 -0.646 360.0 -95.5 -84.9 147.8 -31.0 43.8 146.8 3 4 A P - 0 0 42 0, 0.0 35,-0.3 0, 0.0 2,-0.2 -0.329 35.3-120.0 -62.6 138.9 -31.5 46.9 144.5 4 5 A I E -a 38 0A 2 33,-2.5 35,-2.4 73,-0.1 2,-0.6 -0.533 27.7-120.7 -69.2 144.8 -28.8 47.6 141.9 5 6 A V E -aB 39 76A 17 71,-2.9 71,-2.2 33,-0.2 2,-0.5 -0.864 28.8-162.2 -94.2 123.2 -27.2 51.0 142.5 6 7 A F E -aB 40 75A 0 33,-3.3 35,-3.3 -2,-0.6 2,-0.6 -0.916 6.3-149.6-112.9 118.5 -27.6 53.1 139.3 7 8 A Y E +aB 41 74A 22 67,-2.5 67,-0.6 -2,-0.5 2,-0.3 -0.793 29.1 160.6 -96.6 122.8 -25.4 56.2 138.8 8 9 A D E -a 42 0A 0 33,-2.5 35,-3.2 -2,-0.6 -2,-0.0 -0.863 41.6-103.1-138.7 162.5 -27.1 59.0 136.9 9 10 A I - 0 0 7 -2,-0.3 11,-0.4 33,-0.2 12,-0.3 -0.827 37.5-138.9 -96.5 124.5 -26.7 62.8 136.3 10 11 A P - 0 0 16 0, 0.0 131,-0.3 0, 0.0 2,-0.3 -0.114 14.3-152.9 -75.6 175.3 -29.2 65.0 138.2 11 12 A S - 0 0 3 6,-0.3 129,-0.2 129,-0.2 128,-0.1 -0.926 12.5-110.4-144.3 168.9 -31.0 68.1 136.9 12 13 A N > > - 0 0 40 127,-3.0 5,-2.7 -2,-0.3 3,-1.0 -0.060 49.8 -75.7 -90.9-165.1 -32.5 71.3 138.2 13 14 A E G > 5S+ 0 0 155 3,-0.2 3,-1.7 1,-0.2 126,-0.1 0.674 111.4 83.1 -70.0 -20.3 -36.1 72.6 138.5 14 15 A R G 3 5S+ 0 0 105 1,-0.3 -1,-0.2 124,-0.2 125,-0.1 0.873 111.7 21.0 -53.0 -39.4 -36.5 73.3 134.8 15 16 A I G X 5S- 0 0 17 -3,-1.0 3,-1.6 124,-0.2 -1,-0.3 0.018 119.0-104.6-117.5 26.4 -37.3 69.7 134.2 16 17 A K T < 5S- 0 0 183 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.839 70.0 -64.1 53.4 41.4 -38.3 69.1 137.8 17 18 A H T 3 - 0 0 7 -12,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.318 51.6-147.4 -63.3 133.5 -29.4 61.8 129.7 22 23 A P H > S+ 0 0 6 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.790 99.5 53.0 -67.9 -27.6 -29.9 59.6 126.6 23 24 A N H > S+ 0 0 57 2,-0.2 4,-0.7 1,-0.2 3,-0.4 0.932 113.3 38.5 -73.9 -47.7 -26.9 57.5 127.7 24 25 A T H >> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.845 108.8 64.9 -71.8 -30.3 -28.1 56.8 131.2 25 26 A W H 3X S+ 0 0 4 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.810 91.0 64.5 -61.8 -28.0 -31.6 56.4 129.9 26 27 A K H 3X S+ 0 0 14 -4,-0.8 4,-1.5 -3,-0.4 -1,-0.2 0.911 110.9 37.3 -59.6 -37.7 -30.5 53.3 127.9 27 28 A I H S+ 0 0 0 -4,-2.8 5,-2.2 2,-0.2 4,-0.7 0.912 117.4 45.8 -62.0 -44.0 -33.5 48.0 134.2 32 33 A N H ><5S+ 0 0 15 -4,-2.6 3,-0.6 -5,-0.2 -2,-0.2 0.922 113.3 49.2 -64.7 -45.5 -37.2 49.0 133.9 33 34 A Y H 3<5S+ 0 0 42 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.876 113.7 45.9 -61.5 -40.3 -37.8 46.7 131.0 34 35 A K H 3<5S- 0 0 12 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.573 108.6-126.5 -81.2 -10.5 -36.2 43.8 132.8 35 36 A G T <<5 + 0 0 66 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.788 52.9 157.6 71.0 29.3 -38.2 44.6 136.0 36 37 A L < - 0 0 27 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.644 43.5-116.9 -88.5 143.6 -35.0 44.7 138.1 37 38 A K + 0 0 124 -2,-0.3 -33,-2.5 -35,-0.1 2,-0.3 -0.576 47.5 151.8 -78.6 138.1 -35.0 46.6 141.4 38 39 A Y E -a 4 0A 27 -35,-0.3 2,-0.3 -2,-0.3 -33,-0.2 -0.976 32.7-142.8-154.7 167.0 -32.6 49.5 141.5 39 40 A K E -a 5 0A 115 -35,-2.4 -33,-3.3 -2,-0.3 2,-0.4 -0.994 24.7-120.7-135.5 146.0 -32.0 52.9 143.2 40 41 A T E -a 6 0A 12 -2,-0.3 2,-0.5 -35,-0.2 -33,-0.2 -0.689 15.3-164.2 -90.1 131.4 -30.4 56.0 141.6 41 42 A E E -a 7 0A 102 -35,-3.3 -33,-2.5 -2,-0.4 2,-0.4 -0.978 22.8-137.2-104.4 127.3 -27.3 57.7 142.9 42 43 A W E -a 8 0A 106 -2,-0.5 2,-0.4 -35,-0.2 -33,-0.2 -0.714 23.4-178.6 -92.4 129.0 -27.0 61.2 141.5 43 44 A V - 0 0 9 -35,-3.2 5,-0.1 -2,-0.4 2,-0.1 -0.973 21.4-133.9-131.3 122.3 -23.6 62.4 140.3 44 45 A E >> - 0 0 34 -2,-0.4 3,-1.6 -35,-0.2 4,-0.6 -0.381 33.1-107.4 -66.7 149.0 -22.7 65.8 138.8 45 46 A Y G >4 S+ 0 0 28 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.869 116.9 49.1 -43.4 -54.1 -20.6 65.9 135.6 46 47 A P G 34 S+ 0 0 47 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.695 110.9 52.6 -69.8 -11.6 -17.3 67.1 137.2 47 48 A D G <> S+ 0 0 59 -3,-1.6 4,-2.6 1,-0.1 5,-0.2 0.527 83.0 89.6 -95.1 -7.9 -17.6 64.5 140.0 48 49 A I H S+ 0 0 39 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.918 114.6 42.4 -54.7 -50.3 -14.3 60.6 137.4 50 51 A G H > S+ 0 0 25 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.889 114.7 50.3 -65.4 -41.4 -13.7 60.6 141.2 51 52 A V H X S+ 0 0 46 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.944 113.3 44.8 -65.8 -45.4 -16.9 58.7 142.0 52 53 A V H X>S+ 0 0 1 -4,-3.0 5,-3.0 -5,-0.2 4,-0.8 0.916 113.1 51.1 -64.7 -43.7 -16.2 56.0 139.5 53 54 A Q H ><5S+ 0 0 101 -4,-2.3 3,-0.8 -5,-0.3 -1,-0.2 0.907 109.2 51.2 -57.3 -43.5 -12.6 55.7 140.5 54 55 A K H 3<5S+ 0 0 173 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.858 106.7 54.1 -62.8 -36.8 -13.7 55.4 144.2 55 56 A L H 3<5S- 0 0 50 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.703 120.0-113.0 -66.9 -20.2 -16.1 52.6 143.2 56 57 A G T <<5S+ 0 0 56 -4,-0.8 -3,-0.2 -3,-0.8 -2,-0.1 0.600 70.3 147.1 89.5 15.9 -13.2 50.8 141.6 57 58 A G < - 0 0 10 -5,-3.0 -1,-0.2 -6,-0.2 27,-0.1 -0.202 42.0-121.8 -78.0 174.4 -14.7 51.4 138.3 58 59 A K - 0 0 134 13,-0.1 13,-0.3 -3,-0.1 2,-0.1 -0.819 21.0-104.0-119.3 154.6 -12.9 52.0 135.0 59 60 A P - 0 0 37 0, 0.0 11,-0.3 0, 0.0 26,-0.1 -0.431 23.0-146.7 -69.2 154.7 -12.9 54.7 132.4 60 61 A T + 0 0 31 9,-2.1 2,-0.3 -2,-0.1 10,-0.2 0.549 69.2 5.2-103.7 -11.4 -14.8 53.9 129.2 61 62 A E E -D 69 0B 112 8,-1.4 8,-2.5 6,-0.0 2,-0.5 -0.935 69.7-102.5-156.0-177.7 -12.7 55.8 126.7 62 63 A K E -D 68 0B 128 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.964 27.7-135.0-116.3 127.9 -9.6 57.8 125.9 63 64 A T > - 0 0 32 4,-2.3 3,-3.1 -2,-0.5 4,-0.3 -0.422 39.2 -99.3 -69.2 157.2 -9.7 61.6 125.5 64 65 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.784 125.1 63.7 -49.9 -29.1 -7.6 62.8 122.5 65 66 A D T 3 S- 0 0 119 1,-0.1 3,-0.1 2,-0.0 -2,-0.0 0.562 121.1-108.9 -71.4 -9.4 -4.8 63.7 125.0 66 67 A G S < S+ 0 0 50 -3,-3.1 2,-0.2 1,-0.3 -1,-0.1 0.697 76.4 137.1 83.4 20.6 -4.5 60.0 125.8 67 68 A R - 0 0 170 -4,-0.3 -4,-2.3 1,-0.1 -1,-0.3 -0.594 62.2 -94.5 -92.9 160.4 -6.1 60.5 129.2 68 69 A D E -D 62 0B 77 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.545 34.1-154.6 -74.4 140.2 -8.7 58.3 130.8 69 70 A H E -D 61 0B 45 -8,-2.5 -9,-2.1 -2,-0.2 -8,-1.4 -0.958 4.5-157.7-121.6 113.2 -12.4 59.4 130.3 70 71 A Y + 0 0 39 -2,-0.5 2,-0.3 -11,-0.3 -21,-0.2 -0.715 17.4 179.7 -91.9 139.2 -15.0 58.3 132.9 71 72 A T - 0 0 31 -2,-0.3 15,-0.2 -13,-0.3 -13,-0.1 -0.934 17.4 -95.9-136.0 157.1 -18.6 58.2 131.9 72 73 A L S S+ 0 0 13 -2,-0.3 2,-0.1 13,-0.1 -48,-0.1 -0.842 79.8 70.7-106.0 154.7 -22.1 57.4 133.2 73 74 A P + 0 0 3 0, 0.0 13,-1.0 0, 0.0 2,-0.3 0.397 62.3 152.6 -74.1 154.1 -24.1 55.2 133.3 74 75 A V E -BC 7 85A 0 -67,-0.6 -67,-2.5 11,-0.2 2,-0.3 -0.957 23.3-159.0-138.8 147.1 -22.3 52.9 135.7 75 76 A I E -BC 6 84A 0 9,-2.6 9,-2.3 -2,-0.3 2,-0.5 -0.931 11.9-153.3-122.6 155.6 -23.9 50.4 138.1 76 77 A Y E -BC 5 83A 68 -71,-2.2 -71,-2.9 -2,-0.3 7,-0.2 -0.985 13.4-158.3-120.3 118.0 -22.9 48.7 141.2 77 78 A D E >>> - C 0 82A 0 5,-3.0 4,-1.4 -2,-0.5 3,-1.4 -0.856 6.7-168.3 -98.5 106.3 -24.6 45.3 141.7 78 79 A P T 345S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -74,-0.1 0.725 84.4 67.3 -64.7 -19.7 -24.5 44.4 145.4 79 80 A N T 345S+ 0 0 58 -77,-0.2 -75,-0.0 1,-0.2 -2,-0.0 0.683 120.0 16.4 -74.1 -18.9 -25.7 40.9 144.4 80 81 A T T <45S- 0 0 50 -3,-1.4 -1,-0.2 2,-0.2 3,-0.1 0.333 100.8-124.1-129.8 -3.4 -22.5 40.1 142.6 81 82 A K T <5 + 0 0 161 -4,-1.4 2,-0.4 1,-0.2 -2,-0.0 0.822 64.0 142.8 57.1 36.8 -20.3 42.8 144.1 82 83 A K E < -C 77 0A 110 -5,-1.4 -5,-3.0 2,-0.0 2,-0.5 -0.888 45.7-151.9-113.4 136.6 -19.5 44.0 140.6 83 84 A V E -C 76 0A 37 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.913 21.5-172.3 -97.6 129.0 -19.1 47.5 139.2 84 85 A V E -C 75 0A 15 -9,-2.3 -9,-2.6 -2,-0.5 2,-0.2 -0.989 4.3-177.3-129.7 131.9 -20.0 47.7 135.5 85 86 A E E +C 74 0A 30 -2,-0.4 -11,-0.2 -11,-0.2 4,-0.1 -0.727 45.1 58.6-123.2 168.7 -19.5 50.7 133.2 86 87 A D S > S- 0 0 75 -13,-1.0 4,-2.6 -15,-0.2 3,-0.4 0.806 74.7-119.2 73.1 113.6 -20.3 51.5 129.5 87 88 A S H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.834 110.4 49.4 -54.6 -43.5 -24.1 51.2 128.7 88 89 A A H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 115.0 46.1 -64.6 -40.8 -23.8 48.5 126.0 89 90 A A H > S+ 0 0 48 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.874 110.6 52.7 -66.3 -39.8 -21.7 46.4 128.4 90 91 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.933 109.4 49.9 -62.2 -43.9 -24.0 47.0 131.3 91 92 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 13,-0.2 0.888 111.8 47.3 -61.5 -40.6 -27.0 45.9 129.2 92 93 A K H X S+ 0 0 57 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.923 109.7 54.0 -66.8 -44.0 -25.1 42.7 128.2 93 94 A Y H X S+ 0 0 13 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.865 106.9 51.9 -55.7 -40.6 -24.2 42.1 131.8 94 95 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.879 108.6 50.4 -67.7 -40.5 -27.8 42.3 132.7 95 96 A D H < S+ 0 0 2 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.945 117.8 39.6 -56.1 -50.9 -28.8 39.7 130.1 96 97 A E H < S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.902 119.1 43.5 -71.4 -41.9 -26.1 37.3 131.3 97 98 A T H < S+ 0 0 47 -4,-2.9 -1,-0.2 1,-0.3 -3,-0.2 0.789 122.8 36.8 -77.8 -29.1 -26.5 37.8 135.1 98 99 A Y >< + 0 0 44 -4,-1.7 3,-1.7 -5,-0.3 -1,-0.3 -0.665 68.1 167.7-124.0 73.7 -30.3 37.8 135.1 99 100 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.651 70.2 66.8 -67.9 -15.5 -31.2 35.2 132.5 100 101 A D T 3 S+ 0 0 163 -3,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.660 87.3 86.2 -77.7 -15.5 -34.9 35.1 133.6 101 102 A T S < S- 0 0 20 -3,-1.7 -67,-0.1 -7,-0.2 -66,-0.1 -0.541 98.5 -83.4 -86.4 152.6 -35.4 38.7 132.4 102 103 A P - 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0 0 47 -131,-0.3 4,-3.6 -2,-0.2 5,-0.2 -0.273 48.4 -99.1 -57.7 157.0 -27.1 72.0 138.3 142 143 A P H > S+ 0 0 108 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.870 121.9 46.4 -57.5 -45.8 -24.5 74.9 138.2 143 144 A R H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.905 117.3 45.8 -62.3 -41.0 -21.3 72.9 138.6 144 145 A S H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.916 111.4 52.5 -65.6 -44.5 -22.6 70.5 135.9 145 146 A H H X S+ 0 0 43 -4,-3.6 4,-3.1 1,-0.2 5,-0.3 0.940 108.7 50.1 -54.6 -51.0 -23.6 73.4 133.7 146 147 A D H X S+ 0 0 121 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.919 115.9 41.1 -54.6 -49.2 -20.2 74.9 134.0 147 148 A Y H X S+ 0 0 76 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.920 116.4 49.2 -64.9 -46.1 -18.4 71.7 133.1 148 149 A F H X S+ 0 0 2 -4,-3.0 4,-2.2 2,-0.2 5,-0.3 0.909 113.3 45.3 -65.2 -45.3 -20.8 70.7 130.3 149 150 A R H X S+ 0 0 43 -4,-3.1 4,-2.3 -5,-0.3 5,-0.3 0.943 114.2 49.8 -65.1 -45.9 -20.8 74.1 128.6 150 151 A S H X S+ 0 0 76 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.961 117.2 38.5 -53.2 -56.3 -17.0 74.3 128.8 151 152 A T H X S+ 0 0 45 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.901 118.7 45.8 -67.9 -43.1 -16.3 70.9 127.3 152 153 A R H X S+ 0 0 54 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.887 112.1 50.1 -72.8 -38.0 -19.1 70.8 124.7 153 154 A E H X S+ 0 0 29 -4,-2.3 4,-2.1 -5,-0.3 5,-0.3 0.897 111.2 50.6 -64.8 -37.5 -18.4 74.3 123.4 154 155 A Q H < S+ 0 0 160 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.890 112.5 48.8 -63.2 -37.2 -14.7 73.3 123.1 155 156 A K H < S+ 0 0 152 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.902 121.6 30.5 -69.3 -45.3 -15.8 70.2 121.2 156 157 A F H < S- 0 0 36 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.606 96.8-132.3 -97.4 -12.0 -18.2 71.9 118.7 157 158 A G S < S+ 0 0 64 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.1 0.655 74.7 83.8 72.2 17.2 -16.4 75.2 118.5 158 159 A K S S- 0 0 113 -5,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.916 88.6 -89.8-137.3 166.1 -19.6 77.3 118.9 159 160 A K > - 0 0 100 -2,-0.3 3,-2.2 1,-0.1 4,-0.4 -0.499 40.4-116.8 -71.5 149.4 -21.6 78.6 121.8 160 161 A L G >> S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.855 116.6 63.9 -56.6 -33.5 -24.4 76.2 122.8 161 162 A E G 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.677 100.9 51.6 -61.9 -20.5 -26.8 78.9 121.8 162 163 A E G <4 S+ 0 0 112 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.454 89.6 79.9 -97.2 -4.5 -25.6 78.6 118.2 163 164 A L T <4 S+ 0 0 10 -3,-1.4 2,-0.5 -4,-0.4 -2,-0.1 0.853 71.2 80.4 -78.4 -36.5 -25.9 74.8 117.7 164 165 A A < + 0 0 58 -4,-0.5 2,-0.3 -33,-0.1 -33,-0.1 -0.631 58.8 149.8 -73.4 120.7 -29.7 74.5 117.0 165 166 A T > - 0 0 58 -2,-0.5 4,-1.3 1,-0.1 3,-0.2 -0.892 59.7-108.1-138.3 172.1 -30.5 75.3 113.4 166 167 A E H > S+ 0 0 120 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.811 117.6 65.0 -72.6 -26.9 -33.0 74.2 110.7 167 168 A E H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 101.4 50.8 -58.0 -36.3 -30.2 72.3 109.0 168 169 A E H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 106.0 53.7 -69.9 -40.2 -30.2 70.1 112.1 169 170 A W H X S+ 0 0 18 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.908 109.2 49.5 -57.1 -43.1 -33.9 69.6 111.9 170 171 A A H X S+ 0 0 56 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.870 109.7 51.0 -63.8 -37.8 -33.4 68.5 108.3 171 172 A K H X S+ 0 0 90 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.845 108.4 52.6 -68.8 -35.2 -30.6 66.1 109.4 172 173 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.938 110.7 46.6 -63.3 -47.6 -32.9 64.7 112.0 173 174 A E H X S+ 0 0 88 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.895 112.9 49.7 -64.0 -38.7 -35.6 64.0 109.5 174 175 A A H X S+ 0 0 55 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.874 110.3 50.8 -64.9 -39.4 -33.1 62.4 107.1 175 176 A G H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.899 111.3 47.2 -66.3 -40.7 -31.7 60.2 109.9 176 177 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.841 106.3 59.1 -69.5 -31.2 -35.2 59.1 110.8 177 178 A A H X S+ 0 0 47 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.868 106.5 48.3 -63.2 -36.1 -36.0 58.4 107.1 178 179 A K H X S+ 0 0 93 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.939 112.7 46.8 -68.2 -48.7 -33.0 56.0 107.0 179 180 A L H X S+ 0 0 10 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.877 109.7 53.8 -58.4 -42.2 -34.2 54.2 110.1 180 181 A K H X S+ 0 0 70 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.902 107.5 53.1 -59.5 -39.2 -37.8 54.1 108.7 181 182 A G H X S+ 0 0 40 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.894 108.1 48.4 -62.8 -42.6 -36.2 52.4 105.6 182 183 A Y H >< S+ 0 0 18 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.944 112.6 48.7 -62.7 -48.3 -34.5 49.8 107.7 183 184 A L H >< S+ 0 0 2 -4,-2.4 3,-1.6 1,-0.2 4,-0.4 0.831 101.8 63.1 -61.4 -35.4 -37.7 49.1 109.6 184 185 A D H >< S+ 0 0 68 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.789 89.1 70.2 -61.5 -26.2 -39.7 48.8 106.4 185 186 A A T << S+ 0 0 45 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.762 91.0 61.3 -60.8 -23.4 -37.5 45.8 105.5 186 187 A N T < S- 0 0 21 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.715 111.6-122.5 -73.5 -22.1 -39.4 44.0 108.3 187 188 A G X - 0 0 29 -3,-1.4 3,-2.4 -4,-0.4 4,-0.2 0.031 42.0 -43.5 92.7 154.3 -42.7 44.4 106.5 188 189 A K T 3 S+ 0 0 200 1,-0.3 -4,-0.0 2,-0.2 4,-0.0 -0.241 130.8 25.2 -51.6 134.5 -46.0 46.0 107.5 189 190 A G T 3 S+ 0 0 53 7,-0.0 8,-0.3 8,-0.0 -1,-0.3 0.196 121.2 59.1 90.1 -17.0 -46.9 45.0 111.1 190 191 A N S X S+ 0 0 62 -3,-2.4 3,-0.6 6,-0.2 6,-0.4 0.218 76.3 95.7-122.8 12.3 -43.3 44.4 111.9 191 192 A D T 3 + 0 0 37 -4,-0.2 -8,-0.1 1,-0.2 3,-0.1 0.100 69.7 66.5 -99.8 22.2 -41.9 47.9 111.2 192 193 A L T 3 S+ 0 0 47 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.443 101.5 43.3-118.9 -4.7 -42.0 49.4 114.7 193 194 A L S X S- 0 0 13 -3,-0.6 3,-2.4 -10,-0.1 -1,-0.2 -0.993 83.6-122.7-133.7 144.1 -39.3 47.2 116.3 194 195 A L T 3 S+ 0 0 1 -2,-0.3 169,-0.6 1,-0.3 170,-0.4 0.850 116.0 38.0 -53.0 -37.8 -36.0 46.2 114.8 195 196 A M T 3 S- 0 0 29 5,-0.5 -1,-0.3 1,-0.3 3,-0.2 0.195 120.7-109.8-100.0 17.6 -36.8 42.5 115.2 196 197 A G X> - 0 0 3 -3,-2.4 3,-1.5 -6,-0.4 4,-0.8 -0.009 47.1 -53.3 82.2 173.6 -40.5 42.9 114.3 197 198 A A T 34 S+ 0 0 52 -8,-0.3 3,-0.3 1,-0.3 -1,-0.2 0.844 137.5 38.4 -58.4 -36.7 -43.6 42.6 116.4 198 199 A Q T 34 S+ 0 0 185 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.394 102.0 72.7 -97.6 3.4 -42.8 39.2 117.8 199 200 A G T <4 S- 0 0 36 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.697 91.9-142.6 -89.1 -20.8 -39.1 39.7 118.2 200 201 A G < - 0 0 26 -4,-0.8 -5,-0.5 -3,-0.3 2,-0.3 -0.058 34.8 -39.8 83.0 173.5 -39.4 42.0 121.2 201 202 A I - 0 0 15 -7,-0.1 2,-0.2 -8,-0.1 -8,-0.1 -0.552 58.0-163.8 -75.1 130.1 -37.5 45.1 122.3 202 203 A T > - 0 0 0 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.653 36.7-106.1-104.3 170.9 -33.7 45.0 121.8 203 204 A Y H > S+ 0 0 0 -99,-2.3 4,-1.8 1,-0.2 -98,-0.1 0.870 122.5 58.5 -59.2 -35.2 -31.0 47.2 123.2 204 205 A S H > S+ 0 0 0 -100,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.864 103.7 49.5 -64.7 -39.5 -30.8 48.8 119.8 205 206 A D H > S+ 0 0 1 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.906 109.1 53.5 -61.9 -42.4 -34.5 49.8 119.9 206 207 A I H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.845 101.7 59.5 -62.3 -33.6 -33.8 51.3 123.4 207 208 A Q H X S+ 0 0 2 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.919 109.5 42.7 -59.5 -43.1 -31.0 53.3 121.9 208 209 A I H >X S+ 0 0 5 -4,-1.3 4,-1.4 1,-0.2 3,-0.8 0.927 112.6 52.4 -71.7 -44.9 -33.4 55.0 119.5 209 210 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.834 102.4 61.7 -55.5 -32.1 -36.1 55.4 122.2 210 211 A S H 3X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.805 100.4 52.2 -69.2 -30.4 -33.4 57.1 124.4 211 212 A F H < - 0 0 28 -4,-2.3 3,-1.9 -5,-0.5 6,-0.4 0.185 16.9-105.2 101.3 134.2 -41.3 69.3 127.4 221 222 A E T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -4,-0.1 -4,-0.1 0.775 120.8 52.1 -64.9 -24.9 -44.0 67.0 126.2 222 223 A G T 3 S+ 0 0 80 -6,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.407 87.7 113.4 -90.0 3.5 -46.3 69.9 125.5 223 224 A S S <> S- 0 0 22 -3,-1.9 4,-1.8 -7,-0.2 5,-0.1 -0.343 71.8-130.4 -75.7 155.5 -43.7 71.8 123.5 224 225 A E H > S+ 0 0 159 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.792 108.7 59.2 -72.1 -29.1 -44.1 72.5 119.8 225 226 A K H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.941 107.2 45.4 -65.2 -45.0 -40.6 71.2 119.2 226 227 A W H > S+ 0 0 7 -6,-0.4 4,-2.3 2,-0.2 5,-0.2 0.923 112.9 51.0 -61.0 -43.5 -41.6 67.8 120.6 227 228 A K H X S+ 0 0 118 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.895 110.4 50.1 -62.4 -38.2 -44.8 67.8 118.6 228 229 A R H < S+ 0 0 101 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.904 110.1 50.4 -64.8 -43.2 -42.8 68.6 115.5 229 230 A L H >< S+ 0 0 5 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.958 113.6 41.5 -62.3 -52.0 -40.3 65.7 116.1 230 231 A I H 3< S+ 0 0 21 -4,-2.3 8,-1.1 1,-0.3 7,-0.2 0.591 106.9 64.2 -78.0 -7.8 -42.9 62.9 116.7 231 232 A S T >X S+ 0 0 62 -4,-0.9 4,-1.0 -5,-0.2 3,-0.6 0.547 76.3 117.4 -87.4 -8.1 -45.1 64.1 113.8 232 233 A L H X>>S+ 0 0 20 -3,-1.3 5,-0.8 -4,-0.4 3,-0.6 -0.230 76.7 16.8 -59.4 148.9 -42.3 63.4 111.3 233 234 A H H >45S- 0 0 43 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.909 139.8 -54.2 49.6 51.0 -43.2 60.7 108.7 234 235 A D H <45S- 0 0 172 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.794 104.0 -55.8 60.7 33.4 -46.9 60.9 109.3 235 236 A G H XX5S+ 0 0 12 -4,-1.0 4,-1.4 -3,-0.6 3,-0.5 0.588 94.0 139.4 78.0 14.1 -46.5 60.3 113.0 236 237 A K H S+ 0 0 29 -8,-1.1 4,-1.7 -3,-0.5 -1,-0.2 0.903 110.6 43.6 -59.3 -42.5 -45.2 58.8 117.9 239 240 A Q H X S+ 0 0 110 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.899 114.6 48.6 -69.8 -44.9 -46.1 55.1 117.5 240 241 A F H >< S+ 0 0 3 -4,-2.3 3,-1.2 1,-0.2 4,-0.2 0.973 115.2 43.9 -57.2 -54.2 -42.6 53.9 117.8 241 242 A Y H >X S+ 0 0 9 -4,-3.0 3,-2.2 1,-0.3 4,-0.5 0.829 101.2 67.6 -64.0 -34.4 -41.9 56.0 120.9 242 243 A A H >< S+ 0 0 53 -4,-1.7 3,-0.6 1,-0.3 4,-0.4 0.762 87.9 69.6 -61.0 -24.6 -45.3 55.1 122.6 243 244 A Q T << S+ 0 0 48 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.725 102.0 45.8 -57.6 -24.8 -44.1 51.5 122.9 244 245 A F T X4 S+ 0 0 0 -3,-2.2 3,-2.2 -4,-0.2 -1,-0.2 0.550 82.2 87.0-104.3 -12.6 -41.5 52.6 125.6 245 246 A T G X< S+ 0 0 67 -3,-0.6 3,-1.7 -4,-0.5 -1,-0.1 0.830 81.5 66.6 -65.3 -27.6 -43.4 54.9 128.0 246 247 A K G 3 S+ 0 0 135 -4,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.539 101.5 51.3 -66.3 -5.4 -44.5 51.9 130.0 247 248 A F G < S+ 0 0 31 -3,-2.2 -1,-0.3 1,-0.1 -215,-0.2 -0.004 79.2 99.7-120.4 27.2 -40.8 51.5 130.9 248 249 A E < + 0 0 34 -3,-1.7 -1,-0.1 -216,-0.1 2,-0.1 -0.106 45.5 153.0-108.3 35.4 -40.1 55.1 132.0 249 250 A Q - 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0 0 32 -3,-1.8 3,-1.8 -4,-0.3 -1,-0.1 0.008 43.2 -33.1 88.3 163.9 4.1 44.9 77.3 942 189 D K T 3 S+ 0 0 193 1,-0.3 -4,-0.0 2,-0.2 -3,-0.0 -0.189 129.1 19.7 -59.1 139.7 0.8 46.4 78.5 943 190 D G T 3 S+ 0 0 58 7,-0.0 8,-0.3 1,-0.0 -1,-0.3 0.430 121.0 64.2 81.4 -0.7 -0.0 45.8 82.2 944 191 D N S < S+ 0 0 59 -3,-1.8 3,-0.5 6,-0.2 6,-0.3 0.128 71.1 95.8-135.1 15.8 3.7 45.1 82.9 945 192 D D + 0 0 28 1,-0.2 -8,-0.1 5,-0.1 -7,-0.1 0.110 68.2 69.2-104.1 21.2 5.2 48.4 82.1 946 193 D L S S+ 0 0 37 1,-0.2 2,-0.3 -9,-0.1 -1,-0.2 0.420 100.7 43.2-117.6 -2.2 5.3 50.0 85.6 947 194 D L S > S- 0 0 14 -3,-0.5 3,-2.0 -10,-0.1 -1,-0.2 -0.990 83.0-122.7-136.2 145.9 8.0 47.7 87.1 948 195 D L T 3 S+ 0 0 1 -2,-0.3 -334,-0.6 1,-0.3 -333,-0.4 0.856 115.5 37.2 -55.1 -38.2 11.2 46.6 85.4 949 196 D M T 3 S- 0 0 27 5,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.188 120.6-108.9-101.1 17.4 10.3 42.9 85.8 950 197 D G X> - 0 0 4 -3,-2.0 3,-1.2 -6,-0.3 4,-0.6 -0.041 45.8 -53.4 86.6 174.2 6.6 43.4 85.2 951 198 D A T 34 S+ 0 0 57 -8,-0.3 3,-0.2 1,-0.3 -1,-0.2 0.803 138.3 36.4 -60.2 -32.4 3.5 43.3 87.3 952 199 D Q T 34 S+ 0 0 153 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.426 101.0 78.3-100.2 -0.8 4.2 39.8 88.6 953 200 D G T <4 S- 0 0 31 -3,-1.2 -2,-0.2 -4,-0.1 -1,-0.1 0.671 89.7-132.8 -87.4 -18.7 8.0 40.2 88.9 954 201 D G < - 0 0 28 -4,-0.6 -5,-0.4 -3,-0.2 2,-0.3 0.048 35.0 -52.0 87.2 162.5 8.2 42.2 92.1 955 202 D I - 0 0 17 -7,-0.1 2,-0.2 -8,-0.1 -8,-0.0 -0.553 56.7-162.6 -72.0 132.8 10.1 45.4 93.0 956 203 D T > - 0 0 0 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.708 35.9-106.1-108.7 166.9 13.9 45.2 92.3 957 204 D Y H > S+ 0 0 1 -99,-2.4 4,-2.3 -2,-0.2 5,-0.1 0.883 122.5 59.1 -55.3 -37.0 16.7 47.3 93.6 958 205 D S H > S+ 0 0 0 -100,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.895 103.8 48.4 -62.7 -39.0 16.7 48.9 90.1 959 206 D D H > S+ 0 0 1 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.923 110.2 53.2 -63.6 -42.2 13.1 50.0 90.5 960 207 D I H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.882 102.1 58.8 -59.3 -39.1 14.1 51.4 93.9 961 208 D Q H X S+ 0 0 4 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.922 110.4 42.4 -56.2 -45.4 16.9 53.4 92.2 962 209 D I H >X S+ 0 0 2 -4,-1.5 4,-1.3 1,-0.2 3,-0.9 0.935 113.0 52.2 -67.4 -47.5 14.4 55.2 90.0 963 210 D A H 3X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.829 102.2 61.4 -55.0 -35.2 11.9 55.7 92.9 964 211 D S H 3X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.802 100.2 53.8 -67.5 -28.1 14.7 57.2 94.9 965 212 D F H S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.5 0.908 113.4 51.9 -60.1 -45.9 12.4 65.5 94.3 970 217 D K H X5S+ 0 0 22 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.910 115.4 41.0 -58.2 -45.3 9.1 65.1 96.2 971 218 D I H <5S+ 0 0 28 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.912 118.1 44.7 -71.8 -43.8 10.6 65.8 99.6 972 219 D I H <5S+ 0 0 1 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.920 124.8 32.1 -71.1 -43.3 13.0 68.6 98.5 973 220 D W H <5S- 0 0 20 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.830 115.9-111.7 -80.4 -35.9 10.4 70.5 96.4 974 221 D G ><< - 0 0 26 -4,-1.8 3,-1.6 -5,-0.5 6,-0.4 0.165 14.4-107.3 104.7 134.5 7.4 69.6 98.4 975 222 D E T 3 S+ 0 0 136 1,-0.3 -1,-0.1 -4,-0.1 -4,-0.1 0.711 119.2 52.4 -67.5 -19.9 4.5 67.3 97.4 976 223 D G T 3 S+ 0 0 85 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.371 91.6 112.3 -94.6 5.5 2.1 70.3 97.0 977 224 D S S <> S- 0 0 28 -3,-1.6 4,-1.6 -7,-0.2 5,-0.1 -0.302 73.3-125.8 -86.1 162.2 4.5 72.2 94.8 978 225 D E H > S+ 0 0 180 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.878 108.9 53.7 -70.9 -40.1 4.3 73.1 91.1 979 226 D K H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 108.2 49.3 -65.0 -41.9 7.6 71.5 90.2 980 227 D W H > S+ 0 0 11 -6,-0.4 4,-2.3 2,-0.2 5,-0.2 0.936 110.6 50.8 -59.2 -46.5 6.7 68.1 91.7 981 228 D K H X S+ 0 0 144 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.893 109.6 51.4 -61.5 -37.7 3.4 68.2 89.8 982 229 D R H X S+ 0 0 98 -4,-2.1 4,-0.6 2,-0.2 3,-0.4 0.939 109.5 49.4 -62.1 -49.2 5.3 68.9 86.6 983 230 D L H >< S+ 0 0 5 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.946 114.8 41.7 -57.1 -54.8 7.7 66.0 87.1 984 231 D I H 3< S+ 0 0 32 -4,-2.3 8,-1.2 1,-0.3 -1,-0.2 0.601 107.1 63.7 -74.7 -9.5 5.1 63.3 87.8 985 232 D S H 3X S+ 0 0 63 -4,-0.9 4,-1.2 -3,-0.4 3,-0.5 0.606 77.8 116.8 -84.4 -14.0 2.8 64.6 85.1 986 233 D L T X<>S+ 0 0 23 -3,-1.3 5,-0.9 -4,-0.6 3,-0.6 -0.174 76.0 17.2 -57.6 146.5 5.3 63.8 82.5 987 234 D H G >45S- 0 0 46 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.916 138.1 -56.8 54.8 49.2 4.3 61.1 79.9 988 235 D D G 345S- 0 0 166 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.786 104.0 -53.0 55.3 35.3 0.6 61.5 80.7 989 236 D G G 5S+ 0 0 17 -3,-1.7 4,-2.3 -4,-0.5 3,-0.3 0.919 73.9 51.6 -52.4 -44.6 3.0 57.4 83.9 991 238 D W H > S+ 0 0 36 -8,-1.2 4,-1.5 -6,-0.3 -1,-0.3 0.880 111.2 45.7 -60.8 -37.1 2.8 59.3 89.1 993 240 D Q H X S+ 0 0 52 -4,-1.6 4,-0.7 -3,-0.3 -2,-0.2 0.875 113.3 48.2 -75.1 -36.7 1.7 55.7 88.6 994 241 D F H >< S+ 0 0 3 -4,-2.3 3,-1.1 1,-0.2 4,-0.2 0.972 115.3 44.2 -65.0 -49.0 5.2 54.3 88.8 995 242 D Y H >< S+ 0 0 10 -4,-3.0 3,-1.9 1,-0.2 4,-0.4 0.792 99.5 69.8 -69.9 -28.6 6.1 56.3 91.9 996 243 D A H >< S+ 0 0 44 -4,-1.5 3,-0.9 1,-0.3 4,-0.4 0.776 87.1 68.9 -60.1 -26.9 2.8 55.5 93.7 997 244 D Q T << S+ 0 0 62 -3,-1.1 -1,-0.3 -4,-0.7 3,-0.2 0.668 100.9 47.4 -63.4 -19.0 3.9 51.9 94.1 998 245 D F T X S+ 0 0 1 -3,-1.9 3,-2.5 -4,-0.2 -1,-0.2 0.539 81.7 91.1-102.5 -10.1 6.6 53.0 96.6 999 246 D T G X S+ 0 0 41 -3,-0.9 3,-0.9 -4,-0.4 -1,-0.1 0.777 81.0 61.9 -67.2 -22.7 4.6 55.3 98.9 1000 247 D K G 3 S+ 0 0 57 -4,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.586 101.3 55.6 -73.3 -8.1 3.8 52.4 101.2 1001 248 D F G < S+ 0 0 24 -3,-2.5 -1,-0.2 1,-0.2 -215,-0.2 -0.080 76.4 99.5-116.5 31.2 7.6 52.0 101.8 1002 249 D E < + 0 0 39 -3,-0.9 2,-0.2 -216,-0.1 -1,-0.2 -0.029 44.6 148.3-113.3 30.0 8.3 55.5 103.0 1003 250 D Q - 0 0 97 -3,-0.2 2,-0.5 -221,-0.1 -217,-0.1 -0.421 30.1-161.5 -62.4 131.4 8.3 54.8 106.8 1004 251 D V 0 0 70 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.0 -0.971 360.0 360.0-120.0 114.5 10.7 57.1 108.7 1005 252 D D 0 0 108 -2,-0.5 -1,-0.1 -213,-0.0 -2,-0.0 0.783 360.0 360.0 -55.2 360.0 11.5 55.7 112.1