==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAY-09 3HJM . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE P; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.J.PARKER . 832 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 619 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 4.8 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 . 8 1.0 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 . 28 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 392 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.8 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 3 4 0 4 4 0 4 4 0 0 0 4 0 0 0 0 0 0 0 3 1 0 4 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 8 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 . 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 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 P 0 0 37 0, 0.0 56,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -25.5 36.5 -3.9 15.9 2 3 A Y E +A 56 0A 9 24,-0.4 26,-2.6 54,-0.2 2,-0.4 -0.830 360.0 179.3 -99.3 133.9 34.3 -3.2 12.8 3 4 A T E -Ab 55 28A 22 52,-2.3 52,-2.2 -2,-0.4 2,-0.5 -0.994 13.2-157.7-129.3 128.4 35.6 -3.0 9.2 4 5 A V E -Ab 54 29A 1 24,-3.2 26,-3.5 -2,-0.4 2,-0.6 -0.925 8.4-164.9 -99.4 123.9 33.5 -2.3 6.1 5 6 A V E +Ab 53 30A 6 48,-3.1 48,-1.8 -2,-0.5 2,-0.3 -0.939 33.4 125.2-111.2 114.9 35.2 -3.5 2.9 6 7 A Y E - b 0 31A 20 24,-2.1 26,-2.6 -2,-0.6 -2,-0.0 -0.958 59.9 -79.6-156.4 169.7 33.5 -2.1 -0.2 7 8 A F - 0 0 56 -2,-0.3 2,-2.8 24,-0.2 26,-0.1 -0.320 64.1 -87.7 -66.3 161.9 33.7 -0.2 -3.5 8 9 A P S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.324 98.5 99.8 -69.8 64.6 33.9 3.7 -3.3 9 10 A V S S- 0 0 8 -2,-2.8 193,-0.2 1,-0.2 194,-0.1 -0.907 76.4-130.8-148.9 158.9 30.1 3.7 -3.3 10 11 A R >> + 0 0 39 191,-2.3 3,-2.1 -2,-0.3 4,-0.9 0.953 69.9 117.8 -74.7 -64.6 27.0 4.0 -1.1 11 12 A G G >4 S- 0 0 12 191,-2.7 3,-0.8 1,-0.3 4,-0.3 0.069 88.0 -8.6 45.1-133.9 25.3 1.0 -2.6 12 13 A R G 34 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.355 133.5 61.6 -77.6 4.9 24.5 -1.9 -0.4 13 14 A C G <> S+ 0 0 0 -3,-2.1 4,-1.9 2,-0.1 -1,-0.2 0.612 77.6 86.4-104.4 -13.1 26.6 -0.4 2.5 14 15 A A H S+ 0 0 5 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.899 112.3 47.5 -68.1 -40.2 22.0 1.3 5.4 16 17 A L H > S+ 0 0 2 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.866 112.8 51.3 -69.6 -31.3 24.5 -0.5 7.7 17 18 A R H X S+ 0 0 14 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.897 109.1 49.5 -70.2 -44.1 26.6 2.7 7.8 18 19 A M H X S+ 0 0 0 -4,-2.0 4,-3.1 -5,-0.2 -2,-0.2 0.923 112.3 49.4 -58.8 -47.4 23.5 4.8 8.8 19 20 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.940 113.0 45.4 -53.6 -53.6 22.8 2.2 11.5 20 21 A L H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 -2,-0.2 0.909 116.8 45.3 -62.7 -44.6 26.4 2.2 12.9 21 22 A A H ><5S+ 0 0 14 -4,-2.7 3,-1.8 3,-0.2 -2,-0.2 0.950 113.5 48.8 -60.6 -52.0 26.5 6.1 12.8 22 23 A D H 3<5S+ 0 0 14 -4,-3.1 165,-0.2 1,-0.3 -2,-0.2 0.818 111.3 51.3 -59.1 -34.9 23.0 6.5 14.4 23 24 A Q T 3<5S- 0 0 55 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.295 115.2-114.9 -87.6 8.8 24.0 4.0 17.1 24 25 A G T < 5 + 0 0 26 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.784 64.7 149.6 64.9 29.3 27.3 5.9 17.9 25 26 A Q < - 0 0 23 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.721 39.6-137.9 -94.6 143.2 29.5 3.0 16.8 26 27 A S + 0 0 46 -2,-0.3 -24,-0.4 416,-0.1 2,-0.3 -0.718 29.7 163.9 -94.7 149.1 32.9 3.5 15.3 27 28 A W - 0 0 49 -2,-0.3 2,-0.4 -26,-0.1 -24,-0.2 -0.975 31.9-116.9-152.7 170.4 34.1 1.5 12.3 28 29 A K E -b 3 0A 112 -26,-2.6 -24,-3.2 -2,-0.3 2,-0.5 -0.899 18.2-142.9-112.1 142.3 36.8 1.5 9.6 29 30 A E E -b 4 0A 55 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.2 -0.919 11.0-168.0-101.7 121.5 36.2 1.8 5.8 30 31 A E E -b 5 0A 75 -26,-3.5 -24,-2.1 -2,-0.5 2,-0.4 -0.951 15.8-149.3-108.5 113.9 38.4 -0.3 3.5 31 32 A V E -b 6 0A 96 -2,-0.6 2,-0.5 -26,-0.2 -24,-0.2 -0.684 8.1-160.8 -93.2 129.5 38.0 0.9 -0.1 32 33 A V - 0 0 8 -26,-2.6 2,-0.1 -2,-0.4 -2,-0.0 -0.930 13.2-146.2-106.2 121.1 38.4 -1.5 -3.0 33 34 A T > - 0 0 57 -2,-0.5 4,-2.4 -26,-0.1 5,-0.1 -0.427 26.4-111.8 -80.1 161.1 39.1 0.1 -6.4 34 35 A V H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.871 120.6 54.5 -53.8 -40.4 37.8 -1.3 -9.7 35 36 A E H > S+ 0 0 130 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.908 108.4 45.7 -59.9 -52.3 41.4 -2.1 -10.6 36 37 A T H > S+ 0 0 71 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.907 115.4 50.0 -55.9 -42.7 42.0 -4.1 -7.4 37 38 A W H >< S+ 0 0 44 -4,-2.4 3,-0.5 1,-0.2 6,-0.3 0.878 109.6 48.6 -66.9 -41.6 38.6 -5.8 -8.1 38 39 A Q H 3< S+ 0 0 154 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.600 95.5 71.2 -75.3 -16.4 39.5 -6.7 -11.7 39 40 A E H 3< S- 0 0 130 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.839 97.9-146.0 -69.1 -34.4 42.8 -8.1 -10.8 40 41 A G S+ 0 0 73 -5,-0.3 4,-1.0 2,-0.2 5,-0.1 0.886 84.9 46.3 -79.3 -39.7 42.4 -12.2 -6.1 42 43 A L H >> S+ 0 0 38 -6,-0.4 4,-0.8 2,-0.2 3,-0.8 0.945 113.3 51.9 -58.4 -51.7 40.3 -10.5 -3.4 43 44 A K H >4 S+ 0 0 92 -6,-0.3 3,-0.9 1,-0.2 6,-0.3 0.884 106.3 55.1 -47.9 -46.3 37.1 -11.5 -5.4 44 45 A A H 3< S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.788 107.1 50.4 -58.6 -31.5 38.5 -15.2 -5.4 45 46 A S H << S+ 0 0 70 -4,-1.0 2,-0.4 -3,-0.8 -1,-0.2 0.585 88.5 100.1 -85.6 -12.6 38.8 -15.0 -1.6 46 47 A C S X< S- 0 0 6 -3,-0.9 3,-1.8 -4,-0.8 5,-0.1 -0.638 79.3-128.2 -76.0 130.5 35.2 -13.7 -1.1 47 48 A L T 3 S+ 0 0 35 -2,-0.4 -1,-0.1 1,-0.3 292,-0.1 0.885 107.5 16.2 -40.3 -57.6 32.8 -16.5 -0.1 48 49 A Y T 3 S- 0 0 39 2,-0.2 -1,-0.3 288,-0.1 3,-0.1 0.069 115.2-104.5-108.3 19.8 30.3 -15.8 -2.9 49 50 A G S < S+ 0 0 14 -3,-1.8 2,-0.3 -6,-0.3 -2,-0.1 0.740 86.4 102.7 62.1 27.9 32.7 -13.6 -5.0 50 51 A Q - 0 0 100 2,-0.1 -2,-0.2 -7,-0.1 -1,-0.2 -0.931 60.8 -99.3-135.7 159.8 31.1 -10.3 -3.9 51 52 A L S S+ 0 0 15 -2,-0.3 2,-0.1 -3,-0.1 13,-0.1 -0.761 73.9 81.3-104.0 159.9 31.5 -7.3 -1.6 52 53 A P - 0 0 4 0, 0.0 11,-0.6 0, 0.0 2,-0.4 0.410 55.3-178.7 -64.4 146.7 30.6 -6.0 1.0 53 54 A K E -AC 5 62A 37 -48,-1.8 -48,-3.1 9,-0.2 2,-0.4 -0.934 8.0-165.1-109.8 139.2 32.9 -7.9 3.3 54 55 A F E -AC 4 61A 1 7,-2.5 7,-3.1 -2,-0.4 2,-0.5 -0.997 7.1-159.7-134.3 137.3 32.5 -7.0 6.9 55 56 A Q E +AC 3 60A 55 -52,-2.2 -52,-2.3 -2,-0.4 2,-0.5 -0.964 12.4 178.8-122.3 129.4 34.8 -7.8 9.9 56 57 A D E > S-AC 2 59A 27 3,-2.6 3,-2.2 -2,-0.5 -54,-0.2 -0.891 74.6 -58.9-126.8 95.7 33.8 -7.9 13.5 57 58 A G T 3 S- 0 0 18 -56,-2.5 -1,-0.1 -2,-0.5 -54,-0.1 -0.457 122.1 -18.5 55.7-130.3 37.0 -8.8 15.3 58 59 A D T 3 S+ 0 0 65 -3,-0.1 2,-0.6 -2,-0.1 -1,-0.3 0.441 115.0 106.6 -86.9 3.4 37.8 -12.2 13.7 59 60 A L E < -C 56 0A 11 -3,-2.2 -3,-2.6 649,-0.0 2,-0.5 -0.729 54.3-163.2 -82.9 120.2 34.3 -12.8 12.4 60 61 A T E -C 55 0A 53 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.938 10.3-175.4-108.5 129.1 34.2 -12.3 8.6 61 62 A L E -C 54 0A 0 -7,-3.1 -7,-2.5 -2,-0.5 2,-0.3 -0.892 12.8-172.8-125.9 150.2 30.8 -11.8 7.0 62 63 A Y E +C 53 0A 23 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.843 52.7 64.7-131.5 166.0 29.5 -11.5 3.5 63 64 A Q S >> S- 0 0 26 -11,-0.6 4,-1.9 -2,-0.3 3,-0.9 0.806 72.2-125.3 79.8 108.0 25.9 -10.6 2.3 64 65 A S H 3> S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.834 110.6 51.0 -50.6 -37.1 24.7 -7.0 3.2 65 66 A N H 3> S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.774 105.4 55.9 -76.7 -25.9 21.5 -8.4 4.9 66 67 A T H <> S+ 0 0 0 -3,-0.9 4,-2.8 2,-0.2 -2,-0.2 0.931 108.9 48.0 -60.5 -51.0 23.6 -10.8 7.0 67 68 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.935 111.9 49.6 -56.3 -47.3 25.6 -7.8 8.2 68 69 A L H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.925 112.9 46.0 -57.6 -47.2 22.3 -5.9 8.9 69 70 A R H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.877 111.4 53.1 -65.4 -39.4 20.9 -8.9 10.9 70 71 A H H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.941 113.0 42.2 -61.6 -48.7 24.2 -9.3 12.8 71 72 A L H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 6,-0.3 0.913 113.1 55.0 -66.2 -38.1 24.2 -5.6 13.9 72 73 A G H X>S+ 0 0 0 -4,-2.7 5,-2.8 -5,-0.3 4,-0.9 0.958 112.4 42.8 -54.5 -53.1 20.5 -5.8 14.6 73 74 A R H ><5S+ 0 0 47 -4,-2.7 3,-0.9 3,-0.2 -2,-0.2 0.969 119.4 42.0 -57.5 -55.3 21.0 -8.8 16.9 74 75 A T H 3<5S+ 0 0 20 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.872 120.8 40.7 -66.7 -35.7 24.1 -7.4 18.6 75 76 A L H 3<5S- 0 0 26 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.388 112.7-109.6 -98.6 4.6 22.9 -3.8 19.0 76 77 A G T <<5S+ 0 0 53 -4,-0.9 -3,-0.2 -3,-0.9 3,-0.2 0.877 77.0 130.4 70.3 43.9 19.3 -4.6 20.0 77 78 A L < + 0 0 6 -5,-2.8 72,-2.3 -6,-0.3 73,-0.2 -0.469 42.9 90.2-121.3 54.0 17.6 -3.4 16.8 78 79 A Y S S- 0 0 21 1,-0.5 -1,-0.1 70,-0.2 10,-0.1 -0.082 96.0 -83.6-146.6 32.9 15.5 -6.5 16.1 79 80 A G - 0 0 35 68,-0.3 -1,-0.5 -3,-0.2 65,-0.1 -0.027 44.5 -84.5 82.1 170.8 12.1 -5.9 17.8 80 81 A K S S+ 0 0 159 -3,-0.1 2,-0.2 66,-0.1 -1,-0.1 0.675 101.8 0.3 -90.5 -19.1 11.0 -6.4 21.4 81 82 A D S > S- 0 0 79 -3,-0.1 4,-2.2 1,-0.0 5,-0.1 -0.844 90.7 -77.1-155.2-176.3 10.1 -10.1 21.2 82 83 A Q H > S+ 0 0 98 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.844 124.9 52.5 -66.5 -34.5 10.0 -13.1 18.7 83 84 A Q H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 111.1 46.6 -67.0 -41.4 6.8 -11.9 16.9 84 85 A E H > S+ 0 0 30 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.908 108.2 57.2 -65.4 -40.1 8.3 -8.4 16.3 85 86 A A H X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.894 106.3 49.6 -55.8 -41.9 11.5 -10.0 15.1 86 87 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.920 111.4 48.1 -62.6 -44.4 9.5 -11.9 12.5 87 88 A L H X S+ 0 0 55 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.904 108.4 55.1 -63.0 -42.3 7.8 -8.7 11.3 88 89 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.936 110.2 46.1 -54.6 -48.1 11.2 -7.0 11.2 89 90 A D H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.882 108.4 56.3 -61.3 -41.0 12.5 -9.8 8.8 90 91 A M H X S+ 0 0 10 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.926 110.0 45.0 -59.7 -44.4 9.3 -9.6 6.7 91 92 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.938 113.4 49.8 -61.4 -48.7 10.0 -5.8 6.1 92 93 A N H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.882 109.7 49.8 -60.8 -45.6 13.7 -6.3 5.4 93 94 A D H X S+ 0 0 15 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.866 111.9 49.7 -56.1 -41.6 13.0 -9.1 2.9 94 95 A G H X S+ 0 0 4 -4,-1.7 4,-1.7 -5,-0.3 -2,-0.2 0.926 111.4 48.5 -64.5 -44.8 10.5 -6.8 1.2 95 96 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.954 109.0 53.8 -57.3 -51.8 13.1 -4.0 1.1 96 97 A E H X S+ 0 0 27 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.881 106.0 54.0 -48.7 -47.0 15.7 -6.4 -0.3 97 98 A D H X S+ 0 0 51 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.905 110.6 43.4 -56.8 -46.8 13.3 -7.4 -3.2 98 99 A L H X S+ 0 0 3 -4,-1.7 4,-2.7 -3,-0.2 -1,-0.2 0.869 111.5 56.2 -69.5 -33.7 12.7 -3.8 -4.3 99 100 A R H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.912 104.3 53.0 -61.1 -43.0 16.4 -3.1 -4.0 100 101 A C H X S+ 0 0 54 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.878 111.3 46.0 -57.8 -40.7 17.2 -6.0 -6.4 101 102 A K H X S+ 0 0 99 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.933 111.7 52.3 -65.6 -45.8 14.8 -4.5 -8.9 102 103 A Y H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.897 111.3 46.0 -56.1 -45.1 16.4 -1.0 -8.3 103 104 A I H X S+ 0 0 52 -4,-2.7 4,-3.0 2,-0.2 5,-0.4 0.899 109.1 55.4 -65.1 -44.2 19.9 -2.4 -8.9 104 105 A S H X>S+ 0 0 60 -4,-2.2 4,-2.6 -5,-0.2 5,-0.8 0.925 109.9 46.1 -54.2 -50.0 18.8 -4.3 -12.1 105 106 A L H X5S+ 0 0 10 -4,-2.2 4,-1.4 3,-0.2 5,-0.2 0.951 115.0 47.0 -52.7 -54.4 17.5 -1.1 -13.6 106 107 A I H <5S+ 0 0 3 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.901 123.4 31.9 -58.8 -45.1 20.6 0.9 -12.6 107 108 A V H <5S+ 0 0 95 -4,-3.0 -2,-0.2 -5,-0.1 -3,-0.2 0.911 133.5 19.7 -81.9 -49.2 23.1 -1.7 -14.0 108 109 A T H <5S+ 0 0 103 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.688 133.8 14.3-101.9 -23.2 21.3 -3.4 -16.9 109 110 A N X< + 0 0 76 -4,-1.4 4,-2.2 -5,-0.8 5,-0.4 0.020 65.9 137.8-149.7 34.7 18.6 -1.1 -18.1 110 111 A Y H > S+ 0 0 42 -4,-0.4 4,-1.8 -5,-0.2 5,-0.1 0.940 79.0 37.6 -56.9 -56.5 18.7 2.5 -16.9 111 112 A E H 4 S+ 0 0 137 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.939 127.2 32.2 -65.9 -53.9 17.8 4.5 -20.1 112 113 A A H 4 S+ 0 0 80 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.845 125.6 42.3 -69.1 -38.7 15.2 2.2 -21.7 113 114 A G H X S+ 0 0 8 -4,-2.2 4,-2.1 -8,-0.2 -2,-0.2 0.665 88.6 85.1 -87.2 -19.0 13.7 0.8 -18.4 114 115 A K H X S+ 0 0 62 -4,-1.8 4,-2.9 -5,-0.4 5,-0.2 0.872 88.1 52.7 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120.1 63.4 -59.5 -31.2 46.5 -3.4 27.0 568 151 C A H 3> S+ 0 0 0 -73,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.809 96.7 58.8 -64.4 -31.2 49.4 -3.8 29.4 569 152 C D H <> S+ 0 0 0 -3,-0.9 4,-3.4 2,-0.2 -1,-0.2 0.929 106.0 46.7 -60.0 -48.2 50.1 0.0 29.0 570 153 C Y H X S+ 0 0 0 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.913 115.4 45.9 -63.9 -42.1 46.7 1.0 30.2 571 154 C N H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.925 114.4 47.2 -68.0 -46.5 46.9 -1.4 33.1 572 155 C L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.958 110.8 53.4 -58.0 -50.1 50.4 -0.2 34.0 573 156 C L H X S+ 0 0 0 -4,-3.4 4,-3.0 1,-0.2 -2,-0.2 0.928 109.7 47.4 -48.8 -50.2 49.3 3.5 33.7 574 157 C D H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.943 110.8 51.5 -57.9 -49.5 46.4 2.9 36.1 575 158 C L H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.875 113.3 45.4 -52.4 -46.0 48.7 1.2 38.6 576 159 C L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.939 110.3 53.4 -64.8 -49.5 51.2 4.1 38.5 577 160 C L H X S+ 0 0 39 -4,-3.0 4,-1.2 -5,-0.2 -2,-0.2 0.901 111.9 45.4 -51.1 -46.3 48.4 6.8 38.7 578 161 C I H X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.795 111.1 52.0 -72.0 -31.5 47.0 5.1 41.9 579 162 C H H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.2 7,-0.2 0.771 104.2 57.9 -73.1 -28.2 50.5 4.7 43.5 580 163 C E H < S+ 0 0 60 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.833 109.6 44.8 -69.1 -31.6 51.1 8.3 42.9 581 164 C V H < S+ 0 0 62 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.862 115.9 47.2 -73.2 -40.0 48.0 9.1 45.0 582 165 C L H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.871 133.4 13.7 -67.1 -39.0 49.1 6.5 47.7 583 166 C A S >< S- 0 0 13 -4,-2.4 3,-2.0 -5,-0.1 -1,-0.3 -0.676 82.9-144.6-146.1 81.9 52.7 7.8 47.8 584 167 C P T 3 S+ 0 0 107 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.138 85.9 19.9 -47.2 133.6 53.2 11.2 46.1 585 168 C G T > S+ 0 0 29 -5,-0.1 3,-2.9 1,-0.1 4,-0.4 0.333 79.2 128.8 85.3 -7.1 56.6 11.5 44.4 586 169 C C G X S+ 0 0 24 -3,-2.0 3,-0.5 1,-0.3 -6,-0.1 0.732 73.5 54.5 -54.6 -24.1 57.2 7.7 44.2 587 170 C L G > S+ 0 0 0 1,-0.2 3,-1.5 2,-0.1 7,-0.5 0.496 82.5 86.7 -90.2 -4.6 58.0 8.1 40.5 588 171 C D G < S+ 0 0 137 -3,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.800 88.2 53.5 -60.5 -29.5 60.7 10.8 41.2 589 172 C A G < S+ 0 0 72 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.513 108.2 58.1 -77.9 -5.9 63.2 7.9 41.6 590 173 C F <> + 0 0 16 -3,-1.5 4,-2.4 1,-0.1 -1,-0.2 -0.726 59.6 176.4-133.5 83.4 62.0 6.7 38.2 591 174 C P H > S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.806 82.5 50.0 -62.8 -33.9 62.5 9.1 35.3 592 175 C L H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.938 112.5 47.2 -74.0 -40.7 61.3 6.8 32.5 593 176 C L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 112.3 50.7 -64.8 -42.8 58.1 5.9 34.4 594 177 C S H X S+ 0 0 43 -4,-2.4 4,-1.8 -7,-0.5 -2,-0.2 0.960 113.3 44.2 -53.7 -55.6 57.4 9.6 35.2 595 178 C A H X S+ 0 0 54 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.846 112.2 53.9 -60.8 -36.4 57.8 10.7 31.6 596 179 C Y H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.902 107.1 50.7 -63.3 -46.8 55.7 7.7 30.5 597 180 C V H X S+ 0 0 16 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.868 114.7 43.4 -60.0 -42.0 52.8 8.6 32.8 598 181 C G H X S+ 0 0 42 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.920 114.3 50.1 -71.5 -45.5 52.7 12.2 31.5 599 182 C R H < S+ 0 0 84 -4,-2.7 4,-0.3 2,-0.2 3,-0.3 0.918 116.2 39.9 -56.7 -52.4 53.1 11.1 27.8 600 183 C L H >< S+ 0 0 3 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.883 111.9 56.8 -67.4 -42.6 50.3 8.5 27.9 601 184 C S H 3< S+ 0 0 29 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.742 101.6 60.4 -55.1 -26.7 48.0 10.8 30.0 602 185 C A T 3< S+ 0 0 58 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.602 70.9 119.7 -81.3 -13.5 48.4 13.4 27.3 603 186 C R S <> S- 0 0 71 -3,-1.4 4,-3.5 -4,-0.3 3,-0.4 -0.369 72.7-125.7 -54.2 121.2 46.9 11.2 24.6 604 187 C P H > S+ 0 0 109 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.823 103.4 39.1 -49.0 -52.8 43.8 13.4 23.5 605 188 C K H > S+ 0 0 121 -165,-0.2 4,-2.1 2,-0.2 5,-0.1 0.882 120.7 47.1 -62.0 -38.5 40.9 10.8 24.0 606 189 C L H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.896 110.5 51.1 -73.2 -41.7 42.5 9.5 27.2 607 190 C K H X S+ 0 0 134 -4,-3.5 4,-1.6 2,-0.2 -2,-0.2 0.955 111.3 48.5 -59.1 -50.1 43.2 13.0 28.6 608 191 C A H X S+ 0 0 65 -4,-2.6 4,-0.9 -5,-0.3 -2,-0.2 0.914 112.8 48.6 -55.8 -43.5 39.6 14.0 28.0 609 192 C F H >< S+ 0 0 16 -4,-2.1 3,-0.8 1,-0.2 6,-0.5 0.926 109.7 50.6 -64.5 -44.6 38.4 10.8 29.7 610 193 C L H 3< S+ 0 0 27 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.764 113.5 46.9 -63.5 -26.4 40.6 11.2 32.7 611 194 C A H 3< S+ 0 0 75 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.598 94.8 102.3 -87.7 -14.2 39.3 14.8 33.1 612 195 C S S XX S- 0 0 27 -4,-0.9 4,-2.7 -3,-0.8 3,-0.8 -0.311 81.5-118.2 -77.7 150.5 35.6 13.8 32.7 613 196 C P H 3> S+ 0 0 92 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.855 111.2 66.0 -50.7 -37.0 33.0 13.4 35.5 614 197 C E H 34 S+ 0 0 105 1,-0.2 -4,-0.1 2,-0.2 -5,-0.1 0.863 116.9 26.1 -61.3 -32.2 32.6 9.7 34.7 615 198 C Y H X4 S+ 0 0 25 -3,-0.8 3,-1.5 -6,-0.5 -1,-0.2 0.908 123.9 48.1 -84.6 -58.3 36.2 9.1 35.8 616 199 C V H 3< S+ 0 0 71 -4,-2.7 -2,-0.2 -7,-0.3 -4,-0.1 0.882 106.1 57.6 -56.4 -41.6 36.8 11.9 38.2 617 200 C N T 3< S+ 0 0 125 -4,-2.4 -1,-0.3 -5,-0.3 -3,-0.1 0.466 91.2 84.6 -78.6 2.1 33.6 11.4 40.3 618 201 C L S < S- 0 0 41 -3,-1.5 -191,-0.2 -5,-0.2 2,-0.1 -0.843 79.9-123.2 -95.5 138.9 34.4 7.8 41.1 619 202 C P - 0 0 57 0, 0.0 -191,-2.3 0, 0.0 -190,-0.2 -0.469 18.4-126.0 -70.0 153.6 36.6 6.9 44.2 620 203 C I S S+ 0 0 7 -193,-0.2 -191,-2.4 -192,-0.2 2,-0.3 0.945 92.5 25.1 -62.7 -45.6 39.6 4.7 43.4 621 204 C N S > S- 0 0 19 4,-0.4 3,-1.0 -193,-0.1 -1,-0.1 -0.773 77.0-120.6-123.5 156.8 38.5 2.1 46.0 622 205 C G T 3 S+ 0 0 72 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.720 109.5 53.2 -69.9 -23.2 35.2 1.0 47.6 623 206 C N T 3 S- 0 0 69 2,-0.2 -1,-0.2 1,-0.0 3,-0.1 0.285 109.0-117.2 -99.3 8.4 36.3 1.8 51.2 624 207 C G S < S+ 0 0 59 -3,-1.0 2,-0.1 1,-0.3 -4,-0.1 0.298 76.1 122.4 76.5 -11.5 37.4 5.4 50.5 625 208 C K 0 0 70 -101,-0.1 -4,-0.4 -6,-0.1 -1,-0.3 -0.460 360.0 360.0 -74.6 156.5 41.0 4.8 51.4 626 209 C Q 0 0 95 -2,-0.1 -47,-0.1 -3,-0.1 -48,-0.0 -0.955 360.0 360.0-176.5 360.0 43.7 5.5 48.7 627 !* 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 0.0 628 2 D P 0 0 121 0, 0.0 56,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.5 64.7 -24.5 21.9 629 3 D Y E +jK 654 683D 33 24,-0.6 26,-3.1 54,-0.2 2,-0.4 -0.764 360.0 175.1-108.9 139.6 63.3 -24.7 25.5 630 4 D T E -jK 655 682D 34 52,-2.0 52,-2.3 -2,-0.4 2,-0.6 -0.996 12.2-160.7-135.8 128.5 64.7 -24.3 29.0 631 5 D V E -jK 656 681D 1 24,-2.5 26,-3.4 -2,-0.4 2,-0.6 -0.938 6.8-166.2-103.7 118.7 62.8 -24.3 32.3 632 6 D V E +jK 657 680D 17 48,-2.7 48,-1.5 -2,-0.6 2,-0.3 -0.928 34.8 123.8-104.9 114.7 64.7 -22.8 35.3 633 7 D Y E -j 658 0D 21 24,-2.0 26,-2.6 -2,-0.6 -2,-0.0 -0.962 61.8 -79.9-158.2 168.8 63.1 -23.7 38.6 634 8 D F - 0 0 54 -2,-0.3 2,-2.3 24,-0.2 26,-0.1 -0.298 60.5 -91.7 -66.4 163.6 63.5 -25.2 42.0 635 9 D P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.379 96.3 100.2 -80.0 61.7 63.4 -29.1 42.2 636 10 D V S S- 0 0 14 -2,-2.3 193,-0.2 1,-0.2 194,-0.1 -0.888 76.8-128.0-134.8 163.4 59.6 -28.9 42.8 637 11 D R S >> S+ 0 0 36 191,-2.5 3,-1.9 -2,-0.3 4,-0.6 0.968 71.1 117.7 -70.2 -70.7 56.4 -29.5 40.7 638 12 D G G >4 S- 0 0 13 191,-2.5 3,-0.8 1,-0.3 4,-0.4 -0.070 86.0 -7.3 56.3-133.3 54.9 -26.1 41.8 639 13 D R G 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.283 134.4 58.0 -82.2 4.0 54.3 -23.5 39.1 640 14 D C G <> S+ 0 0 0 -3,-1.9 4,-1.9 2,-0.1 5,-0.2 0.499 80.2 86.6-110.1 -5.9 56.0 -25.5 36.5 641 15 D A H S+ 0 0 4 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.919 114.3 48.4 -53.4 -47.8 51.2 -27.5 34.2 643 17 D L H > S+ 0 0 2 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.798 110.8 49.6 -69.6 -30.1 53.7 -26.2 31.6 644 18 D R H X S+ 0 0 13 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.914 109.1 53.1 -68.1 -47.3 55.8 -29.4 31.7 645 19 D M H X S+ 0 0 0 -4,-2.3 4,-3.2 -5,-0.2 -2,-0.2 0.900 110.6 49.1 -50.6 -44.2 52.7 -31.5 31.2 646 20 D L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.905 112.4 44.4 -64.5 -51.2 51.9 -29.3 28.2 647 21 D L H <>S+ 0 0 0 -4,-1.9 5,-3.0 2,-0.2 4,-0.2 0.921 116.4 48.3 -61.2 -42.2 55.4 -29.7 26.7 648 22 D A H ><5S+ 0 0 15 -4,-3.3 3,-1.8 1,-0.2 -2,-0.2 0.969 113.2 46.3 -62.2 -52.5 55.4 -33.4 27.4 649 23 D D H 3<5S+ 0 0 11 -4,-3.2 -1,-0.2 1,-0.3 165,-0.2 0.794 110.8 53.3 -61.2 -30.1 51.9 -33.9 25.9 650 24 D Q T 3<5S- 0 0 51 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.373 115.2-114.9 -89.7 3.6 52.7 -31.9 22.8 651 25 D G T < 5 + 0 0 46 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.801 66.0 147.6 68.0 31.0 55.8 -34.0 22.1 652 26 D Q < - 0 0 66 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.719 39.9-138.5 -92.7 147.7 58.2 -31.1 22.8 653 27 D S + 0 0 104 -2,-0.3 -24,-0.6 2,-0.0 2,-0.3 -0.817 25.3 174.1-100.9 150.7 61.7 -31.5 24.2 654 28 D W E -j 629 0D 50 -2,-0.3 2,-0.4 -26,-0.1 -24,-0.2 -0.992 29.5-121.2-148.5 156.0 63.2 -29.2 26.8 655 29 D K E -j 630 0D 120 -26,-3.1 -24,-2.5 -2,-0.3 2,-0.5 -0.797 23.5-146.1 -92.9 139.6 66.2 -28.7 29.1 656 30 D E E -j 631 0D 50 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.2 -0.924 7.1-164.9 -97.6 130.3 65.7 -28.4 32.9 657 31 D E E -j 632 0D 91 -26,-3.4 -24,-2.0 -2,-0.5 2,-0.4 -0.952 15.9-150.5-110.9 110.4 68.0 -26.2 34.9 658 32 D V E -j 633 0D 89 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.2 -0.667 3.7-153.1 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772 146 D D T 3 S+ 0 0 63 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.177 108.0 70.3-126.4 25.3 36.9 -29.1 21.5 773 147 D Q S < S- 0 0 141 -3,-0.6 -3,-0.3 -6,-0.0 -67,-0.1 -0.946 90.6 -94.2-127.4 153.8 40.7 -29.0 21.3 774 148 D I - 0 0 13 -2,-0.3 -68,-0.3 -6,-0.1 2,-0.3 -0.390 43.6-170.6 -63.5 140.0 43.2 -28.9 24.2 775 149 D S >> - 0 0 0 -70,-0.1 4,-0.9 -4,-0.1 3,-0.9 -0.813 40.0-101.5-122.4 169.4 44.3 -25.5 25.4 776 150 D F H 3> S+ 0 0 0 -72,-2.6 4,-1.6 -2,-0.3 3,-0.2 0.821 120.2 64.3 -61.8 -29.6 47.0 -24.3 27.8 777 151 D A H 3> S+ 0 0 0 -73,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.790 94.7 59.6 -64.5 -32.1 44.2 -23.8 30.4 778 152 D D H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.903 104.4 48.3 -57.9 -49.1 43.4 -27.5 30.4 779 153 D Y H X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.901 114.7 46.9 -62.2 -38.8 47.0 -28.4 31.6 780 154 D N H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.926 113.9 45.0 -69.0 -46.1 46.8 -25.9 34.3 781 155 D L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.897 111.2 55.3 -65.1 -41.9 43.3 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45.2 -32.3 49.7 792 166 D A S >< S- 0 0 14 -4,-3.1 3,-1.7 -5,-0.1 -1,-0.3 -0.640 84.1-146.0-136.0 78.7 41.6 -33.4 50.0 793 167 D P T 3 S+ 0 0 106 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.146 86.8 19.7 -45.7 128.2 41.1 -37.1 48.8 794 168 D G T > S+ 0 0 26 -5,-0.1 3,-1.1 3,-0.0 4,-0.4 0.583 78.4 132.4 81.4 13.7 37.6 -37.4 47.2 795 169 D C T < S+ 0 0 22 -3,-1.7 3,-0.2 1,-0.2 -43,-0.1 0.698 77.0 47.4 -66.6 -16.8 37.1 -33.6 46.6 796 170 D L T > S+ 0 0 3 1,-0.1 3,-1.4 -4,-0.1 7,-0.4 0.387 82.5 92.3-104.9 -1.1 36.0 -34.5 43.0 797 171 D D T < S+ 0 0 122 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.832 86.4 53.0 -66.4 -32.0 33.6 -37.3 43.9 798 172 D A T 3 S+ 0 0 83 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.577 104.4 65.3 -70.1 -11.4 30.7 -34.8 44.0 799 173 D F <> + 0 0 17 -3,-1.4 4,-2.8 1,-0.2 5,-0.2 -0.777 58.9 179.6-121.5 86.9 31.7 -33.5 40.5 800 174 D P H > S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.832 81.9 48.5 -66.2 -34.0 31.3 -36.2 37.8 801 175 D L H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.934 115.1 44.9 -67.1 -45.5 32.5 -34.1 34.8 802 176 D L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.889 113.2 52.2 -62.2 -43.0 35.6 -32.9 36.6 803 177 D S H X S+ 0 0 56 -4,-2.8 4,-1.6 -7,-0.4 -2,-0.2 0.944 114.0 42.2 -58.8 -50.4 36.2 -36.5 37.9 804 178 D A H X S+ 0 0 52 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.759 110.6 57.2 -66.7 -28.5 36.0 -37.9 34.3 805 179 D Y H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.896 105.6 49.6 -72.6 -44.1 38.0 -35.0 32.8 806 180 D V H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.934 114.0 45.6 -58.6 -46.8 41.0 -35.8 35.0 807 181 D G H X S+ 0 0 46 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.887 115.4 47.8 -65.2 -41.4 40.9 -39.5 34.1 808 182 D R H >< S+ 0 0 87 -4,-2.2 3,-0.5 2,-0.2 4,-0.4 0.921 115.5 41.4 -66.9 -51.4 40.5 -38.7 30.4 809 183 D L H >< S+ 0 0 1 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.878 110.5 58.9 -67.0 -34.8 43.3 -36.2 30.1 810 184 D S H 3< S+ 0 0 29 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.760 102.1 55.7 -64.6 -23.1 45.6 -38.3 32.3 811 185 D A T << + 0 0 58 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.521 69.7 121.8 -88.1 -12.0 45.3 -41.2 29.9 812 186 D R S X> S- 0 0 70 -3,-1.2 4,-3.0 -4,-0.4 3,-0.6 -0.401 74.2-123.3 -51.7 120.7 46.5 -39.2 26.8 813 187 D P H 3> S+ 0 0 109 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.820 104.4 42.0 -46.9 -51.4 49.5 -41.4 25.9 814 188 D K H 3> S+ 0 0 123 -165,-0.2 4,-1.6 2,-0.2 -164,-0.1 0.849 119.7 46.5 -64.8 -34.0 52.4 -38.9 26.0 815 189 D L H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.896 109.3 52.8 -74.6 -46.8 50.9 -37.3 29.2 816 190 D K H X S+ 0 0 132 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.898 109.8 49.1 -49.4 -50.9 50.3 -40.6 30.9 817 191 D A H X S+ 0 0 65 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.902 112.4 49.4 -59.1 -40.8 54.0 -41.6 30.3 818 192 D F H >< S+ 0 0 17 -4,-1.6 3,-0.7 1,-0.2 6,-0.4 0.925 109.9 48.7 -66.1 -44.1 55.1 -38.3 31.7 819 193 D L H 3< S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.762 113.8 47.3 -68.1 -27.2 53.0 -38.5 34.8 820 194 D A H 3< S+ 0 0 78 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.566 93.9 102.8 -83.6 -15.8 54.3 -42.0 35.5 821 195 D S S XX S- 0 0 26 -4,-0.8 4,-2.8 -3,-0.7 3,-1.4 -0.387 80.0-123.5 -74.4 145.5 57.9 -41.0 34.9 822 196 D P H 3> S+ 0 0 87 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.798 108.2 68.5 -58.3 -27.3 60.4 -40.4 37.9 823 197 D E H 34 S+ 0 0 103 1,-0.2 -4,-0.1 2,-0.2 -5,-0.1 0.808 116.2 26.3 -66.7 -25.1 61.1 -36.8 36.7 824 198 D Y H X4 S+ 0 0 23 -3,-1.4 3,-1.2 -6,-0.4 -1,-0.2 0.850 125.5 47.0 -91.6 -53.5 57.5 -36.0 37.7 825 199 D V H 3< S+ 0 0 70 -4,-2.8 -2,-0.2 -7,-0.3 -6,-0.1 0.815 110.2 51.7 -63.5 -37.3 56.9 -38.6 40.4 826 200 D N T 3< S+ 0 0 124 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.1 0.278 92.6 88.6 -91.8 9.5 60.1 -38.1 42.3 827 201 D L S < S- 0 0 41 -3,-1.2 -191,-0.2 -5,-0.1 2,-0.1 -0.845 81.9-119.1 -95.4 142.6 59.7 -34.3 42.6 828 202 D P - 0 0 61 0, 0.0 -191,-2.5 0, 0.0 -190,-0.2 -0.496 15.4-128.0 -72.7 153.9 57.7 -32.9 45.6 829 203 D I S S+ 0 0 6 -193,-0.2 -191,-2.5 -192,-0.2 -192,-0.2 0.980 90.5 17.2 -62.6 -52.9 54.5 -30.9 44.8 830 204 D N S > S- 0 0 18 4,-0.5 3,-0.8 -193,-0.2 -193,-0.1 -0.655 79.4-113.1-118.8 168.4 55.7 -28.0 47.0 831 205 D G T 3 S+ 0 0 69 1,-0.2 -1,-0.0 -2,-0.2 -2,-0.0 0.800 109.7 53.0 -72.3 -33.7 59.0 -26.7 48.5 832 206 D N T 3 S- 0 0 71 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.207 111.6-113.0 -92.0 12.7 58.2 -27.2 52.2 833 207 D G S < S+ 0 0 63 -3,-0.8 2,-0.2 1,-0.2 -2,-0.1 0.517 75.2 130.7 66.2 7.3 57.2 -30.9 51.7 834 208 D K 0 0 94 1,-0.1 -4,-0.5 -101,-0.1 -1,-0.2 -0.615 360.0 360.0 -90.0 155.4 53.6 -30.2 52.6 835 209 D Q 0 0 98 -2,-0.2 -1,-0.1 -3,-0.1 -102,-0.1 0.265 360.0 360.0-167.9 360.0 50.6 -31.4 50.4